#METABOLOMICS WORKBENCH huntermoseley_20200821_191501 DATATRACK_ID:2135 STUDY_ID:ST001455 ANALYSIS_ID:AN002430 PROJECT_ID:000000 VERSION 1 CREATED_ON August 26, 2020, 10:55 am #PROJECT PR:PROJECT_TITLE Metabolomics of lung injury after allogeneic hematopoietic cell transplantation PR:PROJECT_SUMMARY Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially PR:PROJECT_SUMMARY curative treatment option for a variety of hematological malignancies. PR:PROJECT_SUMMARY Interactions between the donor immune system and the patient tissue result in a PR:PROJECT_SUMMARY disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in PR:PROJECT_SUMMARY three sequential phases: cytokine storm and activation of the antigen-presenting PR:PROJECT_SUMMARY cells (APC), donor T cell activation and effector cell phase. Idiopathic PR:PROJECT_SUMMARY pneumonia syndrome (IPS) is one of the most deleterious complications after PR:PROJECT_SUMMARY allogeneic HCT and is considered not only to be related to conditioning regimen PR:PROJECT_SUMMARY toxicity but also represents an end organ damage caused by allo-reactive T PR:PROJECT_SUMMARY cells, therefore making the lung susceptible to a two-pronged attack, one of PR:PROJECT_SUMMARY which overlaps with GVHD causing other target organ injury. IPS results in PR:PROJECT_SUMMARY mortality of up to 90% of patients. We will use a murine model of IPS and GVHD PR:PROJECT_SUMMARY which is well established in our group, and in which disease evolves either PR:PROJECT_SUMMARY across disparities in major histocompatibility complex (MCH) class I and II, PR:PROJECT_SUMMARY minor histocompatibility antigens (miHags) or both. Metabolomics changes PR:PROJECT_SUMMARY following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine PR:PROJECT_SUMMARY storm phase) and Days +42 (cellular effector phase) are compared to baseline PR:PROJECT_SUMMARY wild-type (naive) controls. Prior to analysis, naïve - and experimental mice PR:PROJECT_SUMMARY (N=3 from each group) were fed with semi-liquid diet supplemented with tracers PR:PROJECT_SUMMARY (13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively, PR:PROJECT_SUMMARY feces and aGVHD target organs (colon, liver and lung) were collected from all PR:PROJECT_SUMMARY groups and further processed and / or analyzed. We expect to reveal metabolic PR:PROJECT_SUMMARY pathways affected after allo-HCT which contribute to immune cell mediated lung PR:PROJECT_SUMMARY injury (IPS) and will potentially identify different metabolic pathways in other PR:PROJECT_SUMMARY GVHD target organs. PR:INSTITUTE University of Kentucky PR:DEPARTMENT Markey Cancer Center, Hematology and Blood and Marrow Transplant PR:LAST_NAME Hildebrandt PR:FIRST_NAME Gerhard PR:ADDRESS Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer PR:ADDRESS Center University of Kentucky, Lexington, 40536 PR:EMAIL gerhard.hildebrandt@uky.edu PR:PHONE 800-333-8874 #STUDY ST:STUDY_TITLE Metabolomics of lung injury after allogeneic hematopoietic cell transplantation ST:STUDY_TITLE - Liver NMR 1D ST:STUDY_TYPE preliminary data ST:STUDY_SUMMARY Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially ST:STUDY_SUMMARY curative treatment option for a variety of hematological malignancies. ST:STUDY_SUMMARY Interactions between the donor immune system and the patient tissue result in a ST:STUDY_SUMMARY disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in ST:STUDY_SUMMARY three sequential phases: cytokine storm and activation of the antigen-presenting ST:STUDY_SUMMARY cells (APC), donor T cell activation and effector cell phase. Idiopathic ST:STUDY_SUMMARY pneumonia syndrome (IPS) is one of the most deleterious complications after ST:STUDY_SUMMARY allogeneic HCT and is considered not only to be related to conditioning regimen ST:STUDY_SUMMARY toxicity but also represents an end organ damage caused by allo-reactive T ST:STUDY_SUMMARY cells, therefore making the lung susceptible to a two-pronged attack, one of ST:STUDY_SUMMARY which overlaps with GVHD causing other target organ injury. IPS results in ST:STUDY_SUMMARY mortality of up to 90% of patients. We will use a murine model of IPS and GVHD ST:STUDY_SUMMARY which is well established in our group, and in which disease evolves either ST:STUDY_SUMMARY across disparities in major histocompatibility complex (MCH) class I and II, ST:STUDY_SUMMARY minor histocompatibility antigens (miHags) or both. Metabolomics changes ST:STUDY_SUMMARY following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine ST:STUDY_SUMMARY storm phase) and Days +42 (cellular effector phase) are compared to baseline ST:STUDY_SUMMARY wild-type (naive) controls. Prior to analysis, naïve - and experimental mice ST:STUDY_SUMMARY (N=3 from each group) were fed with semi-liquid diet supplemented with tracers ST:STUDY_SUMMARY (13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively, ST:STUDY_SUMMARY feces and aGVHD target organs (colon, liver and lung) were collected from all ST:STUDY_SUMMARY groups and further processed and / or analyzed. We expect to reveal metabolic ST:STUDY_SUMMARY pathways affected after allo-HCT which contribute to immune cell mediated lung ST:STUDY_SUMMARY injury (IPS) and will potentially identify different metabolic pathways in other ST:STUDY_SUMMARY GVHD target organs. ST:INSTITUTE University of Kentucky ST:DEPARTMENT MCC ST:LAST_NAME Hildebrandt ST:FIRST_NAME Gerhard ST:ADDRESS CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536 ST:EMAIL gerhard.hildebrandt@uky.edu ST:PHONE 800-333-8874 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:syngenic lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage72']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.2769; weight%units=g; lineage_4=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.2978170715225778; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:syngenic lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage64']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3483; weight%units=g; lineage_4=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.8340488686911995; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:naive lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage63']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3664; weight%units=g; lineage_4=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=1.6441784321516473; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:naive lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage61']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3792; weight%units=g; lineage_4=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=0.9698575961126314; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage67']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3718; weight%units=g; lineage_4=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.1018298457977784; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:syngenic lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage70']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3851; weight%units=g; lineage_4=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.28991116453120014; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage73']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3884; weight%units=g; lineage_4=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.5694947367563199; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:naive lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage62']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3831; weight%units=g; lineage_4=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=1.2532242979132797; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:syngenic lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage66']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3762; weight%units=g; lineage_4=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=0.7304291414016; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:syngenic lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage71']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3842; weight%units=g; lineage_4=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.0584918601501316; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:allogenic lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage74']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3936; weight%units=g; lineage_4=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=0.35634743380940803; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Treatment Protocol:allogenic lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage75']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3895; weight%units=g; lineage_4=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.1606039340615675; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:syngenic lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage65']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3869; weight%units=g; lineage_4=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=0.8729838077879587; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Treatment Protocol:allogenic lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage68']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3729; weight%units=g; lineage_4=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.6422993603789873; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid SUBJECT_SAMPLE_FACTORS - 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Treatment Protocol:allogenic lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage69']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3898; weight%units=g; lineage_4=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.507104667608952; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid/fid #COLLECTION CO:COLLECTION_SUMMARY Mouse is sacrificed and tissues are harvested. CO:COLLECTION_PROTOCOL_ID mouse_tissue_collection CO:SAMPLE_TYPE mouse #TREATMENT TR:TREATMENT_SUMMARY Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest. TR:TREATMENT_SUMMARY Mouse with no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest. TR:TREATMENT_SUMMARY Mouse with syngenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest. TR:TREATMENT_PROTOCOL_ID allogenic TR:TREATMENT_PROTOCOL_ID naive TR:TREATMENT_PROTOCOL_ID syngenic #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen tissue is ground in a SPEX grinder under liquid nitrogen to homogenize SP:SAMPLEPREP_SUMMARY the sample.Tissue is frozen in liquid nitrogen to stop metabolic SP:SAMPLEPREP_SUMMARY processes.Protein extraction and quantification. Polar extraction from SP:SAMPLEPREP_SUMMARY homogenate, lypholized, and frozen. SP:SAMPLEPREP_PROTOCOL_ID polar_extraction; tissue_quench; frozen_tissue_grind; protein_extraction SP:SAMPLEPREP_PROTOCOL_FILENAME 4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf; 4D_17Jun4_Fan_Prot_Quant.pdf #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Agilent 600 NM:INSTRUMENT_TYPE Agilent 600 NM:NMR_EXPERIMENT_TYPE PRESAT (1H1D) NM:STANDARD_CONCENTRATION 0.5 mM NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE cryogenic triple resonance HCN NM:NMR_SOLVENT D20 NM:NMR_TUBE_SIZE 1.7 mm NM:SHIMMING_METHOD gradient shimming NM:PULSE_SEQUENCE PRESAT NM:WATER_SUPPRESSION presaturation NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 15 celsius NM:ACQUISITION_TIME 2 s NM:RELAXATION_DELAY 4 s NM:BASELINE_CORRECTION_METHOD Bernstein Polynomial #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS normalized peak area NMR_METABOLITE_DATA_START Samples 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Factors Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:naive Treatment Protocol:naive Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:naive Treatment Protocol:syngenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:allogenic Treatment Protocol:syngenic Treatment Protocol:allogenic Treatment Protocol:allogenic AXP-1' 13C-B_1 288.9100749115619 414.2771687418139 506.4844695041939 194.927759141795 413.8407948570814 542.3019765958197 440.2218265264887 483.8030504913942 520.26505592174 620.7881823682318 760.0132338063871 712.7942424520946 650.7311824621141 434.5982668802368 445.0957922256806 AXP-1'_1 162.2400027373961 205.0609362066749 341.7695447568976 122.2970950809804 183.1094961119508 231.8599730403627 136.2398149960773 220.2418078849016 288.9601818158228 281.3374161610929 134.5025047263921 199.2159942836457 336.9252746854179 274.7305572752541 340.6279783329827 AXP-1'_2 335.0451822247356 831.4642175337673 584.4829973131806 476.5865743185377 871.7398418513252 709.6669507057386 647.3929086030971 578.9953994871893 855.7044169882885 941.1172693163999 729.5494295727007 717.7001434374606 697.7444256806508 625.8814645610554 463.6455347028392 AXP-1'_3 199.070858352714 513.5813592266666 394.7957365166963 284.3564939139602 512.7887997140714 556.5257755763133 344.5072812649531 230.2912799876429 658.8561698262251 764.196601471555 374.2815751619601 42.59955349836623 743.005309772351 255.6943189605803 358.131235616966 AXP-1'_4 677.1675836620956 606.837298733876 342.7328346206292 620.8096018430535 632.9674914550335 AXP-2_1 636.8814581138948 1048.946973829415 1313.023063617737 181.5402559752682 299.4059517986494 1098.591775300119 209.7842087646573 1122.747662671222 1296.917166108899 1475.620509153606 239.4339893540213 328.7823359118069 1260.541613098312 255.7359482959334 1151.386870540774 AXP-2_2 454.6297419671242 768.5321102181395 194.4001536903711 517.5002997861144 252.0938063037169 558.1861320314729 954.8051150299809 AXP-2_3 280.2070688976466 AXP-8_1 285.5598287506137 1063.848492577281 1172.312456151704 397.7699522910689 785.4843641122033 1003.70925935184 508.9094065061693 1194.411429684795 1316.797419146571 1587.628150596789 609.7116103625469 673.3721635683002 1109.795876630039 865.2056545385191 1077.984273740185 AXP-8_2 185.0880498060378 339.695566823746 317.2546088245549 422.5883352003906 310.4179093917174 350.2316544882079 Ace-2_1 22.66292748692099 183.7401626552515 160.5969856514707 122.6984339203575 182.6455873307017 212.6485909907186 274.2941317999307 171.6297867556562 215.4294380427043 260.6684034121764 281.8672896445486 252.0750555568522 206.2723789162485 230.6928574787951 228.4760667588242 Ace-2_2 15.77895473610179 Ala-3_1 338.5746206942877 732.9418253881295 489.7942945498435 417.0521243549278 336.8766631338143 380.8920057494856 450.4823164299871 401.0341496991477 646.059480864186 711.971730014945 317.5044504137502 467.84611181026 463.0132193643897 535.7601572465513 572.8307817032654 Ala-3_2 304.7612682019501 730.3966846208092 467.8501794073262 403.6857600661683 347.8746997826196 439.4529702763178 451.2427412456132 405.8421766138727 840.0065592702258 690.6949668939723 416.809433604557 592.3903296346888 428.1539605267214 526.6721757359346 641.8167508187926 Ala-3_3 626.0391613376099 Ala13C-A_1 17614.74215790486 136.1913452862661 176.601458296884 89.97302854949959 63.56269064520387 121.6253901620779 100.8811241082621 179.6009407548197 359.1954452589541 168.7967802497933 144.242666245871 219.7914182093529 167.8274066895378 103.2284477955644 105.5668693013563 Ala13C-A_2 33744.88396753476 317.5393019488768 374.4482120410978 187.5402987184626 227.4169283571041 286.8080829234698 242.6931490777487 399.3023826629542 787.928501080217 398.0780270373432 326.9446515391499 507.9027812749306 359.0562521401797 246.6184559295738 311.274928020398 Ala13C-A_3 170.9479017281299 152.6890062366681 206.7840018583047 98.73491737616304 119.527688288418 153.6716759699504 119.5335986274573 186.2807977877262 703.6318155960367 202.0029410290872 155.0952498516138 263.2346862491918 179.866364177353 129.1279421704718 129.3533481271509 Ala13C-A_4 145.013431156417 182.4916292535488 109.7078612090975 93.70318246518381 128.5970269313281 120.947585171861 211.292757825581 1025.074936234599 186.2062227109699 169.1245433295392 243.9230850941591 185.5117861621561 131.6096879307751 135.5713742170853 Ala13C-A_5 303.4983935818224 409.4484605846582 219.9097740002501 263.0048401034077 320.7508673547386 237.8786512907401 413.7454384684582 327.8417025057581 401.7165554746402 331.772657427672 511.1610854398122 397.219885074127 278.6124561428237 332.6100494620695 Ala13C-A_6 122.4327033032237 175.8802025987547 102.8844986674803 74.73897169935002 136.2237535469956 100.9561530264816 175.2137588644081 160.887199146866 133.6529091809028 213.6360701303248 170.3781951141927 99.32298663423528 121.5894677061271 Ala13C-B_1 435.6319699365499 117.5336658812447 164.2626332337976 93.79492964075989 80.0214335641628 113.2558951376533 99.32737940658821 174.9812057632363 367.5957855797355 163.009199290837 129.9165167019715 208.3175053755936 146.6794108998222 87.4241966989656 102.9960001405073 Ala13C-B_2 636.6599848440093 312.3227563176313 400.6727488414379 240.5273851638529 280.9981515104774 307.88934456727 272.6711284236745 447.1437932710749 847.9927469695082 456.307090380438 330.0277826101979 519.5596819740576 404.9490815505383 262.1239287066393 320.423378684355 Ala13C-B_3 625.9041457742226 109.204784574131 192.2298404228137 105.9795915521841 106.5418129730465 131.1034261672725 115.9561489684108 178.4954043119733 600.0381764970432 170.8891450876411 148.9297962159739 257.4839288423325 152.7925964421379 117.3691624571273 147.5884152994208 Ala13C-B_4 66945.4329316676 121.1111716544228 192.4006094700823 107.7446138207552 116.7453727443788 147.0509518489756 129.8486784111497 216.6619515416569 1074.07297929748 194.5389614927727 186.6282001085426 264.4117544741621 204.3955359840103 134.5740735079287 143.1462471091468 Ala13C-B_5 312.3878526368491 427.031090858296 238.0613044593758 292.1396124453108 334.4336427208424 266.5165142247787 469.2495266968262 345.3583878525671 468.8107883057284 355.1136600190298 519.8654389747995 427.8233027514128 298.6154950442829 394.8891582115385 Ala13C-B_6 116.3439450952714 172.5349872392542 101.6610271295943 94.22834941203804 129.1943562237662 111.5293821986609 203.5622681234164 175.5512042551962 151.0300156635448 225.8109724814811 193.4861718652076 101.9660124030284 125.7869513376275 CXP-6_1 138.9128412137266 238.5939779123798 317.6931388359125 173.2618658422012 195.4684735631696 229.3817838083683 145.588626651314 406.9294400956643 295.8951085553637 397.4049251796411 143.199962689678 173.8586336893267 339.0400400950747 199.9669903603087 212.6166050245074 Creat-P_1 121.371109 144.8481396666667 217.1047743333333 120.2167543333333 196.3300433333334 184.4585343333333 139.0008846666667 188.299695 259.2356036666667 200.2211843333333 139.3589146666667 211.266908 212.604334 218.063857 248.8822603333333 Creat_1 117.7582756666667 126.0647703333333 132.5004526666667 129.691136 97.93770066666667 125.006843 71.31199 99.35591866666665 142.4214416666667 77.26359366666667 109.0284833333333 138.08964 129.5432496666667 85.80358733333333 163.310945 Cys-3-GSH_1 301.571693779053 420.1708058319132 397.1984350508303 216.2925059496834 607.6118598428325 559.9527352191062 408.9878008624444 402.5842376267498 535.2674776780103 847.9802189245976 616.425732377332 529.4609382053563 602.7838870386761 378.5310599600328 523.759330404384 Cys-3-GSH_2 297.4158660001802 142.862879704547 63.97613030560474 90.39586708114886 202.7278733218392 270.0560496654491 123.0644604775081 103.0354272139849 262.425908045954 317.4065635609265 247.1868715173461 276.6722744176988 258.4947798018332 313.3964167500311 123.7896452735717 Cys-3-GSH_3 346.6677386012221 429.704782335457 392.8983147812697 204.9758788703421 568.8687693036487 559.9535684303962 421.9420697873811 411.10681848936 500.9481486512322 862.2525582445943 666.3270194143589 557.6963179739687 603.6544145960673 378.3636344113865 551.1887743178536 Cys-3-GSH_4 349.4820778774863 445.9964112290605 415.4314450309549 218.1690473420622 624.1651326871363 586.5341898668835 439.5741127823306 423.1185439108561 546.0357806872535 897.0445941859515 652.0080323355029 547.2131550904107 641.2155723103709 386.0342588209085 624.1042452876883 Cys-3-GSH_5 324.1712842064035 334.4646644794218 158.0480912803066 441.7048380193737 399.0371614184372 320.2403562188343 320.2740403859416 375.6443001650075 767.6216533155074 397.5035524401886 342.4981375814834 381.2054099869589 437.1805904308146 DSS_1 2656.495015655647 2694.545008067063 2609.217692815653 2633.007824505462 2622.520663924191 2637.258267729042 2426.110228948192 2614.085663991165 2658.352107143876 2627.424044777494 2537.750166908417 2606.339539144958 2711.812820640244 2613.922139047246 2792.9473731395 For_1 154.9598062712976 94.61643055998637 220.4376462022004 61.58607796928575 89.10202886532605 81.37147133826541 94.11462180220737 95.99546556303741 192.7843185780517 117.3941089177137 89.83538146030997 84.83999318648411 84.95927595528599 132.0563107972242 110.7022058936045 Fum_1 12.45821694542949 19.00433905234298 13.59520597118534 11.61114146987637 17.08645409536711 11.79091916578132 11.8397058174125 11.21755397961697 18.76763015532529 20.05639225711241 10.54854530699239 15.13162526231103 17.0488162011695 26.32094945388964 25.15327473538768 GSH+GSSG-3_1 421.2813720173624 713.1813747184885 1052.475058086979 306.4860903661749 1351.201131248466 1167.946460265813 1001.950945871033 720.7887406257576 816.0252726184515 1800.768289474986 861.5243931805925 895.4740570396365 977.9876154515345 950.1587117744835 1153.217660036124 GSH+GSSG-3_2 1031.858311962583 1179.487099566438 1044.172971680098 515.3957266427776 1263.964187782938 1460.853295056437 1030.267920860187 982.5303392696078 1334.829690352285 2308.871411243482 1096.076424384264 1078.316475829517 1444.435702393615 999.6676397989575 1240.540281222702 GSH+GSSG-3_3 483.4199956565146 1139.563487647767 1155.682021999512 498.4021572606048 1383.881808369759 542.3602568155654 1009.212136216614 1089.705742060395 1213.755729453931 2141.976959199212 1171.989458265 1151.140579868483 1353.596689831626 949.0535522735997 1559.80290910267 GSH+GSSG-3_4 770.7175300393818 324.2145882338294 245.2803128965112 134.9922858496886 382.6763285204455 557.5282270826739 249.4752771412685 143.9790830394716 423.968188630897 521.268777574051 335.5684701374242 226.6968524171899 371.0560301281251 311.2621175230158 379.1214578757384 GSH+GSSG-3_5 343.6473454355517 75.5287646093148 419.5841816557465 71.40450220256045 GSH+GSSG-3_6 201.959519976815 GSH+GSSG-4_1 43.47616146074895 35.39780100938576 43.84730154638726 14.74356272767941 3.004995782131977 3.36621203000163 27.26586959156306 29.51850311703847 66.27503491873448 7.50477392670173 53.47381714389122 125.2132456916748 43.03901529536059 3.63679105645904 2.957249578858772 GSH+GSSG-4_10 34.02403156284941 102.6712079175832 14.03016957784419 10.24362530513893 66.49681477521662 15.1385297646659 40.51724005737245 34.66733374368889 93.11212175135746 GSH+GSSG-4_11 45.27308741871687 9.490639236232902 12.87986703197794 3.93439453501911 15.22628453143665 39.1229325608841 GSH+GSSG-4_12 13.024830530859 7.932702626664537 9.830147619280563 GSH+GSSG-4_13 11.51144377872661 GSH+GSSG-4_2 19.82634611998609 111.5250336247918 42.41894459389722 46.74381485587172 34.58105647244362 33.77602769318558 74.00042303487479 43.10653992269129 82.59143977030129 67.46164763516016 39.8783465400337 44.00273110341119 49.70696915967044 44.58342991966822 44.38050033845515 GSH+GSSG-4_3 107.0216719415728 170.7011196179561 87.12180172482311 71.50419077685636 100.0831702300427 25.38055997979074 127.3716326055313 72.52846282520939 98.06426851538474 31.50224835875683 89.7059119052755 86.96495507881207 96.249769741944 110.025655512598 30.38438533693071 GSH+GSSG-4_4 167.4105379653514 197.7680051739773 160.8146986282347 80.03424159906871 182.4484804234428 92.4421664255758 152.0157707585374 134.4164098398543 189.4968467632407 166.1876466866596 108.4991216564791 29.62247555096139 169.0420800745153 194.4811767468514 122.1676149485526 GSH+GSSG-4_5 175.8540627598281 283.2518244109382 191.8559331880403 137.9845932497676 218.4211116607117 156.5815372980304 249.1449205857431 137.8020257947039 209.5711050227674 293.2529605482554 47.07080602046598 109.23032564948 233.6863819198106 186.1074767786537 212.0973898298198 GSH+GSSG-4_6 164.9399640894714 206.9880142971148 234.4027055052203 100.8881371976703 277.8694432505746 219.0659991527755 132.8027531739568 229.9202965849263 373.6837239371789 336.345806071024 248.7629663412637 59.9356564055967 369.0293791057005 209.5850569222683 246.2420323001407 GSH+GSSG-4_7 95.33685124070205 83.21581832941796 136.2340834560439 36.0887481659141 225.4923138486095 335.2919444864162 58.04425887716196 122.414300356296 232.7789677171521 556.8081177841457 151.1777358169396 308.5152928417681 27.10201633524297 19.85140189261326 268.3984726474486 GSH+GSSG-4_8 47.27916840300958 34.15613559417858 68.1941965227512 14.94801035752527 186.3956344330774 35.08869487005679 16.46877485229388 62.37996971321662 92.06981762513932 378.7025133123644 53.52208757335713 188.1622377448269 275.1628670793597 97.93916689024914 262.7185820240836 GSH+GSSG-4_9 20.98807451479198 9.559957712580795 33.38516083316743 5.381528005829914 82.72803212161703 232.3098402642212 27.63757372309471 44.75329782289562 151.6176088870564 14.34708458826241 58.98662749941488 107.7700133913922 55.43130226049596 184.5597508019527 GSH-8_1 30.14685 158.701956 72.796701 66.845882 179.204451 315.587963 119.253415 112.211636 242.993843 347.507119 236.455787 297.087065 306.115839 137.29277 GSH-8_2 86.12802 194.834949 93.412393 241.516185 225.690294 337.3224 155.421828 134.428979 338.784358 412.642369 265.10434 348.204111 341.276052 155.381089 GSH-8_3 190.636984 84.214449 79.102034 230.851965 357.049066 164.354875 123.453171 294.550208 376.720601 303.493299 363.633532 332.466433 173.265828 GSH-8_4 230.215989 106.704846 264.183593 374.473721 121.538862 153.722204 357.292349 496.241584 279.810099 297.246313 322.463444 167.355507 GSSG-12_1 80.01643697277416 GXP-1'_1 41.35242041190293 117.2568545039387 207.1107486444398 49.06365037716552 95.23561622060515 92.28607777570454 50.88790283057793 125.0058595987204 127.0856177121785 240.7685663881572 75.92775930691876 83.80980332677206 134.7605264274847 128.2765111338605 103.0410864940509 GXP-1'_2 19.44363895017376 63.07489757222617 55.42301572517696 36.23683115273352 82.63207740472565 73.08812133543812 47.2450281869753 64.36733621067383 63.75679269598994 90.00413362996721 32.56565426239152 44.16461679109732 51.39185950261775 88.60669054891919 101.0382157137571 Gln+Glu-2_1 2605.420659944427 2949.123258372691 3719.136167438999 140.2620920690864 356.665784601191 2592.436034568845 245.9589074128191 2874.388295703612 3181.490023710187 3463.713977426425 299.8828290623359 300.5567783152206 3158.702537501556 470.669766901897 772.7153833227914 Gln+Glu-2_2 4378.040767414449 1846.460648361973 1851.789663937549 1046.077099272843 967.3073437803969 1641.226503209869 497.0890615690318 1502.40510606241 1989.661838128175 2587.779163308093 675.9312079726511 882.8160158096078 1697.604508113968 985.389793216499 980.0757150152766 Gln+Glu-2_3 2745.828568103016 382.9157532931907 665.5487058824066 778.6107466851222 1414.657857380247 4856.040469533187 585.7520161059927 3316.19160816839 4111.216144059054 984.5988142014356 502.5574003316967 967.8515074372981 4137.440283271842 1391.258404918623 2037.39177782159 Gln+Glu-2_4 2889.817680109863 2727.079280189104 2129.174596845748 1542.193904773613 161.1656332118741 2914.061287604292 1290.768765276446 3956.061726080456 4736.891967908882 3885.120982720426 1483.258638958169 1219.835465586494 4375.789117481732 111.5576830683219 88.08332293101164 Gln+Glu-2_5 737.9728323539825 4325.267343123002 4758.928241591156 1998.396118502776 2039.818059952927 2285.74210670768 165.0423245300284 2029.033926653447 2813.875833090819 4818.38285407265 2632.893669125264 3491.02388902861 2714.731433966602 1257.759417664759 2734.199978108895 Gln+Glu-2_6 2065.731420959157 2126.378517131626 730.3688079239869 2224.239513524061 1976.915847322284 2786.298169209831 2183.01848174769 2318.131794512682 2386.13844591577 3282.033998402254 Gln+Glu-2_7 597.799057196547 1988.000269213579 1118.080985422691 1094.884226244959 452.5180889285405 995.9785090917044 Gln+Glu-2_8 784.6845700842986 Gln-3_1 24.29922713598537 55.44580843178085 410.0365153554722 60.27528276710635 529.062328331768 532.9504815033335 40.28857931905561 111.5687614069185 326.896648543393 884.954655086292 354.4376108789771 360.0018048004781 346.8140523601705 461.6314721281215 447.3383194579122 Gln-3_2 69.7665103381653 358.9408507762024 165.8914483182517 198.0173848495074 297.0272873689771 Gln-4_1 109.8047727216057 93.1338848592084 131.2513886951733 43.7906857135572 172.9034322397679 166.4034627101742 114.172473035979 92.7036697108867 95.13537209283396 244.8134893527544 82.13820595642427 89.47478677150204 142.4699124811482 165.3531544820949 129.9435562577968 Gln-4_2 2634.810207918226 10.1798262345792 19.80265201480017 176.0816245806104 20.64799897825202 658.6640677929946 13.61329575421886 24.83362198341142 27.8367723822819 990.3295378548255 64.7580822729707 49.69469879610939 38.69387593187447 661.634739970058 16.31669094928681 Gln-4_3 390.5850612186073 348.8035568166645 508.4392508037344 161.1415335536778 662.3522412998913 566.1846817763862 546.8130102517383 425.2928016638866 389.2386768395148 840.5618607124978 431.0923610517548 469.6253672082353 607.2063450441264 47.98520881225722 583.538773854878 Gln-4_4 194.5535770744494 379.188583965363 71.36986056290958 50.07416915744216 156.0593676852618 151.1476674698591 353.8009697702496 68.40096557095683 95.43621878098935 177.7869190387989 275.9745716223237 224.7080519762931 88.19431648127149 418.6703939094543 403.2225058953825 Gln-4_5 262.6761134261433 56.11404873581766 394.1506701527147 56.21125125854142 411.7314488292234 202.9289929224375 163.97575196017 338.1901029079066 359.6084268721065 297.7635403882089 217.299916138333 264.9776498663466 437.5420193608651 179.653614962512 143.9903333824782 Gln-4_6 31.00363153660732 116.8669587013195 101.2948666454062 178.9648709265295 143.2052850801684 93.65577210742893 65.3687906833775 166.7766622542819 131.3992329597494 175.7122960631472 187.6952923932155 149.1155454446748 Gln-4_7 51.90369644741901 143.8879343820716 182.7582566875656 106.7119827778704 109.6097826226513 98.39780830443694 98.46643578596387 169.6523549834754 Gln-4_8 6.848305363807985 Glu-3-b_1 11.26737692085256 65.17504269126256 57.79168744164084 83.97892545255695 39.56271107482153 100.6307680848645 78.37218141745458 43.19703090702445 26.47771769706242 164.3298744011931 67.71873196691963 139.2751247228094 21.87785058773144 92.53585437277472 95.7751840912257 Glu-3-b_2 26.8724079095619 76.61410316408075 125.9820374273298 152.8375702786127 141.9903470543439 156.75721710074 110.5651174810803 90.94561227972896 57.38509711305658 252.0473040579837 61.08944649707016 88.15324076813582 23.55770375546476 150.2984861834084 119.7951880216926 Glu-3-b_3 266.3557477032683 203.3790809155968 204.5762616991427 201.9454568913452 270.5667491804899 273.7240721861616 217.1792900265677 187.0131301024927 111.3538064464663 394.0492574351027 208.4212305691507 241.2992115729623 134.4393775630002 249.9011867099551 223.2658910679559 Glu-3-b_4 246.1799299358776 373.6800181157549 395.3381597332323 590.1270996983427 477.668143607448 356.6848060614371 425.60157405565 256.1513900779664 611.2569342853843 301.5891544500116 323.0058239630357 290.0189995910662 377.1316536145518 468.2732482611713 Glu-3-b_5 436.348543931869 504.4137641301984 882.8875382541016 528.3150233414298 519.6777048790376 577.484363685744 Glu-4_1 70.82440236963757 56.27585787658727 43.98732563440058 61.97962339599227 92.2456330681109 53.30211969509959 38.3598884863658 118.4753616588295 146.1600415233041 88.03865227359923 147.4826823209475 68.66390852786527 75.83406394305696 66.69954758206894 Glu-4_2 88.1651100747214 65.87882792043207 38.88542370297409 246.649508217672 71.51944526139286 52.03314729866472 19.23239810303563 109.4206810605238 113.5501415192059 15.30070484859422 20.14969130060093 93.70701532581006 53.34403855336868 20.83974000170531 Glu-4_3 183.2880261890515 53.29826284323838 52.08580505085491 221.053855501689 57.48554776369156 221.1962149085763 44.95111264337662 75.76516037439195 96.09161895841075 98.68903357688274 149.5539300410849 58.10151058178407 252.9863398425317 86.81841963532091 Glu-4_4 206.434610755026 24.30340535517414 36.00970300547178 73.73242308372363 187.0110325732322 40.3162811419786 62.40867022551885 99.2467722875461 69.75979961530372 95.26123399493284 76.84533024105775 143.2477568200749 62.92933339754287 Glu-4_5 43.20286515687898 97.53845619301202 148.203801778414 17.91928450867499 29.24942123101133 197.3380179936599 230.0565742899729 80.77025910365418 134.7206321517781 60.55131337857754 67.53831581251038 68.79160403985298 Glu-4_6 36.08740673477725 56.37461899847634 48.11497360189132 66.60316219064912 54.5037119118232 73.21918050535487 76.84734463663195 126.8800806261749 63.00792699521845 46.03659016086981 74.14515457051229 Glu-4_7 19.49839124000861 43.61499821188576 43.34249297703744 46.84374656102639 62.67322212932003 43.68877366080871 92.2018804908968 59.16419550782128 52.7327811645797 Glu-4_8 10.83828186592224 86.02906277627925 100.0263263975103 35.66998290623508 80.63873223947984 Glu-4_9 25.23225857323598 63.72011806348168 66.36582550980039 Gly_1 519.6117855 706.5829025 821.0043 473.7365229854926 816.676793 1108.8667415 565.294284 811.49797 1050.689292 1257.005868 587.174936 680.09645 1151.3163445 754.159194 701.6978475 Glyco 13C-A_1 22443.75107260287 41573.8618521161 50169.35127586578 20468.82251823689 11312.46865462888 60770.95297857103 7640.883692176049 54081.62955163095 69786.18927788766 52478.54540348401 7931.984504159121 8377.936930576618 54150.32888727202 12481.09540624109 16108.68953727634 Glyco 13C-B_1 22756.52988406934 38138.16044609393 45885.45918536044 19622.35669929135 12140.36230059284 58047.86250091506 7576.343855188776 51110.19775100912 66799.62148651676 51551.22960805628 9136.243459751095 8912.038970369355 53540.91233821913 13403.63030466145 19369.79770331361 Glycogen_1 871.3074695856315 3524.900715589525 2414.38066616701 1163.220220018436 420.4910444186307 1944.162907098462 505.2056083839194 1941.474453285126 3205.722557722879 2312.482412783987 627.0342673984568 796.7697684319733 2385.030606087523 852.4046843408702 608.572036452092 Glycogen_2 1922.960906600273 4304.162243204337 6819.167546726248 1819.664182454671 2035.098992784006 3812.863379790764 2647.90341183583 4838.107969489102 8056.970721928105 8135.67909312958 2597.694395132682 2464.054967855237 4909.935218847745 1632.643050562695 2641.560829422265 Glycogen_3 1918.788176839767 2962.60637296323 10070.47709592253 3931.507511106353 4426.544839572468 2509.193227978643 3551.192843628334 9638.42719942898 10664.46109700777 12252.25805897102 5294.85042439172 1179.930266800997 4752.282779513905 148.0624292313346 1855.172134246111 Glycogen_4 2638.961404938633 7122.299177402675 6307.081477256973 2505.311168777057 1306.062267094934 5408.499285049212 2391.243717027657 4119.772556428887 7427.622959762168 6356.408545961102 3084.725420445209 3166.246402028984 6877.515655337189 3639.208646981266 2117.457373090465 Glycogen_5 2362.550628431813 7383.215689350976 4080.980981293749 1682.0734755846 946.7329163494636 5014.722125345531 931.8475232436667 3295.620777047314 4448.8688848993 3341.146097417 965.9372003481058 1354.914597624922 5786.868324313315 1863.519659112741 802.2237609803918 Glycogen_6 1244.374032368865 4808.069792935869 247.7083560383198 3705.032854477953 1710.704109794911 3967.934384947629 980.5885983065351 2419.516877372791 Glycogen_7 1878.133351198512 2257.407994899993 Ile_1 196.3301959500907 46.2585064389776 85.42440669892413 37.13416839442768 85.59560203437412 64.9040279304486 39.54702271844905 60.1832142176838 75.43082197900218 70.43665095721745 59.42777778254466 60.22397165127841 99.23790366474067 71.64904525574458 88.87732144673599 Ile_2 22.24913731628319 48.07556871242264 83.54884941884144 40.07270288439296 82.73565041262293 65.62269928620036 41.86456033790274 63.09508488822294 86.4097938036479 70.48005505952541 52.73275186018319 64.25290924911701 95.1342959225184 71.38826141630571 83.65544843009975 Inosine-1'_1 69.81093621594604 73.25951487661563 147.9156078472962 43.56786690380626 111.5935667225482 154.7785228940253 36.08716254671609 121.6903444636485 130.3186129902441 164.9136897882922 22.07219504652232 36.25738149336255 209.012268314676 99.1597752048783 143.2690102434136 Inosine-1'_2 51.68153275872336 66.14067513032508 150.0661318321066 42.03682280466246 117.9039835467537 160.6612380758864 43.68561857355893 142.0565334402434 117.5486864119837 187.1498851952206 31.52590152420951 48.00937425091227 204.0883354685913 102.1543771381636 135.7201667740262 Lac-2 13C-B_1 957.571358 956.473228 92.956542 326.005604 549.017758 106.656354 1158.793172 1306.679122 1616.00888 139.294696 162.053456 995.295686 67.64126 568.832088 Lac-2 13C-B_2 218.878902 541.342922 177.40224 125.793338 743.331854 256.843862 556.227404 769.42718 716.31509 333.520412 393.342206 557.372668 172.61863 343.923192 Lac-2 13C-B_3 488.98391 1128.436486 363.533724 370.935778 430.122012 507.041722 1196.572836 1350.831982 1049.899698 746.75315 876.640316 1151.557608 531.757742 546.426358 Lac-2 13C-B_4 476.527228 968.94991 319.675086 295.921386 897.289184 458.12712 1064.358684 1463.159784 1049.162432 752.418942 809.344592 965.27034 395.104232 552.721248 Lac-2 13C-B_5 255.050036 934.354806 227.949844 208.972606 759.219982 444.685496 910.1437 1296.774708 831.408626 711.243036 863.507194 796.23014 304.024786 533.66524 Lac-2 13C-B_6 174.164914 759.831348 140.75578 187.782778 736.761226 286.66876 713.969762 952.010646 778.006432 481.625582 600.18328 817.953116 214.657554 440.549572 Lac-2 13C-B_7 123.413374 631.158824 552.23854 436.361748 744.649212 408.23803 1208.578584 759.644762 321.692956 580.269088 708.660582 567.638072 520.515672 Lac-2 13C-B_8 168.796 172.738502 555.932598 1892.570828 309.905024 2512.716442 2360.857072 121.022106 1636.78523 1552.96863 Lac-2 13C-B_9 687.266022 928.115346 Lac-2_1 153.436057 196.731511 209.848267 146.673464 250.241576 251.31408 289.006847 82.329823 1112.063664 265.147528 244.533758 293.833807 524.121982 291.868416 422.39069 Lac-2_2 56.38 619.931168 742.971823 491.701355 466.492516 444.213782 653.81368 535.658755 1268.923001 1170.77509 677.778148 779.691857 616.570654 654.033638 581.714634 Lac-2_3 544.474683 689.380217 728.898195 499.105157 681.597828 582.051037 747.730259 616.094563 779.280542 940.764951 806.986128 845.925163 638.961079 913.414383 865.17813 Lac-2_4 172.211443 258.070545 271.536008 186.215621 242.228866 205.172312 347.677498 227.085094 281.650258 330.440449 392.318681 316.917935 256.044323 351.222114 357.004634 Lac-3_1 59202.3402480672 1567.815591559703 1618.268695524099 1117.757405098873 1237.90411820266 1346.476545074516 1715.599936041016 1442.515038995818 1837.762851324396 2282.228362721869 1303.165621158502 1901.236129747427 1510.682354159966 1729.197554313595 1509.33757780022 Lac-3_2 28751.21382753109 1597.855302814756 1629.870017093654 1122.527746962256 1373.677670018568 1368.593567535211 1740.506884274652 1383.858974131706 1706.229169707178 2080.422543622835 1540.919341046101 1913.778453400514 1561.880146415862 1735.668840132203 1900.467196473582 Lac-3_3 27053.87516442313 Lac13C-A_1 69.56741216821514 286.9100723723051 630.8590478863331 254.23910790554 378.1995457601284 501.0309672580203 467.5810922763555 686.8572724048827 834.6503563105694 571.0123130879455 596.7389624155421 782.9429827623634 651.6605566978837 418.0463685987111 422.8962704107415 Lac13C-A_2 304.9096089548195 614.146331795833 1453.65022576989 509.6257048717719 49.29733549204024 966.3219345119657 1021.907040464228 1489.866427616709 1962.033912279164 1284.983854283021 1269.701415848886 1552.108038325654 1224.892818095863 82.99496941169753 1052.537621850301 Lac13C-A_3 603.0970165194232 256.1097423361451 563.9990333356704 265.4552430887758 765.3976801918967 398.8495375784171 474.290610002423 572.2923200870076 801.1431978797127 487.8897789595556 642.3240000106268 772.989711431875 536.2992295523271 851.5174111976697 413.1234680951241 Lac13C-A_4 288.6296230762484 264.5416264654918 710.8560947894339 237.876740731479 397.3883493887358 473.0583568261909 507.9388913783122 785.8253225511859 1042.907584319373 593.3265677926682 642.1766841270081 728.5978806813049 683.993208181009 460.3590994546823 393.3649908020338 Lac13C-A_5 283.1524125823872 591.5598203950431 1397.977754340311 507.2424534617039 389.9172273340073 1000.374201253504 942.3996534584195 1439.041175943036 1873.438344327101 1247.679115081273 1308.54997369844 1589.22412755193 1277.411105818203 478.9962674628349 1104.828099129323 Lac13C-A_6 697.855634801624 235.3344284791875 562.624651857552 209.6029341377738 757.3366501907714 429.2939555548533 49.04146268501242 625.6177663313154 755.9993654472042 479.5736024344923 603.9508147562095 655.598564765257 567.6413142590544 890.0339800165607 383.3804360828406 Lac13C-A_7 1617.269101328123 78.87964750711684 418.4496479069753 77.30483352306938 Lac13C-A_8 290.9164297521237 345.1698246904596 Lac13C-B_1 239.1314530368307 204.2581185817854 564.8058419767746 223.0703639669564 308.678467061831 363.9751507183656 399.3037650695417 598.5273393880623 814.4420849928766 515.3530967908783 545.7316466320634 650.4915763750613 499.0397544858687 349.9303227665171 344.1404609072997 Lac13C-B_2 491.7159857295922 595.4307274070685 1385.384074602212 526.1967497003836 821.6840997827395 1002.88317148789 978.5139923382158 1472.745568753773 1947.34774097523 1280.093853976088 1262.11816561766 1597.133491188114 1249.943255527232 101.5398707089729 1046.717802190409 Lac13C-B_3 223.0227090782796 231.3084613109627 567.9327029438034 255.7428817939438 327.4286456814232 447.0470621721824 480.0129647565249 585.5211253910635 870.4109287762882 475.0405157680407 613.6041638027497 700.6301472010979 589.3872374042818 843.0204150129402 397.9691108666848 Lac13C-B_4 198.3404330613456 246.4749892526071 732.7027538181088 260.5989884534594 405.1138262230786 429.5285680335551 465.8208693861902 727.9783126373278 973.8363995324675 659.8724058448855 657.7056364003288 809.9249245285514 586.7913880006847 467.1151151031315 370.4841158525214 Lac13C-B_5 476.2055108193096 633.4131159675491 1419.925120356509 541.8265509609364 739.8290065553605 1050.004661797099 1038.912759148994 1469.51442155597 1936.29890987673 1258.671010063217 1300.345525682248 1595.39954522875 1331.743724373695 454.7015779223356 1104.2143827053 Lac13C-B_6 233.145879051553 230.3944315177791 584.9667578212243 229.8539759831354 276.2348402954203 410.8865414253617 407.0206969619853 610.8607772351585 806.2920604137734 484.5004425116206 584.764360354038 651.7434015047028 569.2212570638968 888.5001572641678 403.7466854689175 Lac13C-B_7 91.51912718266821 Lac13C-B_8 342.5912674847827 Me-His A_1 213.6094638131405 260.8682516250392 262.9670565576268 141.693232885655 308.5942625631554 242.1837871663306 187.3534793922042 243.651611900695 297.3019611687744 319.8675008065965 228.5394328720288 240.3392470686592 276.6437463440189 235.7571434657373 277.5081612049075 Me-His B_1 172.3749183971003 228.8109373248664 146.7825373707359 109.0213480552114 145.112534092953 192.6978702033326 121.126693167906 183.9986389692384 253.2920642136778 262.7410943589317 105.5102182828212 117.5353971977375 201.9292964910064 107.7723742242548 143.3986206251272 Me-His B_2 113.793843885352 121.4199560875527 50.94560531180544 106.4747450631937 98.8549602999853 107.3225892363278 124.0493562975106 NAD+-A1'_1 96.16929228678319 185.7077353211166 247.3489970056795 105.9500995989332 141.4817102900816 154.449227582047 97.106294318711 230.3918670544338 221.0704898620453 281.206921638547 71.6081814177102 96.71538823745998 232.2167750173577 142.2747410814832 127.8311454092309 NAD+-A1'_2 68.74423187407108 135.6979280412153 180.9671005019948 67.62086062199376 79.98601764273663 124.0542695533648 69.33332849200015 183.1267302203242 161.5259068411683 217.044788906558 62.00313076364907 77.02838012062924 183.1023778744274 99.50031082744488 98.93894884494026 NAD+-N1' 13C-B_1 337.9972385037658 NAD+-N1'_1 55.5743547805596 134.0639976984659 182.8235039609618 64.55091683035197 62.51034935571531 124.421750096676 69.015079254845 176.6236287957757 151.6299411682797 232.1129256874432 14.53409544567567 52.35027895432315 166.4954280657876 80.42548645034863 73.7838038069871 NAD+-N1'_2 81.44727636198024 122.878373530507 167.6519441981329 83.14336131002146 93.14011133370238 122.2450836712584 63.04915781885293 160.1568613850949 142.0196830261385 226.4271025830392 32.35478620612015 39.24702988913715 193.7319534058254 102.2721208699419 75.57281706363507 NAD-N2_1 234.0544816030606 359.3677546325546 457.9786063615567 213.5562922630435 259.3358458224762 353.4797632005745 265.576039328299 511.4566140719712 438.0805609218154 630.3388625587522 243.4141960311528 288.5755688069923 541.9005419059821 299.7064030119325 301.7611468599501 NAD-N6_1 120.2936065324794 185.2010217374096 295.6141992718073 124.9511954978929 133.4220348920351 188.8690034507138 116.6173746843213 303.8119948603459 256.6091836494077 371.8207081484975 108.9269029730504 132.9533628114487 297.5337206423645 157.6651236641179 128.2941279893847 NAD-N6_2 126.9608048433194 179.1023537631536 269.3402673071456 122.7710046457135 132.5842512344864 195.6889248312748 139.0688090926181 259.6523580880199 256.0099139013498 346.9759737378238 126.5997761526207 170.8320860531948 297.5733532906608 138.2778588287752 176.4839886495972 NADP-N2_1 63.84046632162938 148.3312227818003 199.2397514947242 100.6085103115998 112.4058652056678 141.4171435402605 128.8161186933048 212.7430304437529 161.426522540215 208.7932400412048 131.4552905047212 158.003959233609 162.1900415271953 133.2275264640793 137.1575206544897 NADP-N6_1 24.41943312315098 79.02593470572965 94.83683121737376 40.76824985308494 59.785309936684 77.46429812854986 59.5120633139537 100.52513824747 78.56940247312586 112.6947827511336 46.22502712811125 72.83635664673312 82.03670396486542 80.64775956986392 61.41078060630952 NADP-N6_2 22.7739657306842 83.68117056760263 99.17127070218022 38.49899607516955 54.24593624577165 72.81276138657353 71.41276603302637 103.7560816709991 70.39177578748216 124.3831698543763 60.03528755112145 67.27898345016969 82.74763659454491 66.65248730270544 69.13970377681697 Nicotin-2_1 49.5230405931531 96.14868781123839 77.93994579130855 26.50848558175757 32.01804744266158 73.1133124419102 8.639201105007354 34.19764575004334 61.11781575393068 66.32294900083187 14.04161321801118 10.8705221723853 59.11538963259785 50.16426198328226 65.40947851677012 Nicotin-2_2 58.36067390405095 27.33178494652442 30.49428833295095 72.4431235783332 13.33076638756265 39.14433693808002 56.04506783740149 59.0092129603776 12.54804616310723 15.98400671228232 64.2659145451795 58.43138115022536 93.12877612662724 Nicotin-5_1 8.09458640388483 13.80946727929566 36.86075724244669 14.47106601566736 19.98959958559309 37.59246316966221 4.428682597461525 21.82940596633881 36.3380361795671 27.35479194052952 5.605803740851966 5.700380184332599 37.99988400285437 27.97395798952832 39.15425756832573 Nicotin-5_2 6.908844171994819 23.95891411487302 37.18236236249971 21.2885050824 30.61862590865858 36.80189314171059 7.495092599943249 14.81934119066548 34.93908352010649 35.25903511832011 6.711312022421025 7.817931206835622 34.28142536015661 26.31507123182509 37.32279225990129 Nicotin-5_3 9.301717277908084 18.40152536208788 39.15201745646975 11.46082917964998 29.20514866524234 42.41683419361458 8.322593955045907 19.24025800263809 30.24072660470852 32.05821682952526 3.373049332009148 7.381269427819485 50.92951130805699 34.83448096891481 38.22925532572793 Nicotin-5_4 6.785818605619649 17.15994212612109 39.77747192453986 17.62886117387965 23.28477509650924 35.75088131050228 4.110169223796493 19.09875179838915 38.05341282270354 30.48991746151935 4.892823127463655 5.657637990385888 40.38099372634939 27.62713317070871 39.20058593300251 Nicotin-6_1 24.5920684090311 65.04690741824191 60.83953724823908 23.2283176241979 21.4045804056281 49.10936745852768 6.390498279869781 34.32359172685331 49.85318658658415 50.06302986983084 21.12233509364589 15.3830972126437 47.43113723886809 52.50212573315985 39.24165841399673 Nicotin-6_2 30.40816938574349 30.00504110766597 39.32339047032185 15.16324341826763 15.87424566150556 43.93073374475977 6.31445350643457 22.94434165544486 31.05773726220773 30.90652000774752 25.48490666961349 10.84036549855961 47.67013300050804 44.74692414443992 34.83565957606859 Nicotin-6_3 34.90678253618955 14.57858996947671 28.99213364650752 46.85805492551398 9.28323639817189 19.74205515062108 38.43893048520175 39.81176323875778 6.815677079114429 35.3231847313832 43.3209282179784 Nicotin-6_4 165.2917277626084 13.14931420484003 12.81722626803062 39.03901866490301 9.908581544752694 20.14342701919597 46.5147878338116 34.02489369267752 15.13675754312916 45.41082534732459 43.57452541603465 P-Cho A_1 276.7527406146047 740.402551063426 722.0898711124084 420.7716177781862 484.484093410745 217.1408740304272 654.1685609735365 802.7786476854822 912.0328873230186 644.4687763848248 154.3463661001419 866.3095738673214 917.1783806458843 616.2063634264973 821.515830777455 P-Cho A_2 81.70018252312583 130.0058601540344 178.9942563135129 Phe-2,6_1 37.05351789916582 36.49100372714763 65.71726853997191 32.87039910967814 56.96563367809829 53.6895641243676 39.43871269647142 57.24516562174665 66.76037937833011 67.07730171910369 50.8271253435709 55.92967131744455 74.67796414617546 62.80878374357935 77.29449872162947 Phe-2,6_2 25.03856822738459 30.21827956476822 51.23156769623809 28.3808480449335 48.38075316668532 44.68763145580316 31.00264597827201 41.35669099556157 54.18382804349097 46.87552812233823 41.5683860267541 40.95258163710292 58.7355345129651 44.05422268163181 65.14366542282805 Phe-3,5_1 6.3886309767717 19.74890901272827 41.24169207814474 17.93107554183879 36.59247031950265 27.59272939672589 21.25383535690484 31.17958143439277 40.06187483512833 33.34607105730413 24.4991455970779 28.06070766894194 42.85853011510483 38.9848352991437 47.03318428777177 Phe-3,5_2 8.555141203213099 28.95517753421397 46.27398643339357 24.11183248946363 43.76397053659411 35.32970566283201 24.2260299220335 36.88240619380864 41.7991562702623 41.35621333382787 27.06709346248918 36.16703273846011 56.55376112352648 45.02926853202485 56.18333210836216 Phe-3,5_3 1.012101932953447 6.844646337992395 16.64366735662391 5.048675275028344 19.1838933707017 12.93599094928391 9.032359978827552 13.59094634143989 22.36800589387454 13.47752406753094 14.0840609845387 25.44724859470331 12.9000448505206 21.74232815706613 Succinate-2,3_1 277.0806475245517 644.5690822098594 659.6196075208478 303.7459930330156 444.3964009700287 660.3450211746728 507.4530719910971 564.4758876337743 911.7567214223541 1003.252382808751 423.7825754807711 632.8048785817255 709.454707849602 548.6359137900313 463.5262163847846 Succinate-2,3_2 15.8185509870399 Tau-1 (SCH2)_1 1545.337531255683 1413.361028131834 2962.863479481984 959.856742483423 2744.074334587097 1428.484966397266 2328.399438459904 2250.582108582843 2878.482528386597 1907.967878654584 2662.262621617708 2913.517918742284 2769.365825974578 2469.855761981507 2909.018017707605 Tau-1 (SCH2)_2 2616.621122033231 4915.870093447934 8615.685455993316 2789.966064458702 7027.900937823254 3510.22574724689 6196.634243556803 6690.256501276443 8851.190814765774 5544.647281950186 7200.390965552607 7813.111450945377 8175.086953619453 6242.894353156217 8264.069716906015 Tau-1 (SCH2)_3 2187.309574021182 4702.363256678342 7770.331685144485 2524.651924768829 5314.961654234401 3626.105340596296 4920.382313545545 5739.740320229891 7638.843105257531 5235.023848283821 5428.119609382338 6550.167993692739 7111.264799894204 4899.52820796376 5815.134106794481 Tau-2 (NCH2)_1 2516.952707024185 4674.049289008248 7042.230883065487 2352.278889522655 4839.29808875031 3525.504300670666 4155.779252348925 5830.918431450539 6737.047524336107 5605.307015299574 4432.466131840583 5370.496681503702 6503.408024356864 4675.258595762956 5884.98326869969 Tau-2 (NCH2)_2 2821.714986724283 4719.228080817607 8550.905291926949 2913.15832369263 6988.568473168279 4465.879942789888 6009.66860722788 7028.376555642715 8183.86582381446 5838.290538144903 6831.387516758877 7835.857090695932 8218.904193749742 6347.489219772546 8751.076034648886 Tau-2 (NCH2)_3 1058.513225208186 1507.153346548884 3549.538706193774 1138.280521796077 2983.507185627294 1809.545419316033 2758.029521295548 2822.710074974967 3661.365434265282 2112.581066179058 3164.804648109564 3459.528692881664 3526.138095757488 2673.185327951142 3635.288721297803 Tris_1 3081.582708704522 4067.082619966628 2434.435218276428 2442.817077579823 4085.709944941607 1575.810988732896 3299.668679059481 4006.677577685037 4788.635448765906 1631.943939939935 2088.982550290858 4448.883034508729 2245.914703573065 2596.221018049981 Trp-4_1 3.164684353928349 17.08338284342344 1.682738317132332 11.50694112434769 12.28092598676315 6.23936287407284 4.159670831610285 23.9588528337651 7.987978367120218 19.19042016806992 21.49508815122656 6.23344741122343 41.19347830603221 14.89150334127396 Trp-4_2 6.396458201246951 16.8408819044024 5.930894198179773 16.89880900318042 16.37032258064746 20.15529105296793 24.44528485187591 35.87830995657188 35.75536398356348 12.10068552816336 24.69513778772505 31.62614273047473 41.11590230768709 31.34362666267107 Tyr-2,6_1 27.24901264474077 28.68651961814395 41.04058529284593 31.95826373613082 48.83046689023278 39.3457289193241 24.91775616305999 43.32405005357973 63.09382146535675 43.07629769054697 25.21182961373995 32.05820882974563 50.57393274891419 50.340501279242 54.82717038348492 Tyr-2,6_2 43.68909653797395 35.27684707967455 42.42017868015374 32.80119794659785 57.21385122251523 49.44093428649101 25.5481815680584 42.11094583503957 65.09422432614754 52.21070256384172 28.67077749846089 46.01515362678575 58.35074950446727 46.32479879824349 75.41800388618594 Tyr-3,5_1 164.447351964916 27.52608958365996 31.76520060991164 16.7318529598566 39.17049072835577 28.17414768869977 16.37001379413359 31.99574752798057 43.7937464769317 34.29248455669306 18.84607331545388 27.7991285581172 40.12059201829847 40.73251006300396 40.68931990003298 Tyr-3,5_2 280.840545496279 29.98186083161306 33.94880304682933 21.31466779042629 39.77998426452253 35.21419904109592 14.90969411482793 24.63503689414548 55.5443342200041 41.1048703905941 19.16337171291031 27.78258626282874 45.50712992554116 39.93716614959919 54.10410152412021 UXP-5_1 59.703597 74.066499 103.440058 35.48561870775082 68.35486 119.33283 47.110803 92.750608 132.3600445736563 145.028263 57.839669 58.211249 110.478397 69.585894 103.052289 UXP-5_2 66.956231 123.542991 105.668723 63.66954216647364 70.303846 139.100525 67.434904 98.353094 387.9191643919297 172.869849 76.614818 72.002361 290.745061 92.917689 143.606505 UXP-6_1 17.62641859166143 21.44257530114995 41.95902157944897 13.55398595889349 24.4701910628273 38.49386992114113 11.82494500082466 33.97273832258143 32.60389942841088 41.3552593063521 3.935304750279764 16.07032280138821 40.32341729054691 20.77454722477722 31.60059656635579 UXP-6_2 20.6435042428704 22.1578054832028 44.76865201376902 15.39582337514082 16.30298626945727 35.39693772165415 12.76343190514622 28.05094330700122 40.50688546662549 47.89660926587167 8.908591158113154 18.27692927096775 36.430650594642 17.22400539653754 25.87263933320789 Val-B_1 54.37547594651473 91.9050371326458 154.3402995565781 68.34224925107794 133.4522155634968 109.5959900438439 70.05594010221095 116.497235270882 169.1755495656915 121.3545480926538 96.87071443711034 115.849527473967 182.1554399531974 113.0695793740594 150.6775701583631 Val-B_2 46.85513527953694 91.11604431009813 159.0552025447336 97.82036773788816 168.154425554369 108.0429516996092 98.04466831125308 105.2107391473546 166.0559644939623 122.2362135327982 113.909696313053 123.0509667669298 179.5552329242565 211.6709699705408 196.3605142228004 aGlc 13C-A_1 975.8906896654728 970.6708835742676 1696.193482194778 5656.047423825266 4600.834791409786 1418.644750107629 2394.188359121825 2094.148008638551 2602.479239797844 1835.142315318646 6514.34485307358 8265.80445334751 1754.045908942337 6322.357385589207 648.2753458209406 aGlc 13C-A_2 8970.053571511553 8974.049190664 14957.02733292269 12119.55423344507 11635.19828206731 13733.10090290194 11607.89476380655 12952.15526704353 17723.42525780723 14787.12166031512 8552.738417929097 10347.64989339437 18459.30413448965 12926.76101703431 3437.326842785268 aGlc 13C-A_3 11084.02208541745 20102.23877132389 29355.81850870912 352.6238306301952 35466.06433860087 32639.94920973592 31676.66093492936 28260.33837356592 387.6105455536168 465.6560423272476 29096.77813385265 258.2753749305916 6475.847150647462 aGlc 13C-A_4 1093.6942879258 926.6616678407004 978.8991318284986 668.0327252650627 1036.008362767194 3243.925134729385 1302.188345118632 1587.420788780346 12886.49328446844 aGlc 13C-A_5 2420.724800178051 aGlc 13C-B_1 1110.872569412742 16587.2545970701 2117.10031768455 37040.41584583756 14168.85064999643 1307.054163331735 13173.78809258095 1783.365883218395 2508.110289331114 1673.804009999435 13263.23527131097 18537.2179959036 1765.163333932295 21467.11561999024 3055.40253501585 aGlc 13C-B_2 28351.17517056057 15060.13692768415 49912.12027146888 6529.911744287868 44175.87781321454 3959.870920378737 50790.24464271164 44467.47034037436 38497.26468488765 6463.883970513562 8924.286918391774 41928.12930653998 7429.799316707191 3406.830375032671 aGlc 13C-B_3 5884.850916801509 11057.37805297348 9738.45879301619 16320.62607608081 12910.07181493607 23050.04281799999 14460.74259290328 14110.86612134306 24302.94282343929 aGlc 13C-B_4 1597.979836152469 7261.04877526223 7767.88103674495 4107.720593622763 5515.872103712911 2587.601368125768 6015.964896839931 4207.191632908359 aGlc 13C-B_5 4474.260004380678 aGlc 13C-B_6 602.968799273751 aGlc_1 3519.050363537849 12231.0024251486 10650.1263859684 4502.414949696744 4502.390916646782 8499.61319749862 4858.179193035945 8391.803396277332 11217.10772352511 13255.81863330577 4626.264722037 5866.264442690675 10414.27367155708 5153.310604097274 6812.688040581469 aGlc_2 4187.457597718546 12886.61553054004 11716.8157045177 5618.964917755423 5401.430474398265 9023.547158940868 6132.345568531839 9626.966157168501 11188.45934559539 13514.83733164447 5610.535040263202 7452.711003778701 12144.7750054093 6341.624928687232 9444.863881914842 bGlc 13C-A_1 6856.143122783451 5472.882961979672 12826.46759151196 4699.203977374012 5928.028315087171 9847.595024086144 5385.009780099525 12022.47156955775 10803.93944797057 11513.95706575532 6697.354657712139 8113.229235258941 11720.18138510791 8185.555695753736 8948.365117857637 bGlc 13C-A_2 11443.1622339854 15302.93407667704 23015.58348615011 9515.898829130158 8974.362138678087 23538.75684245929 6650.805077029555 23536.81957660396 27389.28409038872 24000.43851654294 7417.754456948712 10209.46996791041 26071.68899366207 12395.93066655373 18161.36657073185 bGlc 13C-A_3 3552.53519205728 6590.751788879355 6868.183320169605 3050.721557368825 1651.098275277576 9978.594340635 924.4980196602781 8164.517691638893 11505.21496053683 7170.532518251333 1233.071194368438 1310.829423185927 8945.179413826465 1826.796080400816 3501.139936244218 bGlc 13C-A_4 204.1952390458599 bGlc 13C-B_1 15560.79197682201 4713.213720255108 12212.18049519761 6001.443196503585 5825.782861506988 13446.77239388761 6860.866633846154 2969.800025419042 19315.71114195607 12836.93127310194 1488.354467692307 1739.942652307692 17654.47232397756 8187.990713972837 877.9249379733096 bGlc 13C-B_2 23601.2161072377 13157.76495830111 21668.72845879061 8526.751637783049 7323.499946054402 20161.8549418084 1494.685132307692 12556.26313289266 22627.74832679079 21931.67389477203 5939.640446153846 7182.40824 22646.08218601758 3405.260016513859 12183.27474162569 bGlc 13C-B_3 11351.66142732788 4886.323331632935 6314.069440562717 2452.90958308859 7963.805271046575 5213.477889230769 22602.29658226809 10610.75249341243 6519.876920151523 1973.686846153846 1842.709815384615 8238.42193491509 8876.85771812967 11599.82106674843 bGlc 13C-B_4 6514.685639591372 7078.092132307692 8580.400264615384 bGlc_1 2200.665045073415 5370.98578348003 5033.748180743136 2308.283728542025 3903.333591364319 4690.183853752495 3467.993110381105 3893.801269254719 3500.359294115493 6237.13508059371 2811.315784171924 3877.789826473272 5356.423638410928 4681.642632299669 5851.491048761997 bGlc_2 4238.281134104399 11598.69202282612 10713.11712241553 4643.520890032442 5365.387731507495 8870.997888127678 5301.29728491731 8535.98587859234 10057.27507294127 12363.90066065711 4828.622746785677 6488.641701549821 10507.33127013045 6345.002888139807 8608.322539173849 bGlc_3 2581.052959650634 6382.310334245431 5978.513713846154 2560.09199309894 1658.620758800671 4445.579332569715 1954.930788643417 4839.305040179795 6950.877695279018 6311.252022271779 2277.695584370445 2631.972784751441 5623.663714990262 1790.422106998434 2881.162511160748 m-Ins-1,3_1 299.712188 429.5554375 567.8486745 227.8781842725299 443.078439 453.765499 358.7551385 387.450265 282.988099 558.452517 268.817027 465.791662 513.722881 553.4523465 747.858649 m-Ins-1,3_2 338.5483815 516.1859195 667.962078 265.5702940675455 370.5349875 611.2872585 338.019199 628.131051 508.182724 627.7340795 279.2376155 393.002811 659.3370845 535.671974 737.3972625 m-Ins-1,3_3 228.702419 869.5779065 643.7997405 459.8868379160747 303.267256 623.586636 358.635158 474.37726 889.273356 982.871997 221.841831 402.6595115 887.6822995 525.134768 806.9940075 m-Ins-1,3_4 604.232667 1710.710787 1592.660434 393.79324294277 375.41784 3616.001727 318.4370475 1408.8676945 3237.649933 1750.1851985 264.4570345 382.424039 2264.4635785 566.8003335 856.9985195 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name base_inchi isotopic_inchi peak_description peak_pattern proton_count representative_inchi transient_peak transient_peak%type AXP-1' 13C-B_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:13C10]J1CH + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:13C10]J1CH + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:13C10]J1CH + [1H39:1H38]J3HH'] multiplets 0.5 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-1'_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-1'_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer AXP-1'_3 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 3 integer AXP-1'_4 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10H/fC10H12N5O13P3/h11H2/q-4'] ['[1H31:C10]HResonance + [1H31:1H30]J3HH', ' [1H35:C10]HResonance + [1H35:1H34]J3HH', ' [1H39:C10]HResonance + [1H39:1H38]J3HH'] doublets 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 4 integer AXP-2_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2 [1H26:C2]HResonance singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-2_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2 [1H26:C2]HResonance singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer AXP-2_3 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2H/fC10H12N5O7P/h11H2/q-2 [1H26:C2]HResonance singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 3 integer AXP-8_1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O13P3/h11H2/q-4'] ['[1H27:C3]Hresonance', ' [1H30:C2]Hresonance', ' [1H35:C3]Hresonance'] singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 1 integer AXP-8_2 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] ['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3H/fC10H12N5O13P3/h11H2/q-4'] ['[1H27:C3]Hresonance', ' [1H30:C2]Hresonance', ' [1H35:C3]Hresonance'] singlet 1 ['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1'] 2 integer Ace-2_1 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1H3/fC2H3O2/q-1 ['[1H5', '1H6', '1H7:C1]HResonance'] singlet 3 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 1 integer Ace-2_2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1H3/fC2H3O2/q-1 ['[1H5', '1H6', '1H7:C1]HResonance'] singlet 3 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 2 integer Ala-3_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala-3_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala-3_3 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 3 integer Ala13C-A_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala13C-A_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala13C-A_3 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 3 integer Ala13C-A_4 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 4 integer Ala13C-A_5 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 5 integer Ala13C-A_6 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 6 integer Ala13C-B_1 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 1 integer Ala13C-B_2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 2 integer Ala13C-B_3 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 3 integer Ala13C-B_4 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 4 integer Ala13C-B_5 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 5 integer Ala13C-B_6 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH + [1H7', '1H8', '1H9:1H10]J3HH'] ddd 1.5 InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H 6 integer CXP-6_1 ['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H12N3O14P3/h10H2/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4'] 1 integer Creat-P_1 InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/i1H3 ['[1H14', '1H15', '1H16:C1]HResonance'] singlet 3 InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) 1 integer Creat_1 InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/i1H3 ['[1H10', '1H11', '1H12:C1]HResonance'] singlet 3 InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) 1 integer Cys-3-GSH_1 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 1 integer Cys-3-GSH_2 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 2 integer Cys-3-GSH_3 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 3 integer Cys-3-GSH_4 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 4 integer Cys-3-GSH_5 InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H27', '1H28:C4]HResonance + [1H27', '1H28:1H30]J3HH'] triplet 2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 5 integer DSS_1 InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i1H3,2H3,3H3,4D2,5D2,6D2/fC6H15O3SSi/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] Singlet 9 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1 1 integer For_1 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/p-1/i1H/fCHO2/q-1 [1H4:C1]Hresonance singlet 1 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 1 integer Fum_1 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/i1H,2H/fC4H2O4/q-2 [1H9:C1+1H10:C2]Hresonance singlet 2 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ 1 integer GSH+GSSG-3_1 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 1 integer GSH+GSSG-3_2 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 2 integer GSH+GSSG-3_3 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 3 integer GSH+GSSG-3_4 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 4 integer GSH+GSSG-3_5 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 5 integer GSH+GSSG-3_6 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2,,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H21,1H22:C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:C1+1H43,1H44:C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH'] multiplets 2 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 6 integer GSH+GSSG-4_1 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 1 integer GSH+GSSG-4_10 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 10 integer GSH+GSSG-4_11 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 11 integer GSH+GSSG-4_12 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 12 integer GSH+GSSG-4_13 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 13 integer GSH+GSSG-4_2 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 2 integer GSH+GSSG-4_3 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 3 integer GSH+GSSG-4_4 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 4 integer GSH+GSSG-4_5 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 5 integer GSH+GSSG-4_6 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 6 integer GSH+GSSG-4_7 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 7 integer GSH+GSSG-4_8 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 8 integer GSH+GSSG-4_9 ['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2'] ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3H2,4H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] ['[1H23,1H24:C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:C3+1H47,1H48:C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH'] multiplets 4 ['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2'] 9 integer GSH-8_1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H30:C6]HResonance + [1H30:1H27', '1H28]J3HH'] triplet 1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 1 integer GSH-8_2 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H30:C6]HResonance + [1H30:1H27', '1H28]J3HH'] triplet 1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 2 integer GSH-8_3 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H30:C6]HResonance + [1H30:1H27', '1H28]J3HH'] triplet 1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 3 integer GSH-8_4 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4H2,6H/fC10H16N3O6S/h11-13H/q-1 ['[1H30:C6]HResonance + [1H30:1H27', '1H28]J3HH'] triplet 1 InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1 4 integer GSSG-12_1 InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i7H2,8H2,11H,12H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 ['[1H59:C11+1H60:C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH'] q 0.5 InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2 1 integer GXP-1'_1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1'] ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4'] ['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH'] 1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4'] 1 integer GXP-1'_2 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1'] ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6H,9H/fC10H12N5O14P3/h14H,11H2/q-4'] ['[1H31:C9]HResonance + [1H31:1H30]J3HH', ' [1H35:C9]HResonance + [1H35:1H34]J3HH', ' [1H39:C9]HResonance + [1H39:1H38]J3HH'] 1 ['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4'] 2 integer Gln+Glu-2_1 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 1 integer Gln+Glu-2_2 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 2 integer Gln+Glu-2_3 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 3 integer Gln+Glu-2_4 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 4 integer Gln+Glu-2_5 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 5 integer Gln+Glu-2_6 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 6 integer Gln+Glu-2_7 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 7 integer Gln+Glu-2_8 ['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1'] ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,3H/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3H/fC5H8NO4/h6H/q-1'] ['[1H15:C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:C3]HResonance + [1H15:1H11,1H12]J3HH'] triplet 3 ['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1'] 8 integer Gln-3_1 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+ ['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 1 integer Gln-3_2 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2,3H/f/h6-8H/b7-4+ ['[1H11', '1H12:C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 2 integer Gln-4_1 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 1 integer Gln-4_2 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 2 integer Gln-4_3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 3 integer Gln-4_4 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 4 integer Gln-4_5 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 5 integer Gln-4_6 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 6 integer Gln-4_7 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 7 integer Gln-4_8 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+ ['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH'] ddd 2 InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+ 8 integer Glu-3-b_1 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 1 integer Glu-3-b_2 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 2 integer Glu-3-b_3 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 3 integer Glu-3-b_4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 4 integer Glu-3-b_5 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2,3H/fC5H8NO4/h6H/q-1 ['[1H11', '1H12:C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH'] multiplets 1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 5 integer Glu-4_1 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 1 integer Glu-4_2 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 2 integer Glu-4_3 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 3 integer Glu-4_4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 4 integer Glu-4_5 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 5 integer Glu-4_6 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 6 integer Glu-4_7 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 7 integer Glu-4_8 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 8 integer Glu-4_9 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2H2/fC5H8NO4/h6H/q-1 ['[1H13', '1H14:C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH'] multiplets 2 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1 9 integer Gly_1 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1H2/f/h3H ['[1H6', '1H7:C1]HResonance'] singlet 2 InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/f/h3H 1 integer Glyco 13C-A_1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23+1H [1H72:C23]HResonance + [1H72:13C23]J1CH + [1H72:1H66]J3HH multiplets 0.5 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 1 integer Glyco 13C-B_1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23+1H [1H72:C23]HResonance + [1H72:13C23]J1CH + [1H72:1H66]J3HH multiplets 0.5 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 1 integer Glycogen_1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 1 integer Glycogen_2 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 2 integer Glycogen_3 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 3 integer Glycogen_4 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 4 integer Glycogen_5 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 5 integer Glycogen_6 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 6 integer Glycogen_7 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23H [1H72:C23]HResonance + [1H72:1H66]J3HH multiplets 1 InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 7 integer Ile_1 InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H ['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH'] doublets 3 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H 1 integer Ile_2 InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i2H3,4H/f/h7H ['[1H13', '1H14', '1H15:C2]HResonance + [1H13', '1H14', '1H15:1H18]J3HH'] doublets 3 InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h7H 2 integer Inosine-1'_1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H [1H27:C10]HResonance + [1H27:1H26]J3HH doublets 1 InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H 1 integer Inosine-1'_2 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10H [1H27:C10]HResonance + [1H27:1H26]J3HH doublets 1 InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H 2 integer Lac-2 13C-B_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-2 13C-B_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-2 13C-B_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac-2 13C-B_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac-2 13C-B_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac-2 13C-B_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac-2 13C-B_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac-2 13C-B_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Lac-2 13C-B_9 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:13C2]J1CH + [1H10:1H7', '1H8', '1H9]J3HH'] multiplets 0.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 9 integer Lac-2_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-2_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-2_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac-2_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H10:C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH'] quatet 1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac-3_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac-3_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac-3_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2H/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH'] doublets 3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-A_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac13C-A_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac13C-A_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-A_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac13C-A_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac13C-A_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac13C-A_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac13C-A_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Lac13C-B_1 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 1 integer Lac13C-B_2 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 2 integer Lac13C-B_3 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 3 integer Lac13C-B_4 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 4 integer Lac13C-B_5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 5 integer Lac13C-B_6 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 6 integer Lac13C-B_7 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 7 integer Lac13C-B_8 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3/fC3H5O3/q-1 ['[1H7', '1H8', '1H9:C1]HResonance + [1H7', '1H8', '1H9:13C1]J1CH'] ddd 1.5 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 8 integer Me-His A_1 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i4H/f/h8H [1H19:C4]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 1 integer Me-His B_1 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i3H/f/h8H [1H18:C3]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 1 integer Me-His B_2 InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i3H/f/h8H [1H18:C3]HResonance singlet 1 InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h8H 2 integer NAD+-A1'_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H62:C21]HResonance + [1H62:1H60]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-A1'_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H62:C21]HResonance + [1H62:1H60]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NAD+-N1' 13C-B_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:13C20]J1CH + [1H61:1H59]J3HH multiplets 0.5 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-N1'_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:1H59]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD+-N1'_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H61:C20]HResonance + [1H61:1H59]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NAD-N2_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i4H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H48:C4]HResonance singlet 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD-N6_1 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H47:C3]HResonance + [1H47:1H45]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 1 integer NAD-N6_2 InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H28N7O14P2/h34,36H,22-23H2/q+1 [1H47:C3]HResonance + [1H47:1H45]J3HH doublets 1 InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1 2 integer NADP-N2_1 InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i4H/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 [1H52:C4]HResonance singlet 1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 1 integer NADP-N6_1 InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 [1H51:C3]HResonance + [1H51:1H49]J3HH doublets 1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 1 integer NADP-N6_2 InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i1H,3H/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 [1H51:C3]HResonance + [1H51:1H49]J3HH doublets 1 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H29N7O17P3/h33-34,36,38H,22-23H2/q+1 2 integer Nicotin-2_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H [1H25:C8]HResonance doublets 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-2_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i8H [1H25:C8]HResonance doublets 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-5_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-5_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-5_3 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 3 integer Nicotin-5_4 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,4H,6H [1H16:C2]HResonance + [1H16:1H19]J3HH + [1H16:1H22]J3HH ddd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 4 integer Nicotin-6_1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 1 integer Nicotin-6_2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 2 integer Nicotin-6_3 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 3 integer Nicotin-6_4 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i2H,6H [1H22:C6]HResonance + [1H22:1H16]J3HH dd 1 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 4 integer P-Cho A_1 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1H3,2H3,3H3/fC5H13NO4P/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] singlet 9 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 1 integer P-Cho A_2 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 InChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1/i1H3,2H3,3H3/fC5H13NO4P/q-1 ['[1H12', '1H13', '1H14:C1+1H15', '1H16', '1H17:C2+1H18', '1H19', '1H20:C3]Hresonance'] singlet 9 InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1 2 integer Phe-2,6_1 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i2H,3H,4H,5H/f/h10H [1H16:C4+1H17:C5]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 1 integer Phe-2,6_2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i2H,3H,4H,5H/f/h10H [1H16:C4+1H17:C5]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 2 integer Phe-3,5_1 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 1 integer Phe-3,5_2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 2 integer Phe-3,5_3 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1H,2H,3H,4H,5H/f/h10H [1H14:C2+1H15:C3]HResonance + [1H14:1H13]J3HH + [1H14:1H16]J3HH + [1H15:1H13]J3HH + [1H15:1H17]J3HH triplet 2 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h10H 3 integer Succinate-2,3_1 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2/i1H2,2H2/fC4H4O4/q-2 ['[1H9', '1H10:C1+1H11', '1H12:C2]Hresonance'] singlet 4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 1 integer Succinate-2,3_2 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2/i1H2,2H2/fC4H4O4/q-2 ['[1H9', '1H10:C1+1H11', '1H12:C2]Hresonance'] singlet 4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 2 integer Tau-1 (SCH2)_1 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 1 integer Tau-1 (SCH2)_2 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 2 integer Tau-1 (SCH2)_3 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H10', '1H11:C2]HResonance + [1H10', '1H11:1H8', '1H9]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 3 integer Tau-2 (NCH2)_1 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 1 integer Tau-2 (NCH2)_2 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 2 integer Tau-2 (NCH2)_3 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1H2,2H2/f/h3H ['[1H8', '1H9:C1]HResonance + [1H8', '1H9:1H10', '1H11]J3HH'] triplet 2 InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/f/h3H 3 integer Tris_1 InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2 InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1/i1H2,2H2,3H2/fC4H12NO3/h5H/q+1 ['[1H9', '1H10:C1+1H11', '1H12:C2+1H13', '1H14:C3]Hresonance'] singlet 6 InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1 1 integer Trp-4_1 InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H [1H18:C3]HResonance + [1H18:1H16]J3HH doublets 1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H 1 integer Trp-4_2 InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1H,3H/f/h12H [1H18:C3]HResonance + [1H18:1H16]J3HH doublets 1 InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h12H 2 integer Tyr-2,6_1 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 1 integer Tyr-2,6_2 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H14:C1+1H15:C2]HResonance + [1H14:1H16]J3HH + [1H15:1H17]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 2 integer Tyr-3,5_1 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 1 integer Tyr-3,5_2 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1H,2H,3H,4H/f/h10H [1H16:C3+1H17:C4]HResonance + [1H16:1H14]J3HH + [1H17:1H15]J3HH doublets 2 InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h10H 2 integer UXP-5_1 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 1 integer UXP-5_2 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H22:C1]HResonance + [1H22:1H23]J3HH', ' [1H26:C1]HResonance + [1H26:1H27]J3HH', ' [1H30:C1]HResonance + [1H30:1H31]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 2 integer UXP-6_1 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 1 integer UXP-6_2 ['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1'] ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2H/fC9H11N2O15P3/h10H/q-4'] ['[1H23:C2]HResonance + [1H23:1H22]J3HH', ' [1H27:C2]HResonance + [1H27:1H26]J3HH', ' [1H31:C2]HResonance + [1H31:1H30]J3HH'] doublets 1 ['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4'] 2 integer Val-B_1 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM ['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH'] doublets 3 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H 1 integer Val-B_2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1H3,3H/t3-,4-/f/h6H/i/tM ['[1H9', '1H10', '1H11:C1]HResonance + [1H9', '1H10', '1H11:1H15]J3HH'] doublets 3 InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/f/h6H 2 integer aGlc 13C-A_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc 13C-A_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 2 integer aGlc 13C-A_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 3 integer aGlc 13C-A_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 4 integer aGlc 13C-A_5 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 5 integer aGlc 13C-B_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc 13C-B_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 2 integer aGlc 13C-B_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 3 integer aGlc 13C-B_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 4 integer aGlc 13C-B_5 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 5 integer aGlc 13C-B_6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH multiplets 0.175 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 6 integer aGlc_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.35 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 1 integer aGlc_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.35 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 2 integer bGlc 13C-A_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc 13C-A_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc 13C-A_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer bGlc 13C-A_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 4 integer bGlc 13C-B_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc 13C-B_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc 13C-B_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer bGlc 13C-B_4 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H [1H19:C6]HResonance + [1H19:13C6]J1CH + [1H19:1H18]J3HH doublets 0.325 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 4 integer bGlc_1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 1 integer bGlc_2 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 2 integer bGlc_3 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6H [1H19:C6]HResonance + [1H19:1H18]J3HH doublets 0.65 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 3 integer m-Ins-1,3_1 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 1 integer m-Ins-1,3_2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 2 integer m-Ins-1,3_3 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 3 integer m-Ins-1,3_4 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1H,2H,3H,5H,6H/m0/s1 [1H13:C1+1H17:C5]HResonance + [1H13:1H14]J3HH + [1H13:1H15]J3HH + [1H17:1H15]J3HH + [1H17:1H18]J3HH dd 2 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 4 integer METABOLITES_END EXTENDED_NMR_METABOLITE_DATA_START metabolite_name chemical_shift peak_area peak_height peak_width sample_id AXP-1' 13C-B_1 6.277729774353674 97.46387957089748 0.4880757142433601 9.342909282986108 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.27605939201992 241.9015252456971 1.011417322862022 10.29699733602914 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.276828291867957 253.2422347520969 0.9034297985493529 10.55051568394481 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.276900716954414 207.1385843709069 0.7626734351250324 11.11022314591251 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.277050746354061 325.3655912310571 1.250503142546028 10.8408290727219 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.276288546864329 260.13252796087 1.022836447488723 11.06110929747301 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.277537257131635 206.9203974285407 0.8161059614065062 10.28156424586656 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.276835882949948 217.2991334401184 0.7909848686675336 9.84955053126908 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.276562504580824 222.5478961128403 0.8561353681668644 11.27906589119176 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.276799721657264 271.1509882979099 1.103969936794939 10.47186633417453 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.275895509727202 310.3940911841159 1.352490005481239 10.79403605530271 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.274723159231222 144.455037455781 0.553326884529525 11.74106539921007 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1' 13C-B_1 6.276812975110075 220.1109132632444 0.94667852765932 10.69095538981091 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1' 13C-B_1 6.277717952004011 380.0066169031936 1.570748751625907 10.74462970218276 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1' 13C-B_1 6.277403010317959 356.3971212260473 1.426815990503356 11.13444590719014 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.130956941350344 122.2970950809804 2.120009697995096 2.068258832162849 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130049458115145 220.2418078849016 4.119133529403892 1.958853113514989 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.130409401980007 341.7695447568976 5.972121180522993 2.051782599217035 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.130109462571673 205.0609362066749 3.528849031238217 2.059292884685228 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130409401980007 336.9252746854179 5.153538728973724 2.270802553043758 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.130482493206993 288.9601818158228 4.955508365625866 2.090626168065374 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.131014628744809 183.1094961119508 3.372422263816315 2.000429972538595 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130860335731381 274.7305572752541 4.686101703205966 2.101947434521649 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.130575377169487 340.6279783329827 5.453441378448971 2.239423656940569 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.130543111249069 231.8599730403627 3.950736724245985 2.101326081003963 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.129762011266666 281.3374161610929 4.876312717300233 2.083875246504009 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.128459041307488 162.2400027373961 2.588806083737075 2.160693381562949 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_1 6.130385720590499 136.2398149960773 2.437108314060009 2.020699586343817 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_1 6.131255378023543 134.5025047263921 2.236263226572998 2.098642246163718 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_1 6.131104202960387 199.2159942836457 3.157904176218223 2.205660833657583 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.139321171652456 476.5865743185377 4.577134466658592 3.884361928168364 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.137433184674833 578.9953994871893 7.299414434437314 2.958066670884313 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.137864646589214 584.4829973131806 7.845052188593801 2.701841391276197 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.138182119599303 831.4642175337673 8.04997272104427 3.918988198243829 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.139075161524939 697.7444256806508 9.379112632445121 3.304012193447118 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.138547190754614 855.7044169882885 9.852031871478271 3.579568678535895 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.139085646792722 871.7398418513252 8.254780740077644 4.008881305314137 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.138275470160582 625.8814645610554 7.824659573433507 3.025070560275798 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.137851812516059 463.6455347028392 6.469773742067375 2.648055040870688 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.138910343196144 709.6669507057386 8.117236284863283 3.66337555679213 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.137551933873056 941.1172693163999 11.07676122660402 3.455146565493713 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.137201000963436 335.0451822247356 3.937101944607611 3.428680731027864 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_2 6.13853148613198 647.3929086030971 5.582063050045909 4.275872700425452 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_2 6.139081565318318 729.5494295727007 5.617506471012457 4.65626548804964 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_2 6.13915666198381 717.7001434374606 5.981725439482771 4.155514787265593 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_3 6.147485083401144 284.3564939139602 3.60425690664797 2.816763248327344 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.139968426972985 230.2912799876429 3.964405801067402 2.101147210718078 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_3 6.140315192701477 394.7957365166963 6.542831664833258 2.193298062069284 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_3 6.146676769224293 513.5813592266666 6.975427427561565 2.554568736106499 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.146992842473378 743.005309772351 8.059332832262758 3.020271368191644 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_3 6.146972527439065 658.8561698262251 8.779443348240813 2.560090963962597 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_3 6.147569919122649 512.7887997140714 7.420909172579465 2.444565688006344 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.140854382497882 255.6943189605803 4.303856042598952 2.110475742696824 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_3 6.140472250272105 358.131235616966 6.101935017301411 2.162556105801024 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.14713239494179 556.5257755763133 6.926118392981738 2.730502779507116 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.146274618241931 764.196601471555 10.64719510551432 2.45497305315106 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_3 6.14519952565038 199.070858352714 2.612996701915326 2.744149637260357 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_3 6.146947205990393 344.5072812649531 4.741638398606019 2.535134091087401 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_3 6.147793342863485 374.2815751619601 5.063364925771724 2.552828917478816 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_3 6.141269167128168 42.59955349836623 1.051419457202643 1.451363237410061 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_4 6.146653412958194 606.837298733876 8.264256810641855 2.461495652463126 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_4 6.14713057183769 677.1675836620956 9.058667508301593 2.48942166874831 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-1'_4 6.147365462411361 620.8096018430535 8.71178648136044 2.48308210910361 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-1'_4 6.147085028191459 632.9674914550335 7.375183151484611 2.859812864937287 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-1'_4 6.147696185384103 342.7328346206292 4.910578099497301 2.461848802989165 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.25151188822254 181.5402559752682 3.390351987450521 1.881277797336365 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.25186324316806 1122.747662671222 15.35429062331981 2.911544060931935 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.2518711237981 1313.023063617737 17.5531251558251 2.97056009566733 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.252016573884847 1048.946973829415 13.865956641048 3.007865616194008 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.251869550886383 1260.541613098312 15.79869475722538 3.106072060312616 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.252111173006076 1296.917166108899 17.32483038223999 3.008619480085708 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.251086455633189 299.4059517986494 5.826359463967075 1.782505833210537 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.250624256333207 255.7359482959334 5.389449217246183 1.571472495509627 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.2517105113096 1151.386870540774 16.17909723498145 2.798120229722711 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.252251893291206 1098.591775300119 13.70685797726894 3.163135655906868 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.251209346288396 1475.620509153606 19.46577395702208 3.13314757081629 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.251042227435615 636.8814581138948 7.24860154677813 3.146068243368575 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_1 8.250678175983115 209.7842087646573 4.238674960804544 1.726925654284203 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_1 8.251422138636183 239.4339893540213 5.528187546031812 1.593223132623446 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_1 8.251423232674128 328.7823359118069 6.39164059374514 1.94965097742797 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_2 8.253411083926817 454.6297419671242 6.366129018494632 2.552375201445909 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_2 8.253130248369766 768.5321102181395 12.262066092781 2.403547314508774 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_2 8.252693680517384 954.8051150299809 14.35731545931361 2.59030382114926 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_2 8.26087560153191 194.4001536903711 2.680121423886782 2.753902551849582 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_2 8.252687452408837 517.5002997861144 8.67496190912936 2.294513020116268 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-2_2 8.25308298936363 252.0938063037169 6.138694366607319 1.486074038718642 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-2_2 8.25337862047183 558.1861320314729 9.006584087159174 2.33005745175892 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-2_3 8.254621989771186 280.2070688976466 6.084101708469681 1.65743011683459 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537423387486738 397.7699522910689 7.261537649964562 1.95847156662462 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.536670573402937 1194.411429684795 19.04522894517581 2.248507532126015 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.536804679831366 1172.312456151704 20.19021570297371 2.103646079727295 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.537052725671613 1063.848492577281 14.80433104702779 2.576425496778925 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537112620568863 1109.795876630039 16.23889652334285 2.46957197095074 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537144286215668 1316.797419146571 20.21055933273386 2.346783247774696 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.537276990671739 785.4843641122033 14.75581516207337 1.929371100484296 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537003545167053 865.2056545385191 16.29473449592929 1.925155914581443 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.5363272090718 1077.984273740185 15.81546584801231 2.405325622420825 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537383542084072 1003.70925935184 15.17256611091899 2.438936307029977 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.536115890613985 1587.628150596789 26.25758366214098 2.183634039683642 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.536097363340017 285.5598287506137 5.637158845024634 1.834484368525944 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_1 8.536612156690683 508.9094065061693 10.0574914171387 1.843007282435084 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_1 8.537488000215316 609.7116103625469 11.40672113683222 1.932976688762958 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_1 8.537293468522854 673.3721635683002 12.4614018775616 1.961286207798232 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A AXP-8_2 8.541958398410163 185.0880498060378 2.829036518284825 2.390245285139794 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_2 8.539708360654236 339.695566823746 5.292219279398347 2.239664725745759 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_2 8.539337814144233 350.2316544882079 5.640012189053978 2.158524599603667 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_2 8.539688317178326 317.2546088245549 4.608154871760491 2.480739559325462 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A AXP-8_2 8.539891931938659 422.5883352003906 5.888515268262434 2.533232054803332 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A AXP-8_2 8.540117896247281 310.4179093917174 4.409973503210558 2.47322709657779 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908468846869386 368.0953017610724 7.530351900303596 1.705595195769595 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.908323784265022 514.8893602669685 11.23615072499799 1.575818414811504 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.908854273203856 481.790956954412 10.01802839582454 1.642028371750498 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908168872060596 551.2204879657544 12.11104643931494 1.578738725970197 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.908826287263688 618.8171367487454 12.25097658187359 1.692652498465911 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.908784544240888 646.288314128113 12.45152825586708 1.747858096101601 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.909223620410469 547.936761992105 11.04695020755963 1.684692184359497 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.909072761043875 692.0785724363853 15.19278976706663 1.589457194011078 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.908880624888748 685.4282002764727 13.38061421647567 1.748982744672402 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.908758396253812 637.945772972156 14.07520941877914 1.575259617353626 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.908426262178532 782.0052102365293 16.86550469796936 1.595588842503441 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.902868158983797 67.98878246076298 1.108893257359784 2.266877578744457 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_1 1.908240979710829 822.8823953997921 19.22478612867807 1.526830662089087 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ace-2_1 1.909237281448123 845.6018689336458 19.25174251904586 1.53259304712256 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ace-2_1 1.909130336511026 756.2251666705565 15.17538031811532 1.730316849596471 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ace-2_2 1.906167054255028 47.33686420830537 0.9059118606789978 2.042116118523765 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.462921520225643 1251.156373064783 21.66952850501133 1.962046884620412 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.462681719774864 1203.102449097443 20.8773019972881 1.914464866202508 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463223880919203 1469.38288364953 23.72276403328019 1.964546681284191 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.462519975290678 2198.825476164388 36.36028623989352 1.973119275324097 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.46315271973022 1389.039658093169 22.2626841815661 2.041300395310028 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463145684159019 1938.178442592558 33.61289462191839 1.976497868064746 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.463643315870924 1010.629989401443 20.40098666770603 1.762951466409263 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463481866744365 1607.280471739654 26.77320526541104 1.974018380081097 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463278980167713 1718.492345109796 27.96168454608582 2.035371355252599 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463074000150045 1142.676017248457 20.42618225468534 1.90100456673451 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.462749558668658 2135.915190044835 34.01605576705709 2.027928144083099 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.461012005878898 1015.723862082863 16.30352442916076 1.993216554207319 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_1 1.462642817691184 1351.446949289961 23.56866950886339 1.917322386113534 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_1 1.463632229695508 952.5133512412507 19.29807050605915 1.748704760319225 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_1 1.463507590459844 1403.53833543078 27.4005697030396 1.821111586158623 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.475017327062542 1211.057280198505 21.83305439954409 1.913253587631452 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.47476964330388 1217.526529841618 21.03040972403884 1.917300066996383 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475302037637686 1403.550538221979 24.01977088010238 1.935167593717217 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.474631084630095 2191.190053862428 36.86636812466175 1.973119275324097 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475265963383513 1284.461881580164 21.96264726793032 1.949383119475352 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475180811216248 2520.019677810677 35.7662283496344 2.234071940066251 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.475737683456834 1043.624099347859 21.14173675506034 1.764399745790157 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475619073014487 1580.016527207804 26.88371862837031 1.971222448366838 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475378737202727 1925.450252456378 29.27603767898319 2.116655165489893 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475162770234526 1318.358910828953 20.78574671715352 2.037104179680641 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.474838872826435 2072.084900681917 34.72826242280876 1.975986074111884 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.47310467901851 914.2838046058505 16.33246876104219 1.888438949244005 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_2 1.474754671356944 1353.728223736839 23.74268665137162 1.91797800739668 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala-3_2 1.475727712494431 1250.428300813671 21.01995345167933 1.94822207649694 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala-3_2 1.475577975697838 1777.170988904066 29.69417308050605 1.985775642881795 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala-3_3 1.478057035931003 1878.11748401283 1.351005530032598 42.77531979308968 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.344820019460125 134.9595428242494 2.354706479577185 2.003349871049957 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.344623000455918 269.4014111322296 5.019228900617932 1.873620338934517 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345166088079913 264.902187445326 4.834087689468848 1.912062049678069 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.344408896139759 204.2870179293991 3.104624379845954 2.192354750360107 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345074705604712 251.7411100343067 4.530212623984149 1.938949590613073 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345040523968813 538.7931678884311 9.525252491317831 1.973679111971136 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.3455966148122 95.3440359678058 2.115128764744948 1.653124522225143 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345485239033354 154.8426716933466 2.802381400087114 1.940972601547478 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345241608780347 158.3503039520345 2.972683197607469 1.883761345661184 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345022663149977 182.4380852431169 3.400531006693335 1.881418418325416 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.344682147754584 253.19517037469 4.57022707475944 1.920455181190714 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.341121003209798 26422.11323685728 77.5600946575461 13.04297102103269 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_1 1.344572425368254 151.3216861623932 2.872110908366027 1.842947065377022 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_1 1.345592850466392 216.3639993688066 3.983676294500976 1.895099079445822 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_1 1.345445601494734 329.6871273140293 5.949019603560512 1.933693118734204 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.352018394778511 281.3104480776939 4.906297548662014 2.041095659938812 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.351773030759096 598.9535739944314 10.37661576543494 2.02000603685323 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352294049759832 561.6723180616467 9.877409591009393 2.009932838668452 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.351636665547052 476.3089529233152 6.678405102890006 2.392678830647973 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.352276724232144 538.5843782102695 9.46770047303464 2.024146004167127 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.35220253867039 1181.892751620325 19.90288233441654 2.06587274553164 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.3528205521047 341.1253925356561 5.611354425016441 2.122267607721247 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.35260908763778 369.9276838943607 6.223332853088915 2.113230442208158 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352438182802542 466.9123920305969 7.257050221994858 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.35220253867039 430.2121243852047 7.290977200871256 2.063802114532827 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.351855938709529 597.1170405560148 9.758887614130515 2.134961806511225 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.360814049987537 50617.32595130213 32.63426962330256 56.05609149382044 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_2 1.351741791179744 364.0397236166231 6.259388901153795 2.03617486742513 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_2 1.352737864536442 490.4169773087249 8.366689519982808 2.05718376375792 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_2 1.352590150695752 761.8541719123959 12.68374411300142 2.095826559512654 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.356763200071931 148.1023760642446 2.412616024198886 2.123732222762298 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.356545323581571 279.4211966815894 5.079417187948324 1.919448328748929 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.357110266816192 310.1760027874571 5.130273482890991 2.096554194934933 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.356305093762011 229.0335093550022 3.344039913513408 2.325012926031257 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357011320838674 269.7995462660295 4.67338057386561 2.014378267884763 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.357594104707248 1055.447723394055 13.40350249302321 2.98774293714337 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.357516821724704 179.291532432627 2.815271938215906 2.23049142075573 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357226458221433 193.6919132557076 3.136494796610076 2.14034809364357 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.357087851839038 194.0300221907264 3.368380055797863 2.033947654273936 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.356984292788204 230.5075139549257 3.843603711591693 2.093523517229578 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.356622374585436 303.0044115436309 4.943316503144479 2.10342282976079 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.369211862733996 256.4218525921949 4.453572098820592 2.004810303024827 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_3 1.356517098623816 179.3003979411859 3.06198309484565 2.04319316083932 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_3 1.357518371009262 232.6428747774208 4.112873389335925 1.988310070868179 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_3 1.357428653606766 394.8520293737877 6.443934632126066 2.138032042269452 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.359141556899974 164.5617918136463 2.521351548611684 2.272633540283163 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.358914241985088 316.9391367383716 5.194680921655307 2.128864184203109 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.359515873112147 273.7374438803232 4.587710167689838 2.081944729018349 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.358875962491833 217.5201467346255 3.159583883370061 2.391133938682058 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359381869664507 278.2676792432342 4.516099686180413 2.149959147104709 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.364261313713005 1537.612404351899 21.30371857035604 2.329236659409081 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_4 1.360006459109609 140.5547736977757 2.30186196119396 2.130577250583512 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359787284112072 197.4145318961627 2.96190692544776 2.325619566053497 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.359542512948788 203.3570613256279 3.31626509117431 2.17958013234856 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359429321540157 192.8955403969921 3.291835220960011 2.04463156407077 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359029122706281 279.3093340664549 4.516240891722833 2.155861590127008 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.358930712093921 181.4213777577916 3.016290940461638 2.115341464227398 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_4 1.359916066256671 253.6868149943088 4.134021903606435 2.141194326831219 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_4 1.359817355382376 365.8846276412387 5.965095751610814 2.140216487453219 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.364131323730488 329.8646610003752 5.186873683593926 2.212630477582415 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.363887464660052 620.6181577026873 10.77134597825666 2.010413831136225 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.364422096454171 614.1726908769873 10.28168930739798 2.084284442535928 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.363813005446817 455.2475903727336 6.636521676793107 2.301972487878113 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.364381130793773 595.8298276111906 9.783869573259935 2.069468576345636 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.371428432759805 491.7625537586372 9.460139498777941 1.85506940415086 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_5 1.364945542064596 394.5072601551115 5.830574573321506 2.29418170621959 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.364756405774639 417.9186842142356 6.456456070711512 2.208600182622105 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.364539172822524 498.9150741931043 7.754456321417114 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.364331066521128 481.1263010321079 7.614755329949841 2.148147460571731 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.363984950124858 602.5748332119603 9.79647439383251 2.112822133720745 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.363890127169936 356.8179769361101 6.314985224865776 2.000398324598247 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_5 1.364850027399215 497.6589861415079 8.54098094332824 2.033082766187971 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_5 1.364709175646295 766.7416281597183 12.73612518351776 2.105727273716984 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_6 1.371201276693626 154.3267480012205 2.562526435687448 2.100958623337385 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.370961867213627 262.8206382966122 5.071045184005673 1.833611313377945 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.371500129766276 263.8203038981321 4.878358997937181 1.906236984205072 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-A_6 1.370792676872074 183.6490549548356 3.028616243119704 2.082737012842102 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371450583175722 255.567292671289 4.68092556417525 1.905041753388766 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.371878894670612 112.108457549025 2.383710077113658 1.866663618734482 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371748053675773 148.9844799513529 2.702309510782017 1.923698033394782 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.371555526641318 182.3842015591907 3.27664447521145 1.942177219701039 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371355022572195 204.3356303204934 3.615419331016285 1.955482697859492 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371013176011454 241.330798720299 4.607381823780128 1.863501537806091 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.370919651438842 151.4342295397224 2.937956267358796 1.833423896914039 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-A_6 1.371919442562083 200.4793637713541 3.959163354174314 1.81548576585378 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-A_6 1.371795417014298 320.4541051954872 6.015346740634255 1.914182062761912 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.56119278831394 140.6923944611398 2.43148946030632 2.074554380177731 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.560876224014546 262.4718086448544 5.022951534251111 1.834352650207092 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561400865658035 246.3939498506965 4.640322164967246 1.876788047156707 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.560726061316476 176.3004988218671 2.873192306945264 2.082737012842102 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.561382126641663 220.0191163497332 4.381773397378181 1.85123719922096 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561327925310648 551.3936783696033 9.63713510933058 1.996387290661156 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.561871225398195 120.0321503462442 2.24373555763431 1.889496184379342 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.561709507251082 131.1362950484484 2.605796793469585 1.885198695270951 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561510562046675 154.494000210761 2.908566239063668 1.886010829773453 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.561285641930266 169.8838427064799 3.277933418296651 1.82458603758032 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.560940155970495 244.5137989362555 4.466115928083043 1.917788768893656 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.566387918232556 653.4479549048248 10.04109172289003 2.2357466804456 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_1 1.560833936781471 148.9910691098823 2.812537085715501 1.857742857697725 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_1 1.561865477612754 194.8747750529573 3.787101491233881 1.897143794575084 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_1 1.561739810590908 312.4762580633903 5.866619308870579 1.899691897102016 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.568228254129469 360.7910777457793 5.335053363168901 2.322107342910492 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.568036081919167 670.7156899066123 10.58572252204017 2.181065026877541 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568572023688665 601.0091232621568 9.987123371706817 2.10249598883162 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.567902214718887 468.484134476447 6.438069492224278 2.467482550900553 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.568543095010394 607.4236223258075 9.611678268620555 2.178126854751395 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568490874977074 1271.989120454262 21.14005483496162 2.108033413807795 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.569071945020613 421.497227265716 5.987776726433208 2.391519002216581 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.56888780469312 393.185893059959 6.339952297847035 2.205806861978904 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568687622421546 480.6350680265325 7.470336805479113 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.568464240239895 461.834016850905 7.45970303166368 2.134972799583759 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.56812467446175 684.4606355706569 9.922932640144248 2.32841232513514 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.572173188103511 954.9899772660139 8.727068293972822 4.068584214664433 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_2 1.568013782394973 409.0066926355117 6.442499014636786 2.189397987854 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_2 1.568977310445482 495.0416739152969 8.410759757335304 2.11024619699366 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_2 1.568870387371948 779.3395229610865 12.81403845541394 2.136014815648244 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.573099355670167 158.9693873282762 2.501555232997065 2.214658138562293 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.572839852130125 267.74310646796 5.032020184383379 1.884788615735141 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.573408873027537 288.3447606342205 4.927204060668173 2.041937649964094 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.572666818165127 163.8071768611965 2.92855293237598 2.005425076610672 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.573307938263163 229.1888946632069 4.233196025556591 1.907623660216071 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.574343462524358 900.0572647455648 13.46074890266287 3.102702547394326 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.573790141728407 159.8127194595697 2.752634667017273 2.081562045218145 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.573537742516517 176.053743685691 2.954959394790232 2.084032526511624 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.573378344995302 221.3826229491312 3.566719121097244 2.191807727069138 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.573230397603147 196.6551392509088 3.457399479798863 1.984662663239615 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.572965991457544 256.3337176314616 4.490154248479705 2.010944441796228 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.578452072988627 938.8562186613339 10.55848473882705 2.736056911946936 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_3 1.572825103267007 173.9342234526162 3.023269808376681 2.01836995176108 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_3 1.573766609058477 223.3946943239609 4.010521049220452 1.968578359336683 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_3 1.573715831139361 386.2258932634987 6.447136378434629 2.124465082660992 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.575484996649667 161.6169207311328 2.52702223641783 2.252593782207772 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.575221467055028 324.9929273124853 5.359072060766823 2.115998104347062 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.575764017866883 288.6009142051235 4.67875588346755 2.11530326621177 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.575126147837025 181.6667574816342 2.942238677651718 2.175972587951748 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.575679045299247 306.5933039760154 4.849433146913555 2.205985484173964 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.580575757278218 1611.10946894622 21.6691924140822 2.404520036054209 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.576319123393567 175.1180591165682 2.714790369472325 2.261169992396087 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.576041155290431 201.8611102618931 3.027695161003517 2.326330808601976 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.575892202338906 214.7193706637202 3.42608279655406 2.197050352795213 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.575664930502698 220.5764277734635 3.593352225246085 2.141856008869318 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.575304904606941 291.808442239159 4.619521150795269 2.166916674150248 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.592611476927634 100418.1493975014 158.2077700717112 24.58366878331651 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_4 1.575269645094221 194.7730176167245 3.166820875307379 2.17412104587987 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_4 1.576180985388028 279.942300162814 4.457818008442106 2.191175451760095 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_4 1.576138818241205 396.6176317112432 6.204284721760822 2.210015515562136 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.580390286330607 357.0919566890637 5.38857284672616 2.279807319733675 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.580185025023165 703.8742900452393 10.87064899035268 2.200536579615354 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.580728973810553 640.546636287444 10.24268462935661 2.151180347105938 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.580033227251224 468.5817789552736 6.465502836899428 2.400172626046112 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.580658726672877 641.7349541271192 9.937854680988604 2.225261866646593 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.587735038561067 518.0375817788507 9.704239046095807 1.897018039787757 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_5 1.581232040296842 438.2094186679662 6.173561956761268 2.391519002216581 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581057851681803 447.9232425664243 6.623392613787864 2.283086386109498 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.580841491623278 592.3337373173077 7.968947285091946 2.4787098430676 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.580621745863048 501.6504640812636 7.63246108966035 2.218011420542692 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.580274960039806 703.2161824585926 10.23333275155052 2.301107212116615 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.580157083089273 399.774771337168 6.499582044521378 2.134175486962705 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_5 1.581135894845064 532.6704900285447 8.80599091311706 2.099999707733509 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_5 1.581011920589745 779.7981584621992 12.88353469717008 2.136611914730199 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_6 1.587494460827179 152.4915406943915 2.573009968208409 2.090982388323741 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.587243472114559 305.3434021851245 5.419692403153995 1.949662362301718 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.587755560462785 258.8024808588813 4.94489675818116 1.871239789890476 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ala13C-B_6 1.587091963370091 174.5159176429071 2.924352580892066 2.027928144083099 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.587737866008469 290.2292577978113 4.971207083892927 2.027928144083099 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.588167077761494 141.3425241180571 2.632847706100237 1.984756169778207 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.588029594200523 152.9490186045426 2.845575744020299 1.981655291124169 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.587845102607221 188.6804270064413 3.375572463539972 1.975824034519817 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.587654509775644 193.7915343356493 3.624125314147222 1.896967873330657 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.587297742176611 263.3268063827944 4.749034733437373 1.953321854202504 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.587214475681001 167.2940732979913 3.098373244649264 1.904436850761635 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ala13C-B_6 1.588207245253509 226.5450234953173 4.222868412987494 1.894950964471499 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ala13C-B_6 1.588085647294182 338.7164587222217 6.27897739819529 1.934077952420747 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.146693662683651 173.2618658422012 3.290038970836655 1.888115417707657 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.145580952339555 406.9294400956643 7.804598075896481 1.808692669047089 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.145667127587547 317.6931388359125 6.821022313464707 1.669878830736538 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.145722575877421 238.5939779123798 5.096062249736572 1.667487630348601 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.145640726942784 339.0400400950747 7.010427175700157 1.73393552089489 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.145849892537948 295.8951085553637 6.02266542660293 1.726165739689924 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.146319632222724 195.4684735631696 3.718537733274824 1.884651795468977 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.14594127501315 199.9669903603087 3.937188041505613 1.872508162960288 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.145683851687068 212.6166050245074 3.792160275006183 1.956327033220837 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.146001474552438 229.3817838083683 4.801770228016789 1.71992714730147 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.144849892537948 397.4049251796411 8.08869473366954 1.728743603685342 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.145739803453521 138.9128412137266 3.061635730352 1.626729978929239 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A CXP-6_1 8.145900428903776 145.588626651314 3.260265843668278 1.643546346375867 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A CXP-6_1 8.146649027817373 143.199962689678 2.932370380685781 1.800427539950727 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A CXP-6_1 8.146425520134208 173.8586336893267 3.427965634232148 1.808089412315626 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Creat-P_1 3.02316 360.650263 6.21535 2.024658 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02273 564.899085 10.490024 1.853205 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Creat-P_1 3.02319 651.314323 11.914981 1.897009 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Creat-P_1 3.02262 434.544419 7.745695 1.902879 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02321 637.813002 11.085896 1.965686 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat-P_1 3.02317 777.706811 13.41776 1.969623 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Creat-P_1 3.02371 588.99013 10.756663 1.91904 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02347 654.191571 12.366379 1.859927 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat-P_1 3.02333 746.646781 12.645836 2.027928 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02313 553.375603 9.933798 1.903458 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02268 600.663553 10.727064 1.909586 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat-P_1 3.02138 364.113327 6.787128 1.862812 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Creat-P_1 3.02278 417.002654 8.446801 1.77 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat-P_1 3.02374 418.076744 7.765058 1.890247 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat-P_1 3.0236 633.800724 11.741297 1.892788 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.01053 389.073408 3.17 4.282558 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.01018 298.067756 4.597056 2.324672 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.01067 397.501358 6.131739 2.354028 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.01002 378.194311 3.59 3.675797 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.01069 388.629749 5.981093 2.39556 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.01061 427.264325 6.435506 2.457024 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.01112 293.813102 4.822377 2.289512 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.01096 257.410762 4.227628 2.24482 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.01078 489.932835 7.342801 2.45995 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.0106 375.020529 4.71 2.77821 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.01021 231.790781 3.630212 2.347552 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.00874 353.274827 3.36 3.714972 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Creat_1 3.01016 213.93597 3.406281 2.297555 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Creat_1 3.01115 327.08545 4.964649 2.362105 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Creat_1 3.01105 414.26892 6.247835 2.409176 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.928464214336446 432.5850118993668 5.204914829794124 3.114813935169858 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928026004419412 805.1684752534995 10.32760560777747 2.876531839052382 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928395858150055 794.3968701016606 10.14948591889945 2.85006117546814 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.927879018063337 840.3416116638265 10.72889507618865 2.943494169859838 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928898780018895 1205.567774077352 15.34068905744043 2.879658563169163 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928694590685936 1070.534955356021 13.43358397712634 2.974350969366612 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.928919206144481 1215.223719685665 14.72201823104244 3.087425192567554 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928184705986746 757.0621199200657 9.616843652895346 2.672236010899281 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.928478997127389 1047.518660808768 13.40551839193644 2.920295355285631 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928771500813795 1119.905470438212 14.67795970075773 2.794528186579601 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.928193432400461 1695.960437849195 21.65919552689361 2.889068109592431 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.925804576292769 603.1433875581059 8.459716532615278 2.466399094155121 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_1 2.927926207840067 817.9756017248889 10.7063441742087 2.89883802779453 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_1 2.929180853608562 1232.851464754664 16.27578385178137 2.829893885980692 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_1 2.929115204982074 1058.921876410713 14.3578296747579 2.820480765252471 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.940948875143587 180.7917341622977 2.777042922053134 2.276701799219666 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.940617929841292 206.0708544279698 3.594035741506179 2.007358138108923 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.94114759288137 127.9522606112095 2.486086345608782 1.845263319252879 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.940485599176144 285.7257594090941 4.767789983508242 2.091044331158078 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.941123111505932 516.9895596036664 8.496023969974365 2.103494125830345 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.94119310066786 524.8518160919081 7.964887463410103 2.289282140065814 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.941637159686405 405.4557466436785 6.519060427057377 2.185921268245429 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.944338048148012 626.7928335000622 9.482909893653998 2.358195758464654 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.941234673968596 247.5792905471434 4.302626443748707 2.049319660307795 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.941088741161067 540.1120993308982 8.869109791198252 2.124882092803802 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.94068897924295 634.8131271218531 10.05524676873858 2.173316093675478 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.941928552347229 594.8317320003605 8.992224288305769 2.333652518045117 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_2 2.940603251521534 246.1289209550162 4.415471537118444 1.974778517607849 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_2 2.941533244838683 494.3737430346922 8.762858533475196 1.996300927338808 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_2 2.941488838800149 553.3445488353976 9.311883756785113 2.116695020379272 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.943779175509517 409.9517577406843 5.829387454944523 2.453809210427496 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.943591530101644 822.2136369787199 11.71456644103609 2.395111403468207 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.944046858513044 785.7966295625395 11.37418884880467 2.419494749641425 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.943366104872851 859.4095646709139 12.26963361186538 2.422212442120923 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.944004129355224 1207.308829192135 17.62184528656721 2.399281117072622 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.944014312764414 1001.896297302464 14.61347339363173 2.374822966076033 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.944415794700892 1137.737538607297 16.98322272317084 2.358638066621901 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.952020049140216 756.727268822773 11.08290452513094 2.431351716981792 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.944058691024344 1102.377548635707 15.96337092039463 2.43034068327346 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.943940775880753 1119.907136860792 16.683532884016 2.333379929391405 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.943631151090174 1724.505116489189 24.04305932895008 2.493130339768207 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.949614014948305 693.3354772024442 9.813718187927341 2.487819364868399 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_3 2.943430983840062 843.8841395747622 12.76854935108354 2.306068622501209 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_3 2.944409094728171 1332.654038828718 19.24813929668201 2.405568536739585 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_3 2.944275740301991 1115.392635947937 16.51961949529983 2.355909993995873 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.951886261927739 436.3380946841244 6.313913294331606 2.485788204438424 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.951630495323018 846.2370878217122 12.48192090449815 2.393421782147724 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.952035145486995 830.8628900619099 12.30951883219523 2.403635763882852 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.95141636514131 891.992822458121 13.06414653973298 2.444244935676116 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.952222924959891 1282.431144620742 18.67402423878083 2.411590225396118 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.952108431249025 1092.071561374507 16.20044934832189 2.412910762928551 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.95243983968816 1248.330265374273 18.33423175811035 2.484639897126068 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.968210230124782 772.0685176418169 10.40091213298942 2.590093116463573 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.952079847588044 1248.208490575377 17.33660646665404 2.557785400562765 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.952123122480777 1173.068379733767 17.76809289926002 2.344850623963696 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.95173550040478 1794.089188371903 26.17844008781843 2.438251891873161 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.965828255438347 698.9641557549727 9.82622730362802 2.521207962914124 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_4 2.951468462338828 879.1482255646612 13.27678632459031 2.392795620938097 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_4 2.952576963485742 1304.016064671006 19.68582031152018 2.385667990003209 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_4 2.952479673510571 1094.426310180821 17.14261299936298 2.334582263069788 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_5 2.967628971566404 316.0961825606131 4.137196383414119 2.654683588376365 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.967475344116469 640.5480807718833 9.12823468748921 2.466399094155121 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_5 2.967994102501991 668.9293289588436 9.57148333735842 2.466399094155121 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_5 2.967277003177237 648.342568412807 9.121452801480437 2.466399094155121 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.96791113794665 762.4108199739178 11.10155661366691 2.411590225396118 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_5 2.967865260674944 751.2886003300149 10.19528721269337 2.576016831673126 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Cys-3-GSH_5 2.968309933785433 883.4096760387474 12.87415779821075 2.440288321659705 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.967996890906824 874.3611808616291 12.60833782915346 2.464183203076112 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.967749631665128 798.0743228368744 10.75677088326103 2.521207962914124 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.967524175042883 1535.243306631015 18.65766415040185 2.768986283411896 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_5 2.967312757780626 640.4807124376687 9.585354520408645 2.364824803750665 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Cys-3-GSH_5 2.968301612599983 795.0071048803773 12.0529240501706 2.342817859523892 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Cys-3-GSH_5 2.968162864970659 684.9962751629668 9.960553865578838 2.39958248284943 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 -2.32391344357477e-05 23697.07042054916 498.9071414689454 1.722870292733195 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 -0.0003221341383243433 23526.77097592048 531.7454383002184 1.603260034678998 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0001221402485436133 23482.95923534088 527.4780385050808 1.596154900037567 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 -0.0004077736849609828 24250.90507260356 508.584490708988 1.681573475070367 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0001333737004070567 24406.3153857622 540.7358811386227 1.602789123411091 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0001498739657049522 23925.16896429488 528.6140570283799 1.625761476305681 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 0.0004199286577562582 23602.68597531772 520.060325953948 1.616570122019527 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0002955933115689499 23525.29925142521 519.7296656725188 1.634876065250717 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 -0.0002023660544292975 25136.5263582555 436.6933853920095 1.992846950045512 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0001006497589583029 23735.32440956138 533.7535020117391 1.600741546667728 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 -0.0003536995878643869 23646.81640299745 524.268678200601 1.614523163311542 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 -0.0004180559682572393 23908.45514090082 545.8923095808814 1.586010957784642 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A DSS_1 -0.000435652027525163 21834.99206053373 514.6503515514289 1.480374944401994 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A DSS_1 0.0004672005854306131 22839.75150217575 494.8750445987922 1.63908702280122 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A DSS_1 0.0002820401501523466 23457.05585230462 512.1890884671338 1.635280019899685 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.443104044213527 61.58607796928575 1.262387038342342 1.710121285584055 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.442991809506815 95.99546556303741 2.213120802430957 1.49113813081975 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.44351675234221 220.4376462022004 5.337198243274544 1.478297740965299 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.4428252559331 94.61643055998637 2.203510851344763 1.498243243746635 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443498407693479 84.95927595528599 1.928967637767752 1.556027516681277 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.44348261426759 192.7843185780517 4.178174039522863 1.575069765592839 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.44391987078017 89.10202886532605 2.127628262817096 1.509624187821117 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443775562352714 132.0563107972242 3.052089016424326 1.521658859514772 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.443540739971015 110.7022058936045 2.455968007841967 1.589457194011078 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443383429651805 81.37147133826541 1.860929742221721 1.525714076922556 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443042967110745 117.3941089177137 2.784269869152983 1.511685926561463 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.441217053632169 154.9598062712976 3.762670195773759 1.473201900376299 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A For_1 8.442887959068237 94.11462180220737 2.347918454790114 1.45559403364342 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A For_1 8.443930754411177 89.83538146030997 2.126115119085876 1.507104753661139 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A For_1 8.443746775133375 84.83999318648411 1.973400442203774 1.569820692926085 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.509652324396702 23.22228293975273 0.3935018291306151 1.881040860299326 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.509605370275934 22.43510795923393 0.507768125119866 1.498061851414579 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510173129525742 27.19041194237068 0.6856019958377344 1.416582852350718 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.509405960290126 38.00867810468596 0.9461001582472928 1.400860438960042 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510103586440141 34.09763240233901 0.852043026725599 1.396250975939823 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510103533339056 37.53526031065059 0.9030130050358458 1.461647645395107 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.510536590589214 34.17290819073422 0.730601153991491 1.589457194011078 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510258926421082 52.64189890777929 1.060762982234591 1.663934927483665 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510172943172837 50.30654947077536 0.9366190980757976 1.734688777830355 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.50996548336884 23.58183833156265 0.5672007550566422 1.455890243086071 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.509686375101061 40.11278451422481 0.971792889255284 1.430854584124465 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.507601351775937 24.91643389085899 0.5060574448042452 1.677274325015654 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Fum_1 6.509472289746807 23.67941163482501 0.5760488533019127 1.464493175272181 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Fum_1 6.510412134275788 21.09709061398479 0.5153589153108924 1.42503058773407 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Fum_1 6.510339447526971 30.26325052462207 0.6206079218184046 1.6570877565683 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.136452148072538 612.9721807323499 5.407059544222711 4.027746938577274 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.136089137129467 1441.577481251515 11.93300198442281 4.291166471140394 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.136580994181184 2104.950116173958 15.22289725489622 4.631541520247222 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.136072867369892 1426.362749436977 12.44810108212345 4.029253188373379 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.13672300529044 1955.975230903069 16.43459244545907 4.331924848301255 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.136696899834892 1632.050545236903 12.91607781034476 4.496524686486235 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.137010975298733 2702.402262496931 19.02675055840952 4.862208985422319 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.136888636548347 1900.317423548967 16.88617650284022 4.005044368813082 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.136803502650212 2306.435320072249 16.82470771109359 4.658445321635975 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.136440921404457 2335.892920531626 17.72253361505576 4.630385905849717 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.136125895880858 3601.536578949972 27.82067910416275 4.504365432106662 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.134565130452576 842.5627440347248 8.121775313139763 3.651612722817503 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_1 2.136019329311159 2003.901891742067 14.32157684279472 4.754806722895693 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_1 2.137194579681545 1723.048786361185 11.82252117758407 5.082205593583747 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_1 2.137032744479107 1790.948114079273 11.64657158587644 5.214875678440958 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.149458849555627 1030.791453285555 7.870548366589899 4.641883540064422 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.148966401792822 1965.060678539216 15.07226936396474 4.637618418758443 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.149449673814365 2088.345943360196 18.14166761976236 4.244013961707697 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.14895491657538 2358.974199132876 18.17273955823928 4.616820532840614 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.14973436908014 2888.871404787229 21.46684089328229 4.803438890933068 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.149677356133042 2669.65938070457 19.54556702874971 4.893555043864192 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.14996863885151 2527.928375565877 21.1570135347486 4.363096303494551 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.149579868929317 1999.335279597915 19.21262738223665 3.882561969134976 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.149616831434303 2481.080562445404 20.96309155765232 4.273739728077498 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.149570886909518 2921.706590112874 20.92582847351454 4.871748952027608 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.149053723217928 4617.742822486964 34.87423667655535 4.642915031724704 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.147608819410121 2063.716623925166 15.96960976937092 4.545794935211514 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_2 2.148971160697987 2060.535841720373 16.22855257842501 4.430281760536853 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_2 2.150191087999989 2192.152848768528 15.56865557640564 4.96999922212354 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_2 2.149960988375525 2156.632951659034 14.75183720376086 5.088431835879427 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.161856476178415 996.8043145212096 7.030045483615728 5.3466946474652 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161300154197261 2179.41148412079 13.15427556929723 5.911109899635104 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.161714044547178 2311.364043999024 15.91663517616628 5.287291079731323 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.161207349455065 2279.126975295534 16.29971447899024 5.109966826715183 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.162282809687325 2707.193379663252 18.11223759711172 5.428227440973648 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.162072868149511 2427.511458907862 17.64865664009976 5.127400510096969 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.162216798852008 2767.763616739518 18.13964924718726 5.63442586807773 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161899817730821 1898.107104547199 15.05447341312855 4.625812697782063 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.16177515538721 3119.60581820534 19.45631353518892 5.647025468572119 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.160865631801541 1084.720513631131 10.15506047412631 3.589221423066946 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.161519307305486 4283.953918398423 29.06564650030225 5.368873393494488 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.158308181327209 966.8399913130291 9.340240578967158 3.435331963484749 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_3 2.161302375964864 2018.424272433228 13.43569553164239 5.504286595746344 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_3 2.162491080783699 2343.97891653 14.02530594204772 6.24790424441021 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_3 2.162419675801083 2302.281159736965 13.36462340329168 6.238889933245776 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.17379229423032 269.9845716993772 2.468023302946277 3.972367101037549 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.173005138152936 287.9581660789432 3.814265544236129 2.608375106764561 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.173603529955028 490.5606257930224 5.496548330398982 3.032842704054241 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173341467870751 648.4291764676587 6.231859924963384 3.676877847073695 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.174473601763508 742.1120602562502 6.467896964062001 4.472220397188143 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.174279285578539 847.936377261794 6.889415532369944 4.651022137354781 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.174661332718733 765.352657040891 6.856893437079941 4.083632558718555 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.17386314271614 622.5242350460315 6.129201844047235 3.269362884566309 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.174034751637987 758.2429157514769 6.915043533681151 3.866918177701531 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.163639970313775 1115.056454165348 9.966206003543881 3.903893463541552 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.173759334525095 1042.537555148102 10.47908242838735 3.731299577110233 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.161318031435465 1541.435060078764 11.56832538761391 4.551544933737302 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_4 2.173157206137961 498.950554282537 4.821981354774882 3.587554187273132 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_4 2.174631012610994 671.1369402748485 5.049958678866261 5.023427803517386 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_4 2.174814544838705 453.3937048343797 4.294337949050576 4.235626979615581 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_5 2.175929377359368 142.8090044051209 1.803522847160249 2.743584244969177 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-3_5 2.176660110971272 151.0575292186296 1.696438728366287 2.892431595421967 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_5 2.174207031140819 839.1683633114931 6.65729254097158 4.508771633246154 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-3_5 2.171248174244981 687.2946908711034 6.134435820635874 3.561255972183289 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-3_6 2.174554327960777 403.91903995363 4.083711088425163 3.34239811749943 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.491107534327599 58.97425091071766 0.7589211246270982 2.760309563708457 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.490974739464213 118.0740124681539 1.694279797748436 2.562645073045783 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491376474525991 175.3892061855491 2.253997226915 2.751131088684313 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.490551509567955 141.591204037543 2.136604585989994 2.451211482586652 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.491284500666526 172.1560611814424 2.157174785441141 2.83926900259517 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.491559239476393 265.1001396749379 2.426097667099172 3.91767378159934 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.487154576755581 12.01998312852791 0.4245794547813296 1.086203730796627 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.486893686814291 14.54716422583616 0.4337501021674738 1.202445345043909 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.486643466873403 11.82899831543509 0.3675127331362143 1.186662302613317 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.48636729709717 13.46484812000652 0.4805164525369193 1.095115915666893 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.486136726852112 30.01909570680692 0.8530105697948973 1.297462335990277 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.489322534744792 173.9046458429958 2.206950077244207 2.902255199923664 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_1 2.490833386901996 109.0634783662522 1.537186028169099 2.592167380811591 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_1 2.498085429588446 213.8952685755649 1.78816683352604 4.173727625787647 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_1 2.497775062181755 500.8529827666993 2.80830500393862 5.648720005230216 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_10 2.582266644473544 56.12067831137676 0.8001596613203558 2.447243702345644 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_10 2.579551148037049 162.0689602294898 2.274474203817475 2.480489302248965 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_10 2.582827939612779 40.97450122055572 0.6802260198473479 2.163974719632131 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_10 2.58038300537176 136.0961262513976 1.865516408364518 2.616339096761386 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_10 2.580748535272564 138.6693349747555 1.556939942697954 3.295646977401515 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_10 2.566940000593859 372.4484870054299 4.878552773338098 2.710350708845098 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_10 2.566492238537881 410.6848316703329 5.251175887392049 2.72887133304463 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_10 2.579318314443965 265.9872591008665 3.453014387117235 2.642477165465921 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_10 2.579774258614774 60.55411905866359 0.9801468097027971 2.172485652792846 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_11 2.582702695947268 60.90513812574658 0.8941050421298037 2.351300469761215 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_11 2.590190517621988 37.96255694493161 0.5075003813525722 2.681919124979161 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_11 2.580200240421358 156.4917302435364 1.933033195523203 2.945223353836706 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_11 2.579415907892645 181.0923496748675 2.375424950832969 2.651321818687337 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_11 2.582384509554745 51.51946812791177 0.8729662349302033 2.102213049959144 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_11 2.589722218750242 15.73757814007644 0.3067414910482191 1.706445512370007 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_12 2.590053400688837 39.32059047712225 0.611721626036603 2.408908526539186 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_12 2.582796982380889 52.099322123436 0.8008753916865681 2.213020786389544 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_12 2.589617842594271 31.73081050665815 0.5198357643896075 2.385513639348917 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_13 2.589886782792663 46.04577511490643 0.7277030417705738 2.268622273294682 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.503760202200151 186.9752594234869 2.277776340704142 2.914738840241109 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.49747270949429 172.4261596907652 1.721947611475501 3.954277210044483 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.498761547008727 169.6757783755889 1.795930546422732 3.520084827469019 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.503444168479733 446.1001344991672 5.4851715777343 2.724692533563537 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.498553189721693 198.8278766386818 1.893039407540112 3.717231636623086 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.498138777690865 330.3657590812052 2.873073657554069 3.913931489722055 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.491708516273707 138.3242258897745 1.932293400518097 2.517841615548535 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.49161779578329 178.3337196786729 2.446020311832549 2.651443071376272 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.491311372610803 177.5220013538206 2.669940406720195 2.476638051503668 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.491084886567339 135.1041107727423 1.822526285630201 2.633518781908357 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.490662476632763 269.8465905406406 3.722984799673264 2.61940786079694 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.495762418353183 79.30538447994435 0.7056619507514904 3.819031358392401 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_2 2.503535550954935 296.0016921394991 4.229883256612772 2.486722871899919 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_2 2.504491835371174 159.5133861601348 2.700381060705916 2.170582020385741 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_2 2.50439457996741 176.0109244136448 2.540295364031366 2.417610702840078 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516680470756686 286.0167631074254 3.599915311715373 2.772235781467703 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.503593080071759 290.1138513008376 4.118027095804549 2.466399094155121 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.504165380187037 348.4872068992925 5.038296218164856 2.424746888678639 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516248296100458 682.8044784718243 8.919440209983234 2.654472777937698 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.504104090107668 384.999078967776 5.185866497370061 2.576016831673126 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.504025469308858 392.257074061539 4.902073423601185 2.681432361304928 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.504557014957695 400.3326809201706 5.550877263993649 2.521374594481133 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.504371318482042 440.102622050392 5.930079302593577 2.594608564972449 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.497788044218662 121.5375413477228 1.267197826660289 3.597304429502127 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.497498428952705 101.522239919163 1.08926091487297 3.368396159876778 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.497952072655904 126.0089934350273 1.598781619041114 3.175504448172405 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.502030374479802 428.0866877662913 5.162914523568823 2.77738313150352 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_3 2.516326586312451 509.4865304221252 7.230058567759817 2.494499662816221 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_3 2.517312631617044 358.823647621102 5.19247906034241 2.461562979533134 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_3 2.517053825743566 347.8598203152483 4.887736532445482 2.533019713427452 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.52910432502583 320.1369663962748 3.709951510651204 3.093813895480465 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.516395678267317 537.6656393594171 7.148886855117199 2.563663027808494 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.516920437753872 643.2587945129387 8.677464823433711 2.586567593584904 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.528590352988166 791.0720206959091 8.920963506036122 3.099303779140808 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.516854395943819 676.1683202980613 8.970957403671642 2.629946938439652 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.516829670330736 757.9873870529628 8.529631990253518 2.972989999091 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.517347721742694 729.7939216937712 9.51392842049589 2.676525119763395 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.517185764434615 777.9247069874057 10.0705361898079 2.652109136051927 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.504207315108103 488.6704597942104 6.324406068067212 2.671159362415401 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.503907085001503 369.7686657023032 5.00855412315031 2.576016831673126 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.503635067839842 664.7505867466385 9.264170273595258 2.521207962914124 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.51481759874898 669.6421518614056 8.418138934788612 2.685634569191131 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_4 2.528757114110409 608.0630830341495 6.953391081677384 3.04528440557853 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_4 2.52975466082265 433.9964866259163 5.722058986819494 2.693648998382142 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_4 2.520643171934361 118.4899022038456 1.292918527828441 3.079722931769176 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.541305195015881 551.9383729990706 6.164946228119604 3.044966006322467 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.528769854688818 551.2081031788156 6.690354024571291 2.953881629316699 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.529311625568494 767.4237327521613 8.294540771065826 3.166748007897931 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.54086035708568 1133.007297643753 13.25419175598379 2.904870044227142 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.52933920815618 934.7455276792425 10.09892312825527 3.145325384149483 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.529240152930339 838.2844200910697 9.180533792937114 3.124105519263153 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.529719330915357 873.6844466428466 9.577353859578782 3.185351415591994 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.529510320122098 744.4299071146148 8.290453335847348 3.185470229278686 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.516994364274059 848.3895593192792 10.80863401268708 2.718728949798587 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.516780802631868 626.3261491921218 8.33859972179328 2.620937795250997 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.516426609314784 1173.011842193021 15.41854594199927 2.654544064166514 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.526996625692172 703.4162510393123 6.807890846095917 3.617236421034963 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_5 2.540998696213988 996.5796823429722 10.74272822665907 3.038775799053089 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_5 2.533950893652 188.2832240818639 1.549507493399166 3.923665241650482 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_5 2.529594302768192 436.9213025979201 5.650980614265273 2.74741968640142 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.553867972827057 403.5525487906813 4.552817009042739 3.057241899014517 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.541002365787342 919.6811863397054 10.28139381350445 2.981627598646833 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.541545453411338 937.6108220208813 11.62650061707306 2.740443437950134 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.553479851226836 827.9520571884593 9.641402491291728 2.944021522849107 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.541552375683497 1476.117516422802 16.25480891764714 3.087534445675872 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.541454070936137 1494.734895748716 14.73483407605338 3.288532125540161 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.541929099745983 1111.477773002298 13.71727157340827 2.799817123817823 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.541817750511015 838.3402276890731 10.65845264898491 2.672842673663094 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.529338099914761 984.9681292005629 10.32178048881045 3.32964951134693 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.529254381817891 876.2639966111019 9.429390446665042 3.120378835013699 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.528812165042141 1345.383224284096 15.65766599116603 3.028867238787327 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.53924947715353 659.7598563578857 8.328629502767985 2.630825700432129 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_6 2.553592133243514 531.2110126958272 6.882544968895004 2.708644746528652 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_6 2.542075575733549 995.0518653650548 10.75111594492664 3.159885737538948 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_6 2.533537616328548 239.7426256223868 1.962068601209868 3.806398691294845 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.56641011387663 144.3549926636564 2.005850794620376 2.59940194799748 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.553662660692576 489.6572014251839 6.560694607930634 2.630825700432129 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.554242277964836 544.9363338241754 7.287966671388858 2.630825700432129 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.566125554816252 332.8632733176718 4.468902270878063 2.646871326912417 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.547156788423756 108.4080653409719 1.409782970819325 2.534278376509952 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.553993284426562 931.1158708686085 10.7775777047312 3.014487781745148 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.547942226675407 901.9692553944382 2.941659337268641 9.434676059385593 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.547480672674862 79.40560757045304 1.367147909283175 2.026593436852187 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.541576840750396 1073.593890589794 13.75492325574588 2.723408704479415 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.541454070936137 1341.167777945665 15.50424482067748 2.980175031241353 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.541093748262543 2227.232471136583 24.81873596242026 3.014487781745148 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.552066855109747 381.3474049628082 4.925790876071054 2.630825700432129 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_7 2.566248147690678 232.1770355086478 3.317139273169996 2.525222534482309 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_7 2.554529808049728 604.7109432677584 7.128327129476987 2.955553262166609 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_7 2.54188336593949 1234.061171367073 11.33544592499415 3.551572941321739 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_8 2.579528467364532 59.79204143010109 0.8257334283116203 2.526588274208192 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.566315311418018 249.5198788528665 3.337139035805103 2.608926302187736 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.566940722656492 272.7767860910048 3.742866167796999 2.542928042351715 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_8 2.579058056601611 136.6245423767143 1.880067511222292 2.491295470808672 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.554112919447449 1100.651468317439 12.36763025710687 3.041867631485297 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.566581607620596 368.2792705005573 4.731084647729006 2.740443437950134 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_8 2.55461314736508 745.5825377323098 9.228418311052202 2.819028178536803 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.55461314736508 391.7566675609966 5.543572331264075 2.479405373203017 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.546668271215259 1050.874328096334 2.879712546628314 11.50555246331108 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.547177064480541 140.3547794802272 1.687462334629899 2.863268171593829 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.553684433952437 1514.810053249458 17.54864033617858 2.975235714199803 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.564892327322309 189.1166736120383 2.788157573898513 2.30494069857862 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_8 2.579220787974955 65.87509940917552 1.057665745491146 2.219422643324556 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_8 2.567028607442098 214.0883502934285 2.982679545309062 2.548551918135453 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_8 2.554338095558398 752.6489509793078 8.107301834001792 3.199425675639045 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_9 2.589878072928042 21.52611202331966 0.2826414597938169 2.685634569191131 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_9 2.579136587909851 110.5502948923788 1.401921919718586 2.717992844282565 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.580108857946157 133.5406433326697 1.621737661664336 2.952292991065296 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_9 2.58218558087842 38.23983085032318 0.5640733528611376 2.218956478948542 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_9 2.566637402134761 431.0800535655688 5.524137185449585 2.734020327421746 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.579533720681775 179.0131912915825 2.108146371375108 2.885569401033887 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_9 2.567268376239404 330.9121284864681 4.525004300585763 2.602354644825426 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_9 2.567417172336074 221.7252090419838 3.385274576562596 2.316911079698885 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.554299216545601 738.2390032078107 9.227766545968167 2.796172684900553 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_9 2.553973470038672 929.2393610568846 11.53564561288031 2.85006117546814 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH+GSSG-4_9 2.566329822819494 606.4704355482256 7.905942411331454 2.701636792276401 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.577753742499775 83.95229805916792 1.145202108493679 2.403158091740887 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH+GSSG-4_9 2.579973188467276 57.38833835304965 0.9044770853416344 2.264066051229077 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH+GSSG-4_9 2.566780124585865 235.9465099976595 3.193511375555902 2.611877853150549 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_1 4.5554 66.845882 1.075689 2.390154 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.55507 112.211636 1.548197 2.487948 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_1 4.55559 72.796701 1.150719 2.245104 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_1 4.55499 158.701956 2.244374 2.4639 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.55561 306.115839 3.868311 2.689129 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_1 4.55554 242.993843 3.345028 2.54107 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_1 4.55607 179.204451 2.69699 2.382297 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.5557 137.29277 1.974989 2.453445 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.55554 315.587963 4.253509 2.540241 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.55506 347.507119 4.606387 2.583172 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_1 4.54871 30.14685 0.438788 2.930358 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_1 4.55507 119.253415 1.83572 2.312953 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_1 4.55608 236.455787 2.989963 2.759402 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_1 4.55594 297.087065 3.557087 2.869986 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_2 4.56619 241.516185 1.892482 4.898434 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56372 134.428979 2.003994 2.279522 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_2 4.56438 93.412393 1.402853 2.27372 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_2 4.56361 194.834949 2.793695 2.385719 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56424 341.276052 4.570661 2.477431 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_2 4.56426 338.784358 4.328558 2.621763 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_2 4.56468 225.690294 3.393189 2.322944 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56434 155.381089 2.427991 2.236599 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56414 337.3224 4.925272 2.31569 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56371 412.642369 5.621978 2.483163 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_2 4.56498 86.12802 0.896708 3.343341 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_2 4.56372 155.421828 2.400002 2.259599 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_2 4.56465 265.10434 3.875628 2.378742 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_2 4.56453 348.204111 4.415863 2.667176 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_3 4.57575 79.102034 1.149542 2.358318 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.56696 123.453171 1.768534 2.44725 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_3 4.5676 84.214449 1.278147 2.298989 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_3 4.56683 190.636984 2.48579 2.574714 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.56741 332.466433 4.236789 2.672118 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_3 4.56744 294.550208 3.577815 2.697909 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_3 4.56785 230.851965 3.08571 2.610415 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.56749 173.265828 2.394516 2.538188 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.56737 357.049066 4.630588 2.586821 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.5669 376.720601 4.806579 2.634538 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_3 4.56684 164.354875 2.26 2.521029 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_3 4.56765 303.493299 3.668951 2.833769 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_3 4.56766 363.633532 4.04815 2.998587 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_4 4.57542 153.722204 1.836976 2.777339 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_4 4.57599 106.704846 1.379851 2.627842 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_4 4.57525 230.215989 2.583861 2.924004 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_4 4.5759 322.463444 4.01811 2.76123 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_4 4.57583 357.292349 3.806495 3.069297 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GSH-8_4 4.57639 264.183593 3.076898 2.843493 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_4 4.57595 167.355507 2.277052 2.570052 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_4 4.57581 374.473721 4.546008 2.740443 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_4 4.57538 496.241584 5.147141 3.11372 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_4 4.57537 121.538862 1.819547 2.330587 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GSH-8_4 4.57626 279.810099 3.103018 3.065359 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GSH-8_4 4.57618 297.246313 3.583119 2.91862 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GSSG-12_1 4.753747933288934 80.01643697277416 1.642443251716587 1.699886000270829 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927819661686613 49.06365037716552 0.5703525355577967 3.055681661117577 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.92789043335151 125.0058595987204 0.9866998749225088 4.454211586629365 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.92840862033343 207.1107486444398 1.118819092402544 6.273287470097517 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.927804736501438 117.2568545039387 1.007800731984651 4.443584062822728 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927603970421411 134.7605264274847 1.001537261963141 4.938308024520885 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927953493962736 127.0856177121785 0.9916236343640907 4.862664824873889 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.929461733912301 95.23561622060515 1.076046195129506 3.355335178954239 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.928528302692789 128.2765111338605 1.299709667482152 3.719165084289797 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.927953623989704 103.0410864940509 1.121919581999856 4.007620516929031 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927890246900266 92.28607777570454 0.9500470225067599 4.135111919053464 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.927122422522673 240.7685663881572 1.380505530496641 5.775918068227086 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.925168670091254 41.35242041190293 0.4519416502196792 3.013162359559235 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_1 5.92785128976028 50.88790283057793 0.6869351552361079 3.181565325712803 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_1 5.928966812585056 75.92775930691876 0.6080069871027806 4.272885360014851 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_1 5.928636896736211 83.80980332677206 0.7382100089717563 4.307642892251164 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.938129977471223 36.23683115273352 0.5926451032985641 2.30636881632553 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.93810098381561 64.36733621067383 0.9030976275837801 2.627740059876172 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938232056632315 55.42301572517696 0.9028097495707363 2.746742362932773 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.93780224324417 63.07489757222617 1.017077570256752 2.687731147515575 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.938199166236888 51.39185950261775 0.8504765374434049 2.447337722242547 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938243016417959 63.75679269598994 0.998536780374239 2.640619248517764 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.938692765899224 82.63207740472565 1.255939445346291 2.496345951628598 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.938516096095801 88.60669054891919 1.421254102483882 2.645224753417672 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.937828455231214 101.0382157137571 1.204251671993722 3.035946663797445 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.938090686626518 73.08812133543812 1.012874459283411 2.76312595994957 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.937746179828919 90.00413362996721 1.165124145749785 2.883421268953369 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.935694176235531 19.44363895017376 0.332924891881324 2.057537378860136 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A GXP-1'_2 5.938072303277367 47.2450281869753 0.7224077771813293 2.555880788239903 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A GXP-1'_2 5.939051202181227 32.56565426239152 0.5387545735728079 2.338727723932905 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A GXP-1'_2 5.938794328273663 44.16461679109732 0.7123078846356617 2.423112671623909 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.75026339795101 420.7862762072593 6.848906683739703 2.137545881601105 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.752022818633042 8623.164887110835 71.81031352692408 4.36363406758552 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.752489162435506 11157.408502317 87.47313015373119 4.492100983417165 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.751627610816371 8847.369775118073 75.04755261565832 4.266582538141343 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.75247040289825 9476.107612504667 80.10371589400592 4.241348073091602 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.752408824017473 9544.47007113056 85.14697043759534 4.053975638970178 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.751293316499087 1069.997353803573 15.44123147527117 2.437220716328219 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.751241802949604 1412.009300705691 21.19300682667321 2.527957566634874 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.750901130221303 2318.146149968374 30.58955774657536 2.678070889967235 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.75240043496703 7777.308103706534 62.53822600157665 4.502532641606389 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.751927759585599 10391.14193227928 87.13906671404001 4.268628700828232 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.752384078733363 7816.261979833281 72.12608011873883 3.615484462194265 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_1 3.749956064894693 737.8767222384572 14.38734981647991 1.8662733238915 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_1 3.751002089971689 899.6484871870078 15.62515787018332 2.051370996211542 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_1 3.750796063112456 901.6703349456619 15.32323721617962 2.055031899802666 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.752345806140394 3138.23129781853 27.50610605706413 4.090556823336538 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.760795695474579 4507.215318187231 57.24845147003542 2.747106669049812 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.761390754988935 5555.368991812647 73.23529673533304 2.70825983286982 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.760795843930231 5539.381945085917 72.02491950156485 2.720165987202581 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.761371768549103 5092.813524341904 68.37498042051645 2.65161257004763 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.761298509274455 5968.985514384525 70.68526994418843 2.846577886631983 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.754830576654946 2901.922031341191 22.39726686026489 4.678410941069907 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.755037276175525 2956.169379649497 26.42378450457352 4.124638223195408 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.75446883485351 2940.22714504583 30.17351138340548 4.022681312880795 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.761224848652098 4923.679509629607 60.78405114162239 2.82880740958948 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.760844487125085 7763.337489924279 102.6359031095372 2.711912994486333 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.75989133601186 13134.12230224335 98.94684800885672 4.535417415623516 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_2 3.751759755795681 1491.267184707095 18.56242484973647 2.852931671775359 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_2 3.753018147644527 2027.793623917953 24.24628540430082 2.93562289194528 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_2 3.752455584311601 2648.448047428823 27.24901091237317 3.484715355789204 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.761178218454345 2335.832240055367 27.6694246398421 2.945591252011209 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.767345183158922 9948.574824505169 59.91834313581104 6.076839934064413 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.765938759203904 1996.64611764722 24.45944144039746 2.703422667553051 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.765119105336879 1148.747259879572 16.91781330728519 2.309732959774457 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.768351332173322 12412.32084981553 81.90812639941173 5.581236438664943 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.768130203435739 12333.64843217716 85.66651357177129 5.218753060621701 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.761566300281469 4243.973572140741 59.59083140252456 2.534022060989988 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.761546549890066 4173.775214755869 58.26829830114596 2.596605671945815 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.761391928039872 6112.175333464769 73.63509978941867 2.926332350900669 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.768949191070792 14568.12140859956 89.83199258272403 5.894372618117139 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.765374353683546 2953.796442604307 37.20566017559157 2.632346813856537 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.767500572543351 8237.485704309049 45.43128432374706 6.00480692181109 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_3 3.754409125276875 1757.256048317978 17.04078135338753 3.598127131380081 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_3 3.755687003512928 1507.67220099509 16.09619152414649 3.278861240840029 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_3 3.755489657914955 2903.554522311894 22.00138251684254 4.446873204709115 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.767989286634116 4626.581714320839 30.31884351074021 5.367657489645647 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.773665666522744 11868.18517824137 106.5486119527514 3.847391388596831 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.76860216954309 6387.523790537244 46.77068929850466 4.728280637788984 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.767818402630247 8181.237840567313 62.08727192692989 4.517926092528367 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.774112278922356 13127.3673524452 120.068168087137 3.732102458608732 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.773941542068036 14210.67590372665 129.989754111317 3.801702793382136 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.765933662610069 483.4968996356224 10.41324681214864 1.664714316657112 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.765712678980863 334.6730492049658 8.89159686956219 1.387690269608247 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.765562785703896 264.2499687930349 6.826207965774877 1.400586656937792 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.774259748062172 8742.183862812877 89.38833480145988 3.395807495110639 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.768808330287599 11655.36294816128 93.65959644023272 4.461697413541168 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.772041672396874 8669.45304032959 77.85812415740536 3.828979296398987 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_4 3.760691403094802 3872.306295829338 50.85206043511228 2.694140696255036 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_4 3.76168097626202 4449.775916874508 56.10769862514175 2.780871138872813 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_4 3.761598879611905 3659.506396759483 49.67030751201558 2.65108941187657 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.77381786792064 5995.188355508327 49.17852900080458 4.05718151159205 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.781534344814495 6087.101779960341 67.8546549828312 3.216307109352087 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.773995188940646 14276.78472477347 128.8960154408622 3.872777511256411 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.773330978905425 12975.80202936901 116.5472038409831 3.880915927172098 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.782075442835307 8144.194301899807 85.60082570191078 3.319717546315828 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.781905970916302 8441.627499272456 93.61283703576795 3.254789553898859 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.769841299914722 6119.454179858782 52.53310000116738 3.99150275154452 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.769539019684908 3773.278252994277 26.92105946320493 5.107664389180202 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.769472934099476 8202.599934326685 57.70162305679179 4.918523086344433 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.781952215373131 6857.22632012304 68.04072393949443 3.529946517440312 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.773886891744358 14455.14856221795 147.6903417443807 3.411904160214657 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.779126304192709 2213.918497061948 25.36558604656461 3.292263528637401 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_5 3.764977833719364 495.1269735900852 10.64335380695538 1.677433456914277 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_5 3.769260440823214 7898.681007375792 63.47583676184301 4.556380170968775 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_5 3.769233632191007 10473.07166708583 71.09349865379087 5.453946328260443 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.781675849693118 2191.106423771961 25.90920239418302 3.108212993325728 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.782011338159574 6379.135551394877 76.67732848099621 3.068029737544361 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_6 3.781282314530521 6197.194262877471 73.00602187478327 3.129593943740937 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.775101837151396 6672.718540572184 73.14818055441876 3.032623700241675 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.774810994116853 7158.41533774731 76.86509682376457 3.085474269392785 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.774636844584911 9846.101995206762 91.22068672421089 3.588067629136774 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.781571794865845 8358.894507629495 94.09456201956009 3.1850108273128 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.768512663116853 5930.747541966851 43.95672377407987 4.603443396287111 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_6 3.774924855186819 6549.055445243069 73.64607744020162 2.996233801663031 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_6 3.774733271449551 6954.395383538046 69.25850683778643 3.350399406826461 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_7 3.782247317285073 1793.397171589641 19.4517599515189 3.399140732706742 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.782079149966223 1357.554266785621 17.46291506637839 3.119757981595771 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.781953951833411 2987.935527275113 31.4961926268326 3.558496494520418 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.773940753854587 5964.000807640737 64.35751766115118 3.151035770049891 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln+Glu-2_7 3.782454690995315 3354.242956268072 34.45448507807719 3.490401177642141 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln+Glu-2_7 3.782132147153883 3284.652678734878 35.2849864625578 3.380299557818356 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln+Glu-2_8 3.781393586835108 2354.053710252896 26.55700083361728 3.256471584044509 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.127714546833807 120.5505655342127 0.8362310957926071 5.113627184619534 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.128525420439599 223.1375228138369 2.049637927264315 3.701772002186187 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125194058698375 820.0730307109444 7.804419840938039 3.666085730345266 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.128478683128725 110.8916168635617 1.627403058208696 2.096675517642546 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125098875419771 693.6281047203411 7.641950706864852 3.170054411400119 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125330302697757 653.793297086786 6.107890783903194 3.594176463615588 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.125661012470476 1058.124656663536 10.08446757524824 3.599413109535498 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125261270317977 923.2629442562429 9.027567351824022 3.46772281219198 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125315354437258 894.6766389158244 8.902622546440318 3.526820350595777 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125061841811841 1065.900963006667 10.15409200608732 3.654458396479637 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.124663417540813 1769.909310172584 15.82990649819824 3.858007231700966 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.127329522234072 48.59845427197074 0.9335308419723617 1.769053780251751 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_1 2.128528132186313 80.57715863811123 1.742651973720908 1.531301382256218 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-3_1 2.125834514811686 708.8752217579541 6.90346749986585 3.619701273496862 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_1 2.125577486222105 720.0036096009562 6.921692044050927 3.541825902585253 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_2 2.1288924666748 396.0347696990148 3.246447565855174 4.021662345424096 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.129332346999977 139.5330206763306 2.212771669879816 2.008969691372714 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-3_2 2.127357658913016 594.0545747379541 2.404674053115638 7.914140298508384 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.131512287184473 717.8817015524048 1.334332078007833 22.11311883494597 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-3_2 2.129958785106056 331.7828966365034 1.070962850475532 14.76621968032842 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.420320872358819 87.5813714271144 1.714277637989797 1.831711935543598 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.419968720198013 185.4073394217734 3.890721576081932 1.708532963764675 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.420487173988288 262.5027773903466 5.18956324876092 1.783638253413369 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.419843029321961 186.2677697184168 3.707695298060774 1.786536519486077 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.42042485046399 284.9398249622964 5.722392931425771 1.784176710125307 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.42040709934403 190.2707441856679 3.633712391056733 1.848471280838992 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.42092978096065 345.8068644795358 6.621122018503355 1.868243769761263 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.420745089355589 330.7063089641897 6.675246770249844 1.783113690885306 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.420544371702915 259.8871125155936 5.230012668100907 1.78159340718671 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.420372291294818 332.8069254203483 6.796675505333909 1.742131312187855 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.420009490600137 489.6269787055088 10.00196281190921 1.753883800288086 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.400459660179895 219.6095454432115 2.611605299758769 3.070859014975408 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_1 2.419954728133623 228.344946071958 4.925985851942957 1.683257030195328 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_1 2.420888628362631 164.2764119128485 3.614575516158253 1.675596608909582 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_1 2.420743434413456 178.9495735430041 3.758663861827167 1.755289464358621 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.433528926303783 352.1632491612208 4.680630664543168 2.707318363274344 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.424655401184399 49.66724396682283 0.8052248852618921 2.169904156692539 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.425124180005271 39.60530402960034 0.714884300865637 1.943124046275392 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.424365381158341 20.35965246915841 0.4352678635146183 1.689864224010141 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.425142704592193 77.38775186374893 0.9732137067354104 2.709073069781001 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.425202492045806 55.6735447645638 0.8589425281736982 2.292434372099765 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.425567331595545 41.29599795650403 0.6817778597461346 2.265568897610151 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.433985117903644 1323.269479940116 16.8913101272805 2.73049486110475 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.4251995722508 32.63338189857361 0.5309991324930124 2.292766815211762 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.433636200691156 1317.328135585989 17.41883753415856 2.630825700432129 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.4332127617752 1980.659075709651 25.23321770376026 2.740443437950134 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.4147274067412 5269.620415836452 9.776675320497649 18.21668884432834 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_2 2.424483207539652 27.22659150843771 0.6532250914750701 1.613877210065606 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_2 2.425946622282078 129.5161645459414 1.594673600751327 2.951638192870276 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_2 2.425719894762491 99.38939759221877 1.436150687850916 2.548518763264932 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.446036515293261 322.2830671073556 3.994623026502246 2.645013590617796 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.433225760192509 850.5856033277731 10.59506493374674 2.786724930980719 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.43371734475403 1016.878501607469 13.21152980038437 2.685634569191131 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.433014267942593 697.607113633329 9.271369967079972 2.685634569191131 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.433716609195191 1214.412690088253 15.1260933041859 2.761230307565635 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.433524954663679 778.4773536790295 9.471808183407216 2.949589516717186 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.434073987658138 1324.704482599783 16.84640841672618 2.738466750070698 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.441706444283027 95.97041762451444 1.280834202889659 2.708371929203714 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.433836857471344 1167.077547709756 14.09113488876502 2.870890433964163 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.446272908374068 1132.369363552772 14.48132070002157 2.509437934939315 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.4459829001827 1681.123721424996 21.0372700553446 2.566116484008781 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.424207951912042 781.1701224372147 6.10718314653776 4.545794935211514 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_3 2.433174977563723 1093.626020503477 13.46569656716422 2.806579936218774 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_3 2.434098398149902 862.1847221035097 9.905498033476462 2.955311044939491 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_3 2.433899454987967 939.2507344164707 10.72765976610354 3.047729519898185 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.448592258837642 100.1483383148843 1.507267706685817 2.331661806277302 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.440532234836898 136.8019311419137 1.460997764183287 3.394792722608172 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.441076927967052 142.7397211258192 1.586863173152672 3.168091470957255 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.44572414593955 758.3771679307259 8.43947483196991 2.807865378087988 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.440750583264641 176.388632962543 1.889116293864838 3.368436197708704 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.440647323675682 190.8724375619787 1.732613011471675 3.942212852627846 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.441273411333427 312.1187353705236 1.69120890519332 5.95541867948767 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.446606689667734 837.3407878189087 13.26327040715113 2.187003372460744 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.446428337211077 806.4450117907651 11.34542769725677 2.404121265768675 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.448879101507964 302.2953349397182 5.298879650940457 2.007333793947159 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.448569420131674 355.5738380775979 6.661128486933178 1.880079640720272 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.431474800724398 389.1071541488989 5.221599987516549 2.704784081914651 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_4 2.445763321493557 707.6019395404992 10.34975318054986 2.301008589770049 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_4 2.440539657094972 551.9491432446474 2.581769494935259 7.881940738488565 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_4 2.441236439922842 449.4161039525863 2.51279729139902 6.589186887976808 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_5 2.460352436420818 112.4225025170828 1.71594712936472 2.314390200348763 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.445886270236028 676.3802058158133 8.93983451527801 2.498757369246555 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446443168993505 788.3013403054294 11.00342815432024 2.423911224930543 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_5 2.448286980872218 112.2280974716353 2.187303816896223 1.792531357272205 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.446364366969063 875.0840387217302 11.90603379191968 2.433022015085095 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446380796383406 719.2168537442129 8.393713908966477 2.799433422530643 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_5 2.446860079349678 823.4628976584469 12.97434240296607 2.214571173202329 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.449263695430582 359.307229925024 5.957133912700672 2.114007642432637 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.449162849640957 287.9806667649564 4.63406947430589 2.126052554614828 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.460549669606934 405.8579858448751 6.612703066272748 2.141539234494913 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.460208286129793 595.5270807764177 9.536184616757739 2.199275473024426 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.444131149829722 525.3522268522867 5.068920726730934 3.189060175986719 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_5 2.448473044235608 327.9515039203399 4.678104886040377 2.327719465689242 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_5 2.446774665100504 434.5998322766659 7.073703430442047 2.130813129641586 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_5 2.446678318256999 529.9552997326932 7.800623993881143 2.344407322998604 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_6 2.448570947858121 187.3115442148579 3.239116104147823 1.987805777794831 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.449115593980765 202.5897332908124 3.808166006821707 1.858252743041094 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_6 2.459931334137305 233.7339174026391 3.48531868452302 2.305167469300955 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.449071349683516 351.4245921262944 5.221914531681532 2.248207671213036 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.449079520930403 130.737581366755 2.326733488150188 1.932770045353133 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_6 2.449592187948443 357.9297418530591 5.875593205855399 2.081605018992879 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.460914736656204 375.390584786431 5.997825068308176 2.193987003894917 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.460712039362864 298.2310908893495 4.760139439831569 2.186070701563626 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.446702792205495 62.00726307321463 1.046591957508214 1.913452485786493 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_6 2.46007909268131 286.4105701603368 4.68018568445788 2.135290261570781 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_6 2.449507407374821 333.5533245085638 4.384225122916202 2.522023575220114 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_6 2.449455174861336 262.7984659194989 3.820885417144613 2.315926006089219 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_7 2.460105269336483 213.4239655557408 3.471074742670294 2.138056842469386 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.460604182638419 287.7758687641432 4.602651838550912 2.181610476879672 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_7 2.460625710659845 339.3047099669508 5.530920828575947 2.168419300744031 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.460543264313906 219.2195652453026 3.379566520982879 2.282293684477958 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_7 2.461066121752055 365.5165133751311 6.047182329782241 2.151723197297196 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gln-4_7 2.458458836133943 103.807392894838 1.804433986456721 2.007327557954499 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_7 2.46108416352825 196.7956166088739 3.300460618510211 2.080519674877217 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gln-4_7 2.460923152075375 196.9328715719277 3.331024588457059 2.119663731667284 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gln-4_8 2.486474976536081 13.69661072761597 0.44362405636469 1.149019390130114 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.112712012817723 83.97892545255695 1.07759637274364 2.794092543369593 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.099870666413609 43.19703090702445 0.6298760626812613 2.626662041923461 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.100228899540327 57.79168744164084 0.7914462113269147 2.730555397240785 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.099801721766742 65.17504269126256 1.075068591366935 2.137545881601105 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.099893950764929 21.87785058773144 0.416990475744109 1.830667526604827 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.099902328623647 26.47771769706242 0.5395632893466303 1.743177225435043 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.100834909259625 39.56271107482153 0.7595748138835021 1.909517369784046 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.10076199148596 92.53585437277472 1.271171964213465 2.812645816247019 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.100587057973511 95.7751840912257 1.369878412357721 2.825025617450917 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.100557664110326 100.6307680848645 1.214530882697668 3.054736765406697 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.100081922942542 164.3298744011931 1.856926971992326 3.087824866510946 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.097715446798389 11.26737692085256 0.3026793558784318 1.377376898276091 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_1 2.10005640918017 78.37218141745458 1.12191713959611 2.650488673888049 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_1 2.101063064768177 67.71873196691963 1.146792564306972 2.455125286371969 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_1 2.100969666624985 139.2751247228094 2.152091680318634 2.690823452313394 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.121883208233077 152.8375702786127 2.351681640703378 2.345660817248573 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.109372800282632 90.94561227972896 1.703218344835461 1.864057641395978 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.109971619824948 125.9820374273298 2.275968908196256 1.943744320398078 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.109324429187789 76.61410316408075 1.423920792512127 1.87738719681652 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.105468813996498 23.55770375546476 0.4318010719784672 2.330825605341979 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.104363627862503 57.38509711305658 0.7118044898822017 2.89044687502033 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.110454873803663 141.9903470543439 2.598880884822802 1.927832107382858 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.110231022279496 150.2984861834084 2.805288033851841 1.907434898253992 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.110080171152927 119.7951880216926 2.305470081465189 1.893955759110114 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.109802832580961 156.75721710074 2.92926630551127 1.884428061133429 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.109463368076332 252.0473040579837 4.415457270413388 1.980086556162107 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.107802758613882 26.8724079095619 0.6179722525742777 1.559064927076922 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_2 2.109423462107562 110.5651174810803 2.137584745399228 1.857564458623151 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_2 2.110369416780291 61.08944649707016 1.348623964525332 1.671394787872466 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_2 2.110342912550935 88.15324076813582 1.635267280658255 1.932751991552199 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.124809910863648 201.9454568913452 2.238181606071813 3.088117556309541 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.112769176898109 187.0131301024927 2.640270900236843 2.38913963172855 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.11329734779286 204.5762616991427 3.139941685778275 2.254592474216126 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.112564985395165 203.3790809155968 2.883907341063313 2.439444222232554 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.109904213057131 134.4393775630002 2.329541768163392 1.985028066825195 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.109988082352821 111.3538064464663 1.524637162106309 2.358799782426188 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.113707690393607 270.5667491804899 4.086983309608756 2.306229265067057 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.113556134598971 249.9011867099551 4.150356016709726 2.133197566489163 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.113382345154699 223.2658910679559 3.6297029709285 2.223962197598235 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.113159696455198 273.7240721861616 4.244842107481647 2.24676252250365 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.112847738491106 394.0492574351027 6.167882415745873 2.218907134708525 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.111077596835155 266.3557477032683 3.038881371968632 3.058294384706066 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_3 2.112733429641412 217.1792900265677 3.452783875187603 2.199947688765904 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_3 2.113733084722142 208.4212305691507 2.928935995645853 2.41812821642849 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_3 2.113705366530189 241.2992115729623 3.86349298517714 2.216573503423424 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.121427885027033 425.60157405565 5.168347973885636 2.847026687597481 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.121928466168192 395.3381597332323 5.384205944329478 2.546862790279225 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.121399386896063 373.6800181157549 4.409990145676788 2.903629579326604 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.113185556808882 290.0189995910662 3.630659916553945 2.645454325461317 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.113151399866673 256.1513900779664 2.832020379978953 2.989602002138848 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.122411322090492 590.1270996983427 7.450981587924984 2.713947627482831 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.122168440145862 377.1316536145518 5.903109096421683 2.297682290501029 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.122080490122273 468.2732482611713 7.078167768496976 2.282755326646123 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.121768253174711 477.668143607448 6.053617231203906 2.753228666539977 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.121242804996926 611.2569342853843 8.131221845428472 2.717859753460292 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.119162617365759 246.1799299358776 2.120006321330468 4.051785531318907 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_4 2.121262619558146 356.6848060614371 4.645184050493902 2.673569556359792 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_4 2.122353484962859 301.5891544500116 4.071799404981459 2.574410484979802 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_4 2.122346306173483 323.0058239630357 4.433414587719849 2.489642749844885 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.124608889439451 528.3150233414298 5.475420806168298 3.33277257920759 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.124658956138926 504.4137641301984 5.676287704605588 3.101346581112974 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-3-b_5 2.121930120463748 577.484363685744 6.954463823347031 2.80692028973645 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-3-b_5 2.122015050561576 519.6777048790376 5.350423713305461 3.207125271214732 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.123187788017838 436.348543931869 3.678800281938907 3.89699491787259 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-3-b_5 2.124478968576071 882.8875382541016 8.166766884812532 3.788123353444584 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.323752975733348 87.97465126880115 0.5929666547179956 5.302296423548255 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.320953365503347 76.71977697273161 1.103797271654919 2.35386811447392 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.32167544037182 112.5517157531745 1.354734713011813 2.644987291886796 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_1 2.321825041188472 141.6488047392751 1.952006339159254 2.942464799411063 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.32323272015616 137.3278170557305 1.986945537130819 2.411590225396118 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.323345407424591 236.9507233176589 2.796187643795712 2.822160350437406 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_1 2.322873356601348 123.9592467919845 1.6375754748853 2.826706433004124 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.322044747978548 151.6681278861139 1.952781240180565 2.663377418617534 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.321587835602542 133.3990951641379 2.107864219187913 2.161284816499174 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.32170879557995 184.4912661362218 2.141651373807196 2.823557260293016 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.321410509081502 292.3200830466083 3.081144322833087 3.098447633123687 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.321242772953441 106.6042393901992 1.561205612157308 2.310128631091562 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_1 2.321740487429441 176.0773045471985 2.192717666080749 2.72750475262808 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_1 2.321759086507847 294.965364641895 3.71095884175397 2.588522196964345 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_2 2.334515356051116 77.77084740594819 0.6351402283574636 3.767687257563223 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.32427637519379 38.46479620607126 0.6232313168343141 1.995538599511993 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.328282210057762 131.7576558408641 1.585184700010516 2.748141791511209 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_2 2.328166281717385 176.3302201494428 1.719812663297696 3.675972054620175 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.330001340964191 187.4140306516201 2.162165916792482 2.785600453503691 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.329849999526413 218.8413621210476 2.625963635191401 2.947965618372889 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_2 2.334748963881137 493.299016435344 3.01402382281263 5.437348821244 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.32852296266549 106.6880771067374 1.601999547491099 2.299020019338761 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.324770097559754 41.67948000341062 0.727106951813223 1.898381020199745 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.328394958525431 143.0388905227857 1.959309325618453 2.432086343651326 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.328065767134634 227.1002830384118 2.887029416721238 2.602295256968328 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.327822288590046 104.0662945973294 1.484673428869676 2.314029722541834 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_2 2.325151752135381 30.60140969718843 0.6611681441754137 1.624256663059079 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_2 2.325231743004843 40.29938260120186 0.8573061025240293 1.640187277703446 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.343554742071992 104.1716101017098 0.6778151601748 6.192106655801211 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.327898433618623 89.90222528675324 1.3636006709826 2.279521894210545 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.332332338036716 106.5965256864768 1.285475514811093 2.914476040420232 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.334084195128517 366.5760523781031 2.76453360292202 4.464586968301287 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.334155141613342 116.2030211635681 1.818086318326901 2.137713257411101 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.334282626278473 151.5303207487839 2.481035888392192 2.127189559425184 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_3 2.344128484085145 442.1077110033781 2.853288816397755 6.271598014165114 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.334169580737741 505.9726796850634 2.761395564051623 6.195766749268531 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.328375498961988 173.6368392706418 2.726665063392129 2.242917300251716 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.332442873758581 114.9710955273831 1.621017397634886 2.474753545372749 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.332091327551165 192.1832379168215 2.431457357123533 2.68593871525219 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.33390660965786 442.3924298171526 2.277132948030165 5.977876460828561 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_3 2.328759521047361 197.3780671537655 2.9047902855991 2.336156798318944 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_3 2.328661290654209 299.1078600821699 4.472259112183759 2.340914347624789 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.332001933336669 80.6325622839572 1.124803699291997 2.436020704062314 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.335337029723995 48.60681071034827 1.007052516501792 1.684131382011728 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.342436912079266 412.8692215100521 3.14329936333995 4.592328438191909 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.336963452269043 153.6906604821155 2.071120883185657 2.455032811088494 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.336903349016319 124.8173404510377 2.117583079538709 2.039806952579328 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_4 2.356067108239777 72.01940601094357 1.134480271593584 2.690198781171371 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.343114394603695 286.4955136401498 2.614143334987586 3.906603246934312 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.332574378094344 125.8586667950857 2.02330828220277 2.16390501076364 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.335239477053321 147.4648461674473 2.023362354727194 2.432086343651326 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.334906405140913 198.4935445750922 2.774315803592818 2.436836504982471 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.342288369554828 374.0220651464644 2.472193940581348 4.655242641378546 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_4 2.332735600793702 139.5195992306074 2.091228495673441 2.270228161054848 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_4 2.332805277115073 190.5224679898657 3.334580713807163 2.067336031241544 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_5 2.334798352495008 58.49884246202265 1.117891134094612 1.825907288565457 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.341014762119577 195.076912386024 1.498820611996859 4.782844929450841 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_5 2.347024471499132 86.40573031375796 1.266629463714924 2.335083975248624 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.342149220487926 121.1026267571551 1.873765749462471 2.213141619975608 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.343366902614207 394.6760359873197 3.29920398917033 4.668061540681587 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_5 2.347711375977458 135.0766316250208 2.181897689297088 2.189509647909474 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.335428604178224 137.583208079706 2.31189278379117 2.025712253004091 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.34203261893216 296.4076035568281 2.666706452806115 4.078503560792908 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.341722542847366 460.1131485799457 4.150853489273812 4.011955248237895 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.354308857107076 35.83856901734998 0.8110093404966516 1.584697804859966 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_5 2.33568091891206 161.5405182073084 2.429953972692552 2.237921326644484 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_5 2.335639169952657 269.4412643035562 4.173485905589342 2.201904264225197 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_6 2.340477188710113 133.2063243812982 1.333182425966922 3.781096874811821 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.346900781233219 112.7492379969527 1.298564051331811 3.135770747530044 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_6 2.354879306355385 72.17481346955451 1.238006487712538 2.778769265008237 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.344672686487852 126.0158539904369 2.030641725980911 2.118771181712256 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.348103199979392 109.0074238236464 1.750036558654436 2.029515440249176 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_6 2.354999944672488 92.07318032173963 1.377357854805202 2.330979889944549 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.340407663119157 148.2903091410246 2.275856781914448 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.346572154544196 96.22994720378264 1.384598013561739 2.430191451062761 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_6 2.346262523029105 146.4383610107097 2.077442969308012 2.517590111711876 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.340735654055988 153.6946892732639 2.211897775587717 2.4158192471884 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_6 2.340616879388562 253.7601612523497 3.749023113253414 2.422960848548844 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_7 2.345853321188024 86.68498595407488 1.077980503300445 2.617279798932864 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.354785503513964 38.99678248001722 0.6890114892305532 1.874397517146198 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_7 2.347995390945091 118.3283910156426 1.797053034815334 2.215492338916796 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.356604977118794 93.68749312205279 1.739797904580046 1.896008085001197 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_7 2.342974206826267 105.4655623291594 1.698802949063424 2.081730816904607 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.354933011739834 87.22999642377152 1.293052330618739 2.368193487366952 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_7 2.354528920463937 125.3464442586401 1.967240914388008 2.223235312516617 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.34321806764069 87.37754732161743 1.539400905116235 1.984031709929325 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_7 2.343157726605693 184.4037609817936 2.998028157809633 2.103347909118433 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_8 2.35430274120462 21.67656373184447 0.5082740268030788 1.475623389665457 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.356587323604524 71.33996581247015 1.432666158560491 1.785313497109636 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.34641291438407 161.2774644789597 2.180769079772832 2.513108601467925 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_8 2.346852657102406 172.0581255525585 2.207068542913256 2.670886427465066 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_8 2.346673175878986 200.0526527950205 3.156867869242786 2.208797410987808 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glu-4_9 2.354621391829959 132.7316510196008 1.73104895933466 2.519021037035275 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glu-4_9 2.355059920167326 50.46451714647196 1.046601096642459 1.705896985948606 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glu-4_9 2.354961159165343 127.4402361269634 2.26914731411671 1.9147675046617 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.545664472273824 947.4730459709851 17.83586791313861 1.819514902710432 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54548 1622.99594 34.476777 1.59743 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.54604 1642.0086 35.313754 1.602105 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.54531 1413.165805 31.403613 1.552597 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54601 2302.632689 49.079723 1.612031 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.54606 2101.378584 42.576379 1.686427 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.54643 1633.353586 38.129911 1.544231 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54624 1508.318388 35.09445 1.522511 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.54613 1403.395695 33.338453 1.50031 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54588 2217.733483 45.834495 1.659174 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.54565 2514.011736 51.037668 1.671131 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.54359 1039.223571 22.063638 1.644266 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Gly_1 3.5454 1130.588568 27.117742 1.48624 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Gly_1 3.5464 1174.349872 28.094329 1.494806 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Gly_1 3.54634 1360.1929 31.764607 1.535266 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-A_1 5.266851716281891 10234.41125911845 21.14329846750303 18.62409949379392 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.265952282557429 27040.81477581548 57.33508638630706 17.89067009033261 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-A_1 5.26677528782754 25084.67563793289 53.89603274820523 17.74656974539369 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-A_1 5.266793518202838 20786.93092605805 45.10887097249797 17.85387101346484 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.266395704042027 27075.16444363601 67.41521929296464 16.37150685647682 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-A_1 5.266545160083332 34893.09463894383 81.58923190278443 17.23086077494914 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-A_1 5.267149917296226 5656.234327314438 14.45050711045296 16.07500363534021 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.266759142527791 6240.547703120546 15.02915216617107 16.72971549110754 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-A_1 5.267132356378041 8054.344768638172 21.2366755360201 16.62393676507311 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.266848040563045 30385.47648928552 66.85825978729888 17.70448922651297 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.265580782827191 26239.272701742 63.54996435595607 16.63553649611191 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-A_1 5.263385113878054 11221.87553630144 29.48853521198513 16.73712183977486 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-A_1 5.266393306181812 3820.441846088025 9.167398616326263 16.92240181959215 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-A_1 5.266893937548684 3965.99225207956 10.81379764492899 16.08636784670854 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-A_1 5.267119158756209 4188.968465288309 10.30312985039182 16.90392775868165 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-B_1 5.552907688960913 9811.178349645676 21.28544860603193 18.01379668412404 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.552274725632713 25555.09887550456 60.14764545636088 17.07667890089202 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-B_1 5.553070225712691 22942.72959268022 54.21102461633924 16.80272675044009 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-B_1 5.55295905505783 19069.08022304697 46.07821009148409 16.67379566013784 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.552738582523662 26770.45616910957 68.02127203251561 16.03024773185932 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-B_1 5.552906522433866 33399.81074325838 83.00409769604147 16.46530925901253 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-B_1 5.553418539809853 6070.181150296421 14.24582221567914 16.36405760527224 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.552872764911243 6701.815152330726 14.83626989666056 17.40689178566968 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-B_1 5.553576168653537 9684.898851656804 22.13987584535251 16.99887534041172 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.553200883104408 29023.93125045753 68.32934287509934 17.11391308882697 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.551884247168463 25775.61480402814 63.00426331057125 16.48312016336425 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-B_1 5.549373124390119 11378.26494203467 30.89917601278536 15.72199268821477 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glyco 13C-B_1 5.552074012281922 3788.171927594388 9.00173443311716 16.30531277428101 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glyco 13C-B_1 5.553192907498801 4568.121729875547 11.05870184015426 16.2318443464781 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glyco 13C-B_1 5.553305454432049 4456.019485184677 10.5719529192928 16.47247111756754 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.397607093490708 1163.220220018436 11.10740447808493 3.48039922327769 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.397114361053492 1941.474453285126 21.92732117730268 2.97588832893989 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.397658913393477 2414.38066616701 26.85544835643485 3.038237085296022 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.397188010228358 3524.900715589525 27.62353851045158 4.215099689534751 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.397671564542605 2385.030606087523 24.01873526868427 3.261517006525037 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.397551832072616 3205.722557722879 27.65759478804443 3.693411583105057 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.398258914038085 420.4910444186307 4.336194893406759 3.295301889689604 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.398186441035635 852.4046843408702 6.662018786112399 4.18100525580464 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.397978863244035 608.572036452092 5.748455319671384 3.631076027126492 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.397683197592837 1944.162907098462 16.60993203007571 3.715179365726097 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.397137525868309 2312.482412783987 28.31100052366493 2.85006117546814 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.394912425463779 871.3074695856315 7.720606453887304 3.683478650900214 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_1 5.397211816889924 505.2056083839194 7.302348048712409 2.479116384547702 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_1 5.398297029009042 627.0342673984568 8.468264310124207 2.603984029383466 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_1 5.398122753359991 796.7697684319733 9.331921714442354 2.90536472817103 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_2 5.404966417253207 1819.664182454671 19.09888510721124 3.496455899676172 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.404512357595316 4838.107969489102 43.42478419617846 3.906163231087295 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.405094781574811 6819.167546726248 56.92368026503188 4.147881292420025 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_2 5.404081364431554 4304.162243204337 40.89471220272997 3.606985427560025 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.40473217388491 4909.935218847745 43.95417381756707 3.732102458608732 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.404940813897245 8056.970721928105 59.19471431596866 4.62525953305043 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_2 5.405653020862758 2035.098992784006 14.75807703984715 4.684464087995612 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.405351577198047 1632.643050562695 14.46194189409026 3.963598011723904 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.405132965185159 2641.560829422265 19.51068390619767 4.572666505090745 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.404625560797285 3812.863379790764 29.30860897137901 4.287700071333015 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.404575993689926 8135.67909312958 67.84696296198382 4.184025850486131 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.401765026413741 1922.960906600273 15.81875760009196 4.118285758891293 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_2 5.405042529938199 2647.90341183583 24.15757670512663 4.091137074590011 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_2 5.405807649070304 2597.694395132682 27.00043579684632 3.472938082521748 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_2 5.405567420966555 2464.054967855237 27.62368175851215 3.159073381656896 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_3 5.41194299438061 3931.507511106353 28.03311902260973 4.551372206530386 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.411678437434426 9638.42719942898 64.92354208700976 5.181555750006017 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.41214383655757 10070.47709592253 76.75270184617949 4.559241201873642 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_3 5.407350118304868 2962.60637296323 25.24452938986298 3.906145391168752 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.408095410872173 4752.282779513905 31.12783277382893 5.120983656947881 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.412086428493196 10664.46109700777 78.80059168649302 5.003316573967711 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_3 5.41282733832449 4426.544839572468 25.28855267116941 6.14593072480706 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.408456486160884 148.0624292313346 3.014086353667204 1.888792050379192 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.408700527688914 1855.172134246111 15.4058609856378 4.062677831734391 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.407879948329398 2509.193227978643 19.01369775671328 4.494524762100327 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.411581856934943 12252.25805897102 91.60661731881223 4.736999490288863 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.405587621186926 1918.788176839767 13.3082814462546 5.025627515194762 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_3 5.411630892000908 3551.192843628334 30.94462951826221 4.129052358405867 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_3 5.412463356955207 5294.85042439172 41.33050754790269 4.44390141113545 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_3 5.408799466609134 1179.930266800997 13.80754805807982 2.995523874877687 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_4 5.417605133432305 2505.311168777057 24.55129542571463 3.702850033109033 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.417417774690833 4119.772556428887 46.78046897481023 3.213021249928558 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_4 5.417965009361033 6307.081477256973 64.91648263486975 3.540301505862915 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_4 5.411726317365779 7122.299177402675 60.65598111554789 4.133319126611745 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.412402579345559 6877.515655337189 61.74647179026385 3.899451973863988 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_4 5.417955143060663 7427.622959762168 65.3711024107521 3.997902354123087 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_4 5.418700787030454 1306.062267094934 12.60829312535416 3.633818249484624 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.412427399680746 3639.208646981266 23.06485718895136 5.346775888739157 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_4 5.412457272056498 2117.457373090465 22.37968671948423 3.305229519501232 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.412503444332645 5408.499285049212 42.65386386657086 4.53282447586479 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.417293746121129 6356.408545961102 66.67789190847404 3.529836448689137 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_4 5.40965656283176 2638.961404938633 21.95769190270868 4.289912284385031 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_4 5.417348811764821 2391.243717027657 24.434733725826 3.583204471401367 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_4 5.418539920164258 3084.725420445209 29.57294526302325 3.680637168532606 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_4 5.412584861570581 3166.246402028984 34.64259173711299 3.17852571923346 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_5 5.424241329536738 1682.0734755846 15.65837863790173 3.712264402664437 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.423523770881679 3295.620777047314 31.53776257819802 3.638904681787669 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_5 5.424071782663042 4080.980981293749 38.89326403192982 3.651976711199804 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_5 5.417229503141157 7383.215689350976 66.24099201245836 4.011468608931104 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.417803702814909 5786.868324313315 62.19313656057717 3.304593282288511 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_5 5.424026322338235 4448.8688848993 38.84222278344293 3.959348911505582 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_5 5.424655424061782 946.7329163494636 8.264690257115978 3.974392475297738 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.418222748271919 1863.519659112741 15.47778893587446 4.215243477189631 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_5 5.41571797180139 802.2237609803918 11.17678726864512 2.72395939700512 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.417874739999995 5014.722125345531 42.68948733113913 4.147934968664209 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.423375954622336 3341.146097417 38.08040883351241 3.183722769105652 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_5 5.415041450954554 2362.550628431813 22.10707241904362 3.900664648166167 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_5 5.423878374244833 931.8475232436667 12.14140872111446 2.829614959328227 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_5 5.424976700345442 965.9372003481058 13.77963161419066 2.584418561402948 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_5 5.416234322023914 1354.914597624922 17.35976889153433 2.877527941261897 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_6 5.435356571082377 247.7083560383198 1.980746279455007 3.941165425956782 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_6 5.423541806422297 4808.069792935869 37.88923761157718 4.289731745235506 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_6 5.423847831187193 3967.934384947629 36.21772097027293 3.822736161476965 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_6 5.424602840493911 980.5885983065351 8.312368934081261 4.008752825266347 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Glycogen_6 5.418599700516265 2419.516877372791 20.53745067695119 3.97285522837638 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_6 5.424059793837598 3705.032854477953 26.82257643329405 4.550099157650873 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_6 5.42109192616147 1244.374032368865 11.8420496726461 3.740880222261993 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_6 5.418895881211478 1710.704109794911 22.88696103559757 2.669584731829452 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Glycogen_7 5.424456281573368 2257.407994899993 14.62403227257998 5.083738420269192 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Glycogen_7 5.42478982805866 1878.133351198512 18.93536167856498 3.50856008131111 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9966288632609784 111.402505183283 1.878570139371427 2.065689932339688 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9963196324400834 180.5496426530514 3.281126509499486 1.918310406565094 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9968264680508289 256.2732200967724 4.543614642446367 1.973119275324097 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9962014308236737 138.7755193169328 2.455374917234762 1.973119275324097 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9968041758925043 297.713710994222 5.31034603736837 1.972600704119003 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9967759178730495 226.2924659370065 4.021609108728812 1.973119275324097 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9972808908517514 256.7868061031224 4.228318537362421 2.107035888112444 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9970967567636757 214.9471357672337 3.670940475436046 2.050409507518605 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9969011538391536 266.631964340208 4.628053841331734 2.027928144083099 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9967299714069079 194.7120837913458 3.552793034140524 1.918310406565094 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9963320282199063 211.3099528716523 3.738964146028438 1.973119275324097 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9945362669784689 588.9905878502722 2.583964574257398 7.881665654472866 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_1 0.9963452197613728 118.6410681553471 2.182216518990271 1.897003667540203 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_1 0.9972974634445926 178.283333347634 3.001320209560474 2.062518863674963 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_1 0.9971409587437513 180.6719149538352 3.110187860487256 2.032180764451509 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.008389895206258 120.2181086531789 1.919159342165881 2.165496754822662 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008040520394201 189.2852546646688 3.415742398247059 1.918310406565094 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008581284625641 250.6465482565243 4.626953707465916 1.918310406565094 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.007930937772383 144.2267061372679 2.497816343323549 2.014726708184382 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008532700371395 285.4028877675552 5.313119299525873 1.918310406565094 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008491888487231 259.2293814109437 4.315558678160566 2.082737012842102 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.009016902364303 248.2069512378688 4.177635388056224 2.07683040242036 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008840341683712 214.1647842489171 3.7557037684859 1.989700419549606 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008604431914649 250.9663452902992 4.532703974826142 1.973119275324097 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008444015724637 196.8680978586011 3.648008346413854 1.918310406565094 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.008061363901662 211.4401651785763 3.918531831222501 1.918310406565094 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.0064240925824 66.74741194884956 1.226757401604415 1.891025451202439 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Ile_2 1.008017831044993 125.5936810137082 2.192376559013849 1.998865631541188 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Ile_2 1.009048474929149 158.1982555805496 2.948234745736982 1.913794306429777 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Ile_2 1.008854286465612 192.758727747351 3.298595816011231 2.038993816958294 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.090825997955949 43.56786690380626 0.7027018761173502 2.171646234584715 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.089754235570884 121.6903444636485 2.103797987044573 2.093916685137191 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.090116700175433 147.9156078472962 2.469512416884868 2.113586667583427 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.089939379167894 73.25951487661563 1.247012197639099 2.130676353036482 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090214010453391 209.012268314676 3.492253526537246 2.134081333092094 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.090251385488814 130.3186129902441 2.188688772023055 2.080367177561314 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.09080982504994 111.5935667225482 1.806022887045264 2.155990636388112 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090511812129117 99.1597752048783 1.606808097017187 2.159472148674823 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.090121218094801 143.2690102434136 2.025372932718383 2.458783695282664 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090344039294338 154.7785228940253 2.669667116104954 2.087443788635333 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.08946411299499 164.9136897882922 2.710431412709977 2.144080903338794 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.08834002971059 69.81093621594604 1.158073304806983 2.122308550838606 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_1 6.090232155744757 36.08716254671609 0.6814807321823048 1.941140228261398 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_1 6.090892078785582 22.07219504652232 0.4144340232629514 1.858322497837231 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_1 6.090705111209272 36.25738149336255 0.5826890828158535 2.180337855056091 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.100364881340949 42.03682280466246 0.7829872428115672 1.986497616807372 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099358680087955 142.0565334402434 2.183159961626269 2.27909084944144 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.099719862962215 150.0661318321066 2.569123374989446 2.140573479616977 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.099375501329283 66.14067513032508 1.189931591073334 2.027928144083099 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099827076734294 204.0883354685913 3.326092073786262 2.192897033288677 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.099796272787675 117.5486864119837 2.09906243658974 2.027928144083099 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.100496491971446 117.9039835467537 2.040535721971861 2.125061394144583 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.100240893614888 102.1543771381636 1.836938414081368 2.045823109340662 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.099825019273889 135.7201667740262 2.145275047860294 2.33245336891056 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099893639532662 160.6612380758864 2.712118483577582 2.0991015716737 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.099087719883771 187.1498851952206 2.823811989593651 2.312516012435871 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.098079927711165 51.68153275872336 1.018665860924103 1.818989648303188 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Inosine-1'_2 6.09985600970517 43.68561857355893 0.8221181579099326 1.955836735230215 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Inosine-1'_2 6.100816951167512 31.52590152420951 0.543310052604032 2.217567176061067 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Inosine-1'_2 6.100435950114081 48.00937425091227 0.7862904976706836 2.176698493211493 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.20394 46.478271 0.679828 2.377137 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.2024 579.396586 3.489324 6.658201 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.20275 478.236614 3.279765 6.177626 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.20071 478.785679 2.238689 7.619819 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.20203 497.647843 3.283829 6.816525 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.20279 653.339561 3.925979 6.985987 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_1 4.20167 163.002802 1.268193 3.954918 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.20164 33.82063 0.671999 1.778154 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.20235 284.416044 2.39058 4.248415 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.20125 274.508879 1.959625 6.676872 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.20158 808.00444 4.647144 6.29599 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.20366 53.328177 0.981035 1.896719 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_1 4.20464 69.647348 1.388614 1.769841 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_1 4.20452 81.026728 1.612938 1.766705 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.20974 88.70112 1.795569 1.771143 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.2096 278.113702 5.599648 1.732976 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.21014 270.671461 5.401089 1.771508 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.20944 109.439451 2.00372 1.881347 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.21012 278.686334 5.248729 1.862661 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.21012 384.71359 7.083271 1.859635 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_2 4.21051 62.896669 1.645634 1.406323 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.21034 86.309315 2.207885 1.428145 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.21011 171.961596 3.036948 1.933919 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.20362 371.665927 1.149698 12.250778 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.20962 358.157545 5.667604 2.146561 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.20953 128.421931 3.156817 1.499828 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_2 4.21054 166.760206 4.036951 1.533821 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_2 4.21043 196.671103 4.882278 1.52533 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.21545 181.766862 2.945349 2.191325 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.21539 598.286418 8.791238 2.247164 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.21595 564.218243 8.407325 2.273494 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.21521 244.491955 3.334503 2.445751 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.2159 575.778804 8.137233 2.346398 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.21586 675.415991 10.993668 2.150194 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_3 4.21628 185.467889 3.224986 2.006504 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.21616 265.878871 4.356683 2.125747 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.21601 273.213179 4.351135 2.175703 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.21001 215.061006 3.926144 1.875248 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.21549 524.949849 7.827783 2.319381 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.21526 253.520861 5.041966 1.843761 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_3 4.21628 373.376575 6.787202 1.95681 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_3 4.21617 438.320158 7.846924 1.978536 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.22101 159.837543 2.823415 2.012005 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.22101 532.179342 8.691582 2.046762 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.22158 484.474955 8.384117 2.005501 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.22061 238.263614 3.22541 2.485265 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.2215 482.63517 7.799234 2.089668 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.22151 731.579892 11.595869 2.155453 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_4 4.22186 147.960693 2.692113 1.911516 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.2217 197.552116 3.876671 1.80311 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.22154 276.360624 4.294295 2.152858 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.2158 448.644592 6.269858 2.41159 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.22104 524.581216 7.611834 2.338698 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.22091 229.06356 4.795688 1.709386 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_4 4.22196 376.209471 6.984528 1.846575 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_4 4.22188 404.672296 7.79781 1.806831 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.2271 113.974922 2.126374 1.891701 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.22698 455.07185 7.837679 2.02105 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.22756 467.177403 7.752002 2.102804 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.2268 127.525018 2.309219 1.954529 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.2275 398.11507 6.754342 2.065495 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.22746 648.387354 10.5675 2.141971 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_5 4.22794 104.486303 2.248601 1.701912 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.22776 152.012393 3.220662 1.727047 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.22766 266.83262 4.038236 2.245404 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.22134 379.609991 6.009275 2.173972 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.22714 415.704313 6.67518 2.157144 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.22686 222.342748 4.348695 1.833634 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_5 4.2279 355.621518 6.414759 1.958442 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_5 4.2278 431.753597 7.646502 1.970172 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.23262 70.37789 1.439848 1.777369 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.23261 356.984881 5.834755 2.027928 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.23316 379.915674 5.807352 2.137546 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.23232 87.082457 1.640507 1.852182 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.23307 408.976558 5.568355 2.432377 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.23304 476.005323 7.690505 2.098104 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_6 4.23353 93.891389 1.839216 1.798089 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.2334 107.328777 2.262298 1.654866 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.2331 220.274786 3.076902 2.366093 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.22742 368.380613 5.571809 2.247164 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.23274 389.003216 5.173662 2.369562 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.23249 143.33438 3.047844 1.67622 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_6 4.23349 240.812791 4.679324 1.795674 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_6 4.23338 300.09164 5.711391 1.83772 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_7 4.2389 204.119015 2.541157 2.585469 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.23964 315.579412 3.225327 3.204786 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_7 4.23595 61.706687 0.721735 2.630766 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.23956 354.330291 3.226974 3.49377 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.23946 604.289292 4.956083 3.76371 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_7 4.24041 276.11927 2.328837 4.041667 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.24014 283.819036 2.123951 4.418212 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.23967 260.257836 2.121739 3.786342 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.23293 218.180874 3.729287 2.000999 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.23924 379.822381 3.265309 3.609023 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.23874 372.324606 2.685821 4.330293 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_7 4.23962 160.846478 2.15366 2.390763 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_7 4.23962 290.134544 3.369488 2.800478 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_8 4.24435 946.285414 2.688519 12.079915 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.245 86.369251 1.304914 2.189371 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_8 4.24015 84.398 1.166557 3.107193 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_8 4.24507 818.392615 2.872078 9.94252 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.24484 154.952512 1.833375 2.600609 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_8 4.24298 776.484315 2.106485 12.526262 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_8 4.23936 277.966299 2.462341 3.792718 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_8 4.24526 1256.358221 3.309298 13.323712 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.24188 1180.428536 3.270428 11.782489 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2 13C-B_8 4.24508 60.511053 1.194683 1.719118 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2 13C-B_9 4.24427 343.633011 1.070957 14.922289 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2 13C-B_9 4.24433 464.057673 1.564435 10.067512 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08549 146.673464 2.848946 1.803636 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.0854 82.329823 2.054071 1.352951 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.08572 209.848267 3.811818 1.868062 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.08527 196.731511 4.130393 1.633243 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08568 524.121982 6.274907 2.808514 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.0867 1112.063664 8.05391 4.657415 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.08639 250.241576 4.04236 2.054175 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08624 291.868416 5.309417 1.870049 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.08606 422.39069 5.63405 2.401421 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08552 251.31408 3.984888 2.167715 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08544 265.147528 5.217105 1.757866 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.08288 153.436057 1.668644 2.969726 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_1 4.08541 289.006847 5.366944 1.837304 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_1 4.08642 244.533758 4.580158 1.801957 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_1 4.08633 293.833807 5.338971 1.870214 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.09716 491.701355 9.565072 1.793677 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09711 535.658755 11.369941 1.610361 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.09768 742.971823 13.781102 1.78545 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.09693 619.931168 12.81012 1.634333 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09764 616.570654 11.304025 1.787408 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.09768 1268.923001 16.057844 2.431508 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.09806 466.492516 9.769169 1.655065 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09788 654.033638 13.810369 1.630218 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.09773 581.714634 11.976859 1.662909 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09751 444.213782 10.095966 1.525389 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09723 1170.77509 19.212804 1.939961 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.09494 56.38 1.784267 1.167113 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_2 4.097 653.81368 14.720807 1.569061 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_2 4.09803 677.778148 13.052665 1.728575 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_2 4.09794 779.691857 14.943283 1.773063 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.10878 499.105157 9.652635 1.808693 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10873 616.094563 11.891959 1.724039 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.1093 728.898195 13.960984 1.748758 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.10853 689.380217 13.795274 1.688644 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10927 638.961079 12.021087 1.793423 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.10928 779.280542 14.207647 1.825466 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.10974 681.597828 12.097385 1.885411 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10955 913.414383 16.393987 1.877232 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.10942 865.17813 14.346618 1.973119 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10912 582.051037 11.219449 1.737392 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10882 940.764951 17.80576 1.75181 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.1066 544.474683 5.914139 3.025247 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_3 4.10861 747.730259 15.851658 1.651691 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_3 4.10972 806.986128 14.277809 1.859636 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_3 4.10959 845.925163 16.159157 1.778937 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.12037 186.215621 3.496319 1.87718 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12029 227.085094 4.266494 1.808693 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.12085 271.536008 4.958386 1.860948 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.12009 258.070545 4.74473 1.845804 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12083 256.044323 4.440301 1.959521 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.12086 281.650258 5.127331 1.866664 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.1211 242.228866 4.367306 1.935278 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12096 351.222114 6.187622 1.963566 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.12086 357.004634 5.50393 2.148129 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12068 205.172312 3.871239 1.816161 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12037 330.440449 5.942483 1.870775 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.11828 172.211443 2.233764 2.619823 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-2_4 4.12014 347.677498 5.916789 1.985556 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-2_4 4.12118 392.318681 5.411185 2.271026 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-2_4 4.12109 316.917935 5.83704 1.883159 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.312922760461881 3353.27221529662 62.80847146071007 1.862865705182596 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.312735843431635 4327.545116987454 81.82182789010605 1.781379749529474 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313275052296611 4854.806086572295 91.6551781173491 1.799957009274737 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.312553231665627 4703.446774679108 88.56142393807933 1.758859023416838 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313255407804287 4532.047062479898 80.86561206978014 1.836612796335739 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313244379048495 5513.288553973188 92.82286247059996 1.963667930378786 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.313684842150016 3713.71235460798 72.25492598107718 1.793377692660759 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313493024974025 5187.592662940786 98.97545899365805 1.798647113243856 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313329258483412 4528.01273340066 84.64982189623896 1.858296275867473 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313143891631974 4039.429635223547 76.75161850896718 1.788956223327109 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.312830684404954 6846.685088165607 117.7327074532158 1.893524286110269 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.303716055957565 177607.0207442016 518.3787906896232 11.83813216593699 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_1 1.31265541081433 5146.799808123047 101.6095941605257 1.740097309268365 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_1 1.313666906540284 3909.496863475505 84.56314485299579 1.63908702280122 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_1 1.313520806565489 5703.708389242282 100.4829553004647 1.852451877525041 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.324482541255258 3367.583240886768 62.08906795881006 1.872910257109695 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.324278742699636 4151.576922395119 81.01548455919072 1.741375001650822 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.324824763612708 4889.610051280961 90.47346444896166 1.801682254104402 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.324113795645057 4793.565908444269 88.34450587641476 1.794768302191142 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.32475600104751 4685.640439247586 82.43065763998804 1.88251992943654 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.324756830813073 5118.687509121532 91.73460209583472 1.847927054037485 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.325226740669948 4121.033010055704 74.72429612784374 1.846913946755307 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.32508032068754 5207.00652039661 97.75035708821972 1.778782570103673 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.324847505777412 5701.401589420745 89.59969164220647 2.009313035849445 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.324695692191748 4105.780702605633 76.52181862520828 1.801123337042618 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.324366133340127 6241.267630868505 114.4084317964353 1.837816031850213 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.309618243288285 86253.64148259326 302.0736860611392 10.34758807027548 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_2 1.324202744380234 5221.520652823957 102.7469918766631 1.726931592680968 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac-3_2 1.325215281860808 4622.758023138304 90.96272472814084 1.760516413360879 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac-3_2 1.325091222253684 5741.335360201543 101.0433393046163 1.881761648346252 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac-3_3 1.320743779144249 81161.62549326938 185.4540631884558 14.85473490283785 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.196394115227989 381.3586618583099 6.844012627039167 1.944257461420213 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.196240118442196 1030.285908607324 20.0861093123492 1.773089177171065 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.196760948353497 946.2885718294996 18.76084997205411 1.769690983554136 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.196015458721624 430.3651085584577 7.644721384621635 1.944152415954026 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.196669565878296 977.4908350468256 18.58157492387426 1.843418395554135 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.196717143966967 1251.975534465854 24.47624493893278 1.784768995734878 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.197096855348264 567.2993186401926 9.776254476294536 2.008969424618594 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.196913134529442 627.0695528980666 12.25282402532343 1.831985053177954 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.196752654754286 634.3444056161122 11.61689683842328 1.905311298388635 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.196510408937869 751.5464508870305 14.88776564416988 1.809892991559744 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.196249125440834 856.5184696319183 16.65682124361971 1.808692669047089 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.18993500080276 104.3511182523227 1.268716961620471 2.576050507772307 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_1 1.196143536315374 701.3716384145333 13.4662912332294 1.824210977436136 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_1 1.197186512046847 895.1084436233132 17.32187279550445 1.796876726321251 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_1 1.197068324978842 1174.414474143545 20.27706178229666 1.952404775327087 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.203602305148881 764.4385573076578 13.46431747323375 2.008418244397845 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.203407815202141 2234.799641425063 40.23809137380516 1.937903655351923 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.203963937096913 2180.475338654835 38.16841178542757 1.988099201118041 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.203300186274176 921.2194976937495 15.08137005180212 2.10353077325954 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.203909117036349 1837.339227143794 34.01079712595806 1.922314880427565 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.203888781419175 2943.050868418746 51.82309970414131 1.981551408979328 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.200967847019034 73.94600323806036 1.77610389312968 1.481185355549429 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.200688856343215 124.4924541175463 2.70943589038948 1.639476052169016 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.204041505186828 1578.806432775451 24.04951465920586 2.208749852377152 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.203851063763377 1449.482901767949 26.34576101129945 1.941906451570203 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.203518870137246 1927.475781424532 32.64893522567073 2.04679028940778 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.194467040729263 457.3644134322292 6.709859560091113 2.239779490581619 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_2 1.20334569379518 1532.860560696343 27.3496221194612 1.966528863960626 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_2 1.204327481006847 1904.552123773329 35.43601502151434 1.913406706497295 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_2 1.204212004068339 2328.162057488481 41.46979848984173 1.971108205211755 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.207988082670902 398.1828646331637 6.881478952160654 1.99755313220736 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.207733918969135 858.4384801305114 19.5644415178077 1.584835707057334 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.20832458510063 845.9985500035057 18.4295400061647 1.663353477931848 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.207608282918586 384.1646135042177 7.444256685976929 1.800640358820608 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.208209493893642 804.4488443284907 16.55132150101554 1.707341691942251 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.208276354570701 1201.714796819569 24.7192272370963 1.728211868712662 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.204418560074517 1148.096520287845 19.60237563834525 2.063185941221281 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.204229788483293 1277.276116796505 23.84638214826372 1.933912161752276 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.208335098697442 619.6852021426861 11.85473984969904 1.838575205901728 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.208161810769384 598.2743063676257 13.08138661030942 1.655951156463599 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.207877281622582 731.8346684393334 15.82860871143693 1.664480236074082 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.201582398638829 904.6455247791348 13.07633203682081 2.308557802934343 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_3 1.207667372470257 711.4359150036345 13.88853781345947 1.793555207806038 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_3 1.208676405066002 963.4860000159402 18.60898880886351 1.811448655285689 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_3 1.20858956046632 1159.484567147812 21.71728144513651 1.868875114902374 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.210755261975715 356.8151110972184 6.300141730148858 1.979452522845013 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.210490049028158 1178.737983826779 20.81261541523781 1.973926504168982 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.211062980635122 1066.284142184151 19.14711675786241 1.943124046275392 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.210444431857442 396.8124396982377 7.178872776310429 1.950763457827835 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.21095965812743 1025.989812271514 17.17138700272501 2.04562013748537 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.211021917794211 1564.361376479059 25.57910742022422 2.068385882765786 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.208656546177443 596.0825240831037 10.43712208685658 1.96400982589636 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.208416446979484 690.5386491820235 12.7210743497555 1.88409037807878 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.21116276070524 590.0474862030508 10.9033222881549 1.920129418867808 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.210931990748482 709.5875352392864 12.97915386989348 1.920503899077972 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.21063029954104 889.9898516890024 16.03128020570819 1.944588831860295 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.205942595533323 432.9444346143726 7.116759285731926 2.086224823532585 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_4 1.210498011509995 761.9083370674683 13.53459008056237 1.964212996523964 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_4 1.211473526860857 963.2650261905122 17.55618095103605 1.925720140409306 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_4 1.211366008029579 1092.896821021957 20.08239685512338 1.897059762107122 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.215184462682421 760.8636801925559 13.31872494855463 2.01624789589602 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.214998839574662 2158.561763914554 39.95304105417377 1.877652620451569 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215573513296764 2096.966631510466 37.55770712347511 1.951789537489012 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.214873029637008 887.3397305925646 14.95873768684401 2.069788369896103 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.215494355769701 1916.116658727304 34.4927701786083 1.943161640522548 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215471258477007 2810.157516490652 50.590904075342 1.939390740703172 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.211598018948198 584.8758410010109 9.673483252696823 2.09849113332714 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.211356451521548 718.4944011942523 12.09975794428665 2.100228771594457 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215671086395016 1657.242148693985 24.66827188595233 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.215425764800732 1500.561301880257 26.57222536946306 1.970410787079977 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.215099999512963 1871.518672621909 32.68168441716564 1.97772493502268 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.208752881513671 424.7286188735807 6.823044018333308 2.153860682195484 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_5 1.214933514713653 1413.599480187629 27.13795316309638 1.86828776088463 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_5 1.215945626148995 1962.82496054766 35.30949816577834 1.947213755642005 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_5 1.215788342506156 2383.836191327895 41.68197931281908 1.99553356310238 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.222170483686585 314.4044012066606 6.28304106059611 1.808802622211133 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.221987718736183 938.426649496973 19.325592377857 1.717726564756708 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222512039393697 843.9369777863279 18.00010059533243 1.702036015121978 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.221849177522139 353.0016427187813 6.67630659011333 1.815368762320222 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.22248525992277 851.4619713885817 16.64725824100849 1.790928786996203 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222458902798495 1133.999048170806 24.17875189892722 1.728192083070551 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.216002346842063 1136.004975286157 19.57850992400053 2.048793123332754 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.215832945939815 1335.050970024841 23.82699536920234 1.991559562245663 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222572241015817 575.070654124261 10.78810351878645 1.863501537806091 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.222399619382164 643.9409333322799 12.58489725813426 1.785366245981901 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.222058323139044 719.3604036517385 15.1465694977839 1.734768684669698 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.213168224708692 1046.783452202436 14.02360769396654 2.465334930920028 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_6 1.218854346042953 73.56219402751863 2.114484669820182 1.349920153529635 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_6 1.222932405062755 905.9262221343142 17.47293336584518 1.809080828372796 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_6 1.222754476776366 983.3978471478855 20.2835826976612 1.776294469975031 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_7 1.220029789929465 118.3194712606753 2.337380372693575 1.774438418330131 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_7 1.219675509559317 115.9572502846041 2.598175025125225 1.582077264357954 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-A_7 1.22045932556872 2425.903651992184 15.62678973079133 5.480075612450561 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-A_7 1.221925163817857 627.6744718604629 12.77558887829692 1.751586980177226 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_8 1.222987718736183 436.3746446281856 8.578070922103997 1.794249893161881 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-A_8 1.222783510445406 517.7547370356895 10.56026547582166 1.750529491261656 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.40957659246866 334.6055459504346 6.348802070671958 1.865929911028621 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.409408997825232 897.7910090820934 18.83922978587317 1.695597556405289 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.409956262997418 847.2087629651618 17.70449082827168 1.71688531829626 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.409230410423021 306.3871778726781 6.222718897103101 1.725087655153185 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.409864880522217 748.5596317288031 15.82595568326044 1.695832879845528 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.409863055291353 1221.663127489315 23.8094261314561 1.811329075687458 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.41034332168209 463.0177005927465 8.641956493549804 1.869461302132949 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.41013902794782 524.8954841497757 10.62649580104341 1.764713614050166 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.409972238285521 516.2106913609495 9.948137547770713 1.810573564363471 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.409803834982789 545.9627260775484 11.87865154646395 1.674877422964735 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.409465413337092 773.0296451863175 15.06553609567164 1.785646492013972 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.40752825447385 358.697179555246 5.604203771662853 2.113924586728521 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_1 1.409321792898222 598.9556476043126 12.5366998621083 1.731130335389967 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_1 1.410321792898222 818.5974699480952 16.81604015026572 1.745312729516576 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_1 1.410212507893278 975.7373645625919 19.70994170862591 1.8005187088376 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.416693568456653 789.2951245505755 13.47894720220388 2.066110570250369 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.416537944955118 2209.118353130659 39.19665991635115 1.960895653162084 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.417082077655436 2078.076111903317 37.08568896719439 1.966652779525021 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.416406299014368 893.1460911106028 14.47066313474437 2.117465681752889 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.417015901003432 1874.914883290848 33.5467939767277 1.962400848154501 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.416992713587895 2921.021611462845 51.43519462513491 1.981551408979328 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.417477318531142 1232.526149674109 19.69459907226954 2.194867221887481 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.413810606718219 152.3098060634594 2.969937093634768 1.789417069979902 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.417175478538297 1570.076703285614 23.76631706716058 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.416963919453519 1504.324757231835 25.78900036045647 2.025105305732463 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.416626833972836 1920.140780964132 32.4751103253153 2.059085928287149 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.414669340968656 737.5739785943883 11.52919278899249 2.17317178570271 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_2 1.4164496259639 1467.770988507324 26.73182772134668 1.945231091115535 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_2 1.4174496259639 1893.177248426489 34.72682481933803 1.924899640640519 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_2 1.417316720955388 2395.700236782171 41.94592722416019 1.999968453533919 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.421064716990752 383.6143226909156 6.788480374839496 1.970259484028729 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.420873840037205 878.2816880865952 19.27371918982062 1.633784962887804 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421442186177303 851.8990544157051 18.13985617471431 1.663353477931848 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.420720384546857 346.962691966444 6.998339844000131 1.760099821477917 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.421357466603635 884.0808561064226 16.80653144464381 1.824107819168331 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421412697035267 1305.616393164432 25.51708258618374 1.809597436708198 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.421770865078773 491.1429685221348 9.787671275234086 1.800338514416676 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.417361581566403 1264.53062251941 23.26931233615608 1.967540311359952 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.42147715436499 596.9536663000272 11.75851593768876 1.80647677796808 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.421303481938947 670.5705932582736 13.02446754143032 1.794700478070145 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.420976249535458 712.560773652061 15.42332236764306 1.656768234419923 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.41907078855823 334.5340636174195 5.902493625331064 1.944489012319265 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_3 1.420784389561391 720.0194471347874 13.84645500851458 1.833986724924888 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_3 1.421793475304224 920.4062457041246 17.74030005099856 1.810295856778041 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_3 1.421708848722553 1050.945220801647 20.99401729269783 1.792918627906362 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.423842901724262 390.898482680189 6.68956016125462 2.043634430091528 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.42361423462768 1091.967468955992 19.92230973743872 1.912497930591461 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.42417043210505 1099.054130727163 18.78090654525683 1.988610744707143 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.423489668250076 369.7124838789106 6.740353324369248 1.897131352851667 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424088670699796 880.1870820010271 16.28118967677619 1.886339312926195 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.424143527240794 1460.754599298701 25.22522747502435 1.973986534042159 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.424685946110224 607.6707393346179 10.06642283962566 2.105837425182625 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.421561837347944 700.6726726546972 12.94094793430769 1.889209197118018 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.424277169535689 555.7261737787821 10.83255844960102 1.864926006628294 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424068396298821 644.2928520503327 12.06981847845235 1.862573998606266 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.423715711330259 989.8086087673283 16.38128042423932 2.053291608336683 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.421853636553566 297.5106495920184 5.344109519036857 1.942487030811964 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_4 1.423582049624087 698.7313040792853 13.06914522659258 1.87719501299908 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_4 1.424577459029577 986.5584546004932 17.64843973739548 1.948319520837119 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_4 1.424472437934816 1214.887386792827 21.02723376073379 1.996411626409921 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.428329347740029 812.7398264414046 13.6071932607334 2.081067562598049 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.428112678597939 2204.271632333955 40.13860692820812 1.916168857060734 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428689670413622 2129.887680534764 37.3795495969966 1.974695209300797 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.428004352310513 950.1196739513235 14.71568714786811 2.167379696992106 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.428598287938421 1997.615586560543 34.40480405182144 2.025926991791669 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428605837685677 2904.448364815095 51.14336242384199 1.981551408979328 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.429139044325746 1109.743509833041 19.27610030232645 2.033866357471179 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.424494607381631 682.0523668835034 12.10881091788417 2.021873045289873 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428781052888823 1656.32157405795 24.76377428414978 2.244947728040101 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.428597641612367 1575.006992695648 26.15909200541957 2.070420172954681 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.428237965264828 1888.006515094825 32.30883643213316 2.01304002189762 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.426319815197312 714.3082662289644 11.44033041683881 2.10970757537132 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_5 1.42806330503588 1558.369138723491 27.39240401715636 1.981073817026618 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_5 1.429055200314426 1950.518288523372 34.95269389741838 1.954710997139382 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_5 1.428958929146811 2393.099317843125 41.80229727418787 2.012387219777745 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.435276449709747 344.7809639747031 6.508826457482186 1.905784619195612 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.435085422198315 916.2911658527378 19.14631826149273 1.699074931529083 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.435626700460613 877.4501367318364 18.14228736941577 1.734031562004142 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.434934630470229 345.5916472766686 6.493004582643156 1.808692669047089 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.435594187871736 853.8318855958452 16.52073413222447 1.803324937211985 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.435548675604032 1209.43809062066 24.80322695415999 1.77430068306628 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.436048795933784 414.3522604431304 8.435246457154154 1.745645206465692 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.428942040119348 1332.750235896252 23.67509203940187 2.008981671729633 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.435663428043924 605.6200282033763 10.56527507890775 1.944999802317922 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.435509680230975 616.3298121380425 12.31583797060136 1.753883800288086 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.435155172250413 726.7506637674309 15.20784343154412 1.746255911620868 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.433264374044251 349.7188185773296 5.495946913773352 2.07061227429335 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_6 1.434992315825454 610.5310454429779 12.66621986227984 1.745740487360759 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Lac13C-B_6 1.436034156796032 877.146540531057 17.22009085774352 1.790204476429033 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_6 1.435869193080979 977.6151022570541 20.28406706394629 1.741735144891979 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Lac13C-B_7 1.43274937063547 137.2786907740023 2.815574077818023 1.701246058178416 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Lac13C-B_8 1.435877864570506 513.8869012271741 10.5555973306536 1.733534087290641 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092024940672663 141.693232885655 1.843342326996277 3.155373324922783 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.091534606927844 243.651611900695 3.315494971412969 3.015362322684723 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092957436302184 262.9670565576268 3.813891210403887 2.903495485157304 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.091567981539177 260.8682516250392 2.979553753699063 3.407006620472097 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.092592420554452 276.6437463440189 3.866405066969012 2.932323279432178 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092567677285361 297.3019611687744 4.016215328390802 3.063975954214823 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.09279831142766 308.5942625631554 3.937809330473406 3.148718458272049 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.092672792646472 235.7571434657373 3.101550021676565 3.062572655354397 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092921782931684 277.5081612049075 3.495318323755087 3.142599380210937 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.09209732594716 242.1837871663306 3.422298756271449 2.962582345708598 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.091505050547376 319.8675008065965 4.307194980644769 3.045261570470184 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.09514424133119 213.6094638131405 2.689605514186064 3.198632436238891 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His A_1 7.091543824802613 187.3534793922042 2.502078485065684 3.020495990634815 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His A_1 7.091844746017589 228.5394328720288 3.207060388859195 2.936364749332155 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His A_1 7.092409092623031 240.3392470686592 3.237653336694342 3.009560482337136 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.903981639189195 109.0213480552114 1.82802712218947 2.842618969559101 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.903468695697302 183.9986389692384 3.220973518168335 2.722809100254777 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.905807491701537 146.7825373707359 2.84835467431317 1.843810793784203 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.90375968555095 228.8109373248664 3.06502722284126 3.042896548599944 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.905670023722213 201.9292964910064 3.665582511794303 2.377270158830482 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.905610353619902 253.2920642136778 3.99371006821527 2.793410991363628 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.904333475899595 145.112534092953 2.935239399200904 1.773252097024973 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.90417640408032 107.7723742242548 2.192155569444824 1.76103503236345 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.905056446488824 143.3986206251272 2.61919732484488 1.962923385820275 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.904377659292749 192.6978702033326 3.298163980279972 2.725529676319892 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.903562575251677 262.7410943589317 4.36442797752068 2.707609721128806 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.914944795060065 172.3749183971003 2.649710289984383 2.884549105499194 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_1 7.902584151480446 121.126693167906 1.946374820239975 2.280574942032283 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_1 7.901513056002688 105.5102182828212 2.216614049280471 1.720341957065369 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_1 7.903376761263435 117.5353971977375 2.347097324076353 1.812121584402353 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_2 7.90781439474642 113.793843885352 2.549518333471652 1.64423792991239 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Me-His B_2 7.906353097041814 121.4199560875527 2.638475071884951 1.686736894354574 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_2 7.906205372901082 107.3225892363278 2.221007908808003 1.743707571633021 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_2 7.907091932295367 124.0493562975106 2.36384704361756 1.871285230674123 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_2 7.904516729734676 50.94560531180544 1.169311101875766 1.553236707238465 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Me-His B_2 7.90354085130669 106.4747450631937 2.247884882087422 1.698240274701962 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Me-His B_2 7.905443571728386 98.8549602999853 2.132750413425704 1.673445536586349 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.016590542121689 105.9500995989332 1.700325243313201 2.253900901984831 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.015999000837827 230.3918670544338 4.006464337546021 2.121657122805225 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.01635334125401 247.3489970056795 4.228062525812858 2.141625842080648 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.015975194363143 185.7077353211166 3.037006755293655 2.192354750360107 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.01627629432829 232.2167750173577 4.006064703347317 2.137111575569935 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.016312099454428 221.0704898620453 3.6393146682621 2.186881360167434 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.0167683503519 141.4817102900816 2.182330572926609 2.308501262298053 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016547160332417 142.2747410814832 2.347817257868257 2.182218314047608 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.016383799852687 127.8311454092309 1.905941077921637 2.357505775960435 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016455540736647 154.449227582047 2.747237556948922 2.08956366359095 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.015712781535138 281.206921638547 4.558057754676939 2.205702558843584 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.014676594373726 96.16929228678319 1.62562362691942 2.137545881601105 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_1 6.016001725025855 97.106294318711 1.578602682085702 2.198718058298705 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_1 6.016769213914189 71.6081814177102 1.229356397611405 2.078433274734089 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_1 6.016668624384775 96.71538823745998 1.595884496883126 2.162041452757181 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.026573997601129 67.62086062199376 1.27791819521117 2.088349204778412 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.025952447714454 183.1267302203242 3.288213454517767 2.019090807764886 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026295734825096 180.9671005019948 3.435025962424794 1.960763483801082 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.025957415792698 135.6979280412153 2.34483082502136 2.05027890956277 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026284125727488 183.1023778744274 3.470509951562434 1.990706035626762 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026251218673912 161.5259068411683 2.925579592915349 2.064094291052652 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.026753316362198 79.98601764273663 1.516359495637346 2.025847355257433 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026504822961824 99.50031082744488 1.777286270013863 2.047122250089191 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026269924280325 98.93894884494026 1.607458159623778 2.206900041623264 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026408333586642 124.0542695533648 2.22915119870519 2.051746758058352 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.025678947160869 217.044788906558 3.959317857557403 2.027928144083099 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.024727845451698 68.74423187407108 1.394955830178776 1.889312551550005 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-A1'_2 6.025981111410509 69.33332849200015 1.319690072984986 1.936964525074394 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-A1'_2 6.026873267278551 62.00313076364907 1.039756248020703 2.11620846215417 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-A1'_2 6.026709212420622 77.02838012062924 1.375231732804263 2.089165992440442 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1' 13C-B_1 6.216771048272159 168.9986192518829 0.5871628635656102 11.33329108245987 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.064487174629374 64.55091683035197 0.9378274118926226 2.68057775025749 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.064401870081886 176.6236287957757 2.239430840897559 2.834468714687357 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.064850520302163 182.8235039609618 2.326876825494628 2.842880862360071 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.064159738349094 134.0639976984659 1.631751090100376 2.999097954162065 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.064905565289467 166.4954280657876 2.228878494764822 2.790772636658369 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.064852704776279 151.6299411682797 1.837583266285628 2.95403148813293 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.065005871932386 62.51034935571531 0.7273286188202622 3.30869843572872 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.064932746032385 80.42548645034863 1.040815503138681 2.829204934893847 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.064953670256807 73.7838038069871 0.8503034715001754 3.143270898346839 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.06480163495956 124.421750096676 1.532790144524488 2.93884805228369 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.064432014625057 232.1129256874432 2.81560425753598 2.955658857563669 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.063203857151625 55.5743547805596 0.7815552646002637 2.620230420046712 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_1 6.063979549736096 69.015079254845 0.6981174123295225 3.651552979580845 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_1 6.065087056847021 14.53409544567567 0.2728964490094135 1.858322497837231 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_1 6.065380032496138 52.35027895432315 0.4358892914114622 3.878781481406344 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.073716469116339 83.14336131002146 0.9264001866415167 3.199744957787923 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.073445585292383 160.1568613850949 2.12231079590045 2.805722938096191 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.073909725839239 167.6519441981329 2.184790331777845 2.858150047199289 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.07323120351271 122.878373530507 1.579188430963663 2.94874901794968 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.073928013229697 193.7319534058254 2.268606099333429 3.00501379927399 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.073866690484411 142.0196830261385 1.759539141086002 2.959678912986146 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.074412100685696 93.14011133370238 0.7588436908661749 4.386561825044279 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.073994844171708 102.2721208699419 1.097044195267883 3.273650740531664 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.074216745389079 75.57281706363507 0.8887661338612823 3.048629919892303 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.073900345370629 122.2450836712584 1.486504349987934 2.99797899803013 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.073543619798457 226.4271025830392 2.768204473319618 2.969615835720469 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.072219594185817 81.44727636198024 0.8792825377691387 3.153435089966553 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD+-N1'_2 6.077230008640239 63.04915781885293 0.691309209128446 2.945502940113314 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD+-N1'_2 6.078154411363779 32.35478620612015 0.4640606412470478 2.308414377978778 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD+-N1'_2 6.078138626165039 39.24702988913715 0.5724523971207777 2.381069939383278 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.325815457569918 213.5562922630435 1.891544961761776 4.745505626009211 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.325583810326755 511.4566140719712 4.361152541633695 4.874954081767726 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.325911842823 457.9786063615567 4.297839791056614 4.673927710943956 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.325462645604327 359.3677546325546 3.122397099508667 4.78797471925864 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326165497825912 541.9005419059821 4.657636210023407 4.857877495881052 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.325872928164578 438.0805609218154 3.858704681254916 4.817249140789706 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.326448263138065 259.3358458224762 2.188263428768159 4.983523511447604 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326209100588752 299.7064030119325 2.497522114237439 4.92793908491354 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.326315475426332 301.7611468599501 2.365006254250459 4.969954230642062 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326165453857264 353.4797632005745 3.101691686828423 4.835715088202177 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.325456229788076 630.3388625587522 5.590228084748103 4.8014343952181 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.324859830430622 234.0544816030606 1.945455027268431 4.945574077812838 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N2_1 9.325595994039235 265.576039328299 1.95204340316958 5.316995757532182 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N2_1 9.326559575252583 243.4141960311528 1.731212867718446 6.234697573173491 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N2_1 9.326267933214279 288.5755688069923 2.098235624225496 5.799220114783981 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.11929096508224 124.9511954978929 1.118759441890465 4.134922541424038 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.118759714282081 303.8119948603459 2.600486227855719 4.188677771644204 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.119112009383418 295.6141992718073 2.546604631350132 4.161887724095634 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.118675596722152 185.2010217374096 1.78392067470378 4.155543455436396 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.11910484973606 297.5337206423645 2.690941326671958 4.075289069925153 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.118956679313085 256.6091836494077 2.193055163005216 4.362396427316048 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.119597140894832 133.4220348920351 1.141364777167248 4.358364737746573 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119148925787494 157.6651236641179 1.42090196031863 4.049173602850689 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.119497210004317 128.2941279893847 1.195484499625746 4.201262524028671 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119311063586856 188.8690034507138 1.751849359261259 4.090616168325198 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.118558825574263 371.8207081484975 3.21566613975822 4.242451790595632 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.118545980199363 120.2936065324794 1.137282039982924 4.013277269455091 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_1 9.118397835497474 116.6173746843213 1.032392027487568 4.670926620581393 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_1 9.119268541340773 108.9269029730504 0.892855765519571 5.375527364344641 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_1 9.119296239704358 132.9533628114487 1.078580121454499 5.12503251382722 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.12974803372433 122.7710046457135 1.053177320333105 4.305732979953938 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129260499108227 259.6523580880199 2.375221748440682 4.010282904628899 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.129617614303287 269.3402673071456 2.419641514914007 4.058267728091381 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129142253578193 179.1023537631536 1.755086123346436 4.11974432480544 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129622623682803 297.5733532906608 2.623502696934613 4.186260895299704 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.129433866219392 256.0099139013498 2.137527512865939 4.440799207408806 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129953829192614 132.5842512344864 1.105206155654134 4.583970010560712 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129742109457093 138.2778588287752 1.25291412190189 4.333964365112539 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.129964376437261 176.4839886495972 1.297540287807863 4.781676611807134 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129801579105475 195.6889248312748 1.68430617642346 4.409082227594451 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.129100019258853 346.9759737378238 3.112752301421666 4.049960587738378 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.128863045757859 126.9608048433194 1.053153199784992 4.731130432347154 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NAD-N6_2 9.129108328289231 139.0688090926181 1.105090488147066 4.63963121366988 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NAD-N6_2 9.12978229144405 126.5997761526207 0.8941863892443532 5.961513147234459 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NAD-N6_2 9.129689072848754 170.8320860531948 1.15617275882168 5.762606340031622 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N2_1 9.279804955019621 100.6085103115998 0.7401682127043411 4.873386797770432 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.27981810620849 212.7430304437529 1.682334663538376 4.822146419000202 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N2_1 9.280097267648337 199.2397514947242 1.670464235727962 4.609004396797986 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N2_1 9.279616177969883 148.3312227818003 1.221424397109557 4.993644194521948 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.280182839892005 162.1900415271953 1.375282320803812 4.927094278114618 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N2_1 9.280129561554542 161.426522540215 1.388703484435909 4.778565608430673 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N2_1 9.280708235071657 112.4058652056678 0.8560817428775169 5.054431097386821 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.280407648744431 133.2275264640793 1.109517309496421 4.932001789491292 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N2_1 9.280556624290327 137.1575206544897 1.079372442055696 5.283211665843962 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.280104391541611 141.4171435402605 1.271320195804817 4.560446115022597 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.279684212471647 208.7932400412048 1.701464133143738 5.021504246218077 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N2_1 9.27882463227891 63.84046632162938 0.5047288600274836 4.91262957163066 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N2_1 9.279617168721419 128.8161186933048 0.9798577129324407 5.203309605993079 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N2_1 9.28077442917327 131.4552905047212 0.9219331675782683 5.846967396986271 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N2_1 9.28055302407191 158.003959233609 1.0638438825274 5.983983654775125 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_1 9.078977955547948 40.76824985308494 0.4089077184462106 4.019330472226232 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.07834116620378 100.52513824747 0.8930357155255364 4.264059163920831 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.079054182506125 94.83683121737376 0.9535605212900534 3.539066022823694 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_1 9.078417028973783 79.02593470572965 0.7059915994330054 4.091474348344139 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.079125469329021 82.03670396486542 0.7792421036754961 4.319065170360958 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.078929503041746 78.56940247312586 0.709588678939683 4.353690553112481 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_1 9.079348309281077 59.785309936684 0.4702889799564928 4.469030837272526 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.079131985164826 80.64775956986392 0.6824925709549992 4.123113973991722 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.079363512678231 61.41078060630952 0.5436749209996209 4.190599700231301 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.078948153858843 77.46429812854986 0.7123454566219959 3.786606908177999 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.078315954551405 112.6947827511336 0.9569935864136535 4.136943582220403 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.07855942732567 24.41943312315098 0.2359610324611473 3.610989715970796 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_1 9.07863603638871 59.5120633139537 0.504024424909662 4.119878291357679 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_1 9.07927132994075 46.22502712811125 0.4281050550123386 5.149368383321771 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_1 9.079404435591483 72.83635664673312 0.5995881597499847 4.807738998146157 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_2 9.089523909939931 38.49899607516955 0.3587230000534926 4.788092156706558 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.0890837876265 103.7560816709991 0.8870640146627923 4.503795773646091 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_2 9.089395629032703 99.17127070218022 0.873535400495804 4.231433363770452 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_2 9.088918559673761 83.68117056760263 0.6672425219385819 4.502882746380535 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.089391705292806 82.74763659454491 0.7551011091530543 4.499659429689188 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_2 9.089586189365331 70.39177578748216 0.6752371658504154 4.180837032216693 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_2 9.090013626314626 54.24593624577165 0.4340597109958679 4.607541961011298 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.089681024782438 66.65248730270544 0.6327769738173361 3.772672524366864 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_2 9.089745723457241 69.13970377681697 0.5202761908572016 4.937683546174219 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.089472946189092 72.81276138657353 0.6391781590048217 3.993344247686534 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.088648096413822 124.3831698543763 0.9317113279989003 4.658125723758991 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_2 9.088176343596743 22.7739657306842 0.2520966562960236 3.152118521118985 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A NADP-N6_2 9.089206745047026 71.41276603302637 0.5264728758853835 4.688016132166691 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A NADP-N6_2 9.089741428620972 60.03528755112145 0.4842141483981456 5.541081940096241 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A NADP-N6_2 9.08993384450933 67.27898345016969 0.5334940372841456 5.621344344306318 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.925325830353069 26.50848558175757 0.4799643584026428 2.399333649590282 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.92472218433013 34.19764575004334 0.5977788848233643 2.311830087538753 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.925208272590703 77.93994579130855 1.162833570712221 2.578044201015225 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.925804525605649 96.14868781123839 0.8405831851675037 4.49432723823822 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.925198502824095 59.11538963259785 1.03799666202308 2.363565690396284 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.925072377996969 61.11781575393068 0.9284404857478032 2.624650370165958 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.925633402953308 32.01804744266158 0.5949692854022638 2.566409467274765 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.9251987475228 50.16426198328226 0.8210714359922865 2.273253625954155 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.925079957121675 65.40947851677012 1.140013794384318 2.356370276531654 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.925245800762859 73.1133124419102 1.258513507285831 2.348434594581549 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.924446606431632 66.32294900083187 0.9898810500350327 2.629343565692223 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.927720678922292 49.5230405931531 0.4683666194018625 4.505801263667432 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_1 8.924847582241611 8.639201105007354 0.2437626834184797 1.690179355666604 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_1 8.925798368626104 14.04161321801118 0.2738080909987931 2.445663702008538 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_1 8.925292567008864 10.8705221723853 0.2603089228889082 1.99153709178931 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_2 8.929344663770115 27.33178494652442 0.5141255580821769 2.393360489705832 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_2 8.92857344560076 39.14433693808002 0.6384172406147113 2.363284669772969 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.928994952052905 58.36067390405095 1.016326604923902 2.307886912447926 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_2 8.929069253422526 64.2659145451795 1.053354946261927 2.458138126447786 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.929033446586176 56.04506783740149 0.9431419783525083 2.494556195745472 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-2_2 8.929448586437847 30.49428833295095 0.6227170260183009 2.113290804456446 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_2 8.929060394518578 58.43138115022536 0.8685520353213774 2.38172304064445 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.928795166218718 93.12877612662724 1.258181617531555 2.741363009177948 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_2 8.929110114655245 72.4431235783332 1.225439949212138 2.433454909532264 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_2 8.928291412249427 59.0092129603776 0.9225117290785821 2.637919683442829 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.928387886102115 13.33076638756265 0.275800325941338 2.140780115144503 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-2_2 8.929578947170011 12.54804616310723 0.2582048505646097 1.9588991377428 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-2_2 8.929463088088005 15.98400671228232 0.2538558007809547 2.563447637732826 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.570566511526482 14.47106601566736 0.2767185371757575 1.942930743248389 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.569582529134842 21.82940596633881 0.4124877005595005 2.111053991000164 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.57013329986782 36.86075724244669 0.6897613466668043 2.270071911700859 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.569950716953047 13.80946727929566 0.2727252769990378 1.955365957851454 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570062920331888 37.99988400285437 0.7151450266820276 2.226879685145587 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570160185979722 36.3380361795671 0.6904435434072367 2.253344917446204 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.570173842172754 19.98959958559309 0.3678521196294972 1.896102423563909 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570042976084743 27.97395798952832 0.5367700815290468 2.192354750360107 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.569601163370333 39.15425756832573 0.6365224884822545 2.325399328334794 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.57004804575813 37.59246316966221 0.7832899762886966 2.074599918237559 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.569372081428352 27.35479194052952 0.5856617244592853 2.226262193007773 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570724652619875 8.09458640388483 0.2 1.41219811983575 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_1 7.569244246348335 4.428682597461525 0.1013802489562659 1.524235820705973 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_1 7.570403975250985 5.605803740851966 0.12 1.63 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_1 7.570275468493455 5.700380184332599 0.17 1.17 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578806473729536 21.2885050824 0.3188159056870553 2.440220804201598 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578461311242182 14.81934119066548 0.3463747440697118 1.839127713201395 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.578263897917909 37.18236236249971 0.6954009674312687 2.299374985754802 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578607243326045 23.95891411487302 0.3381469239677934 2.614383630460384 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578475829168051 34.28142536015661 0.6772509215322877 2.251916717188877 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.578735639573632 34.93908352010649 0.6423172532913572 2.436794884144273 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.579376456086639 30.61862590865858 0.4281932355037757 2.49503622797906 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.578564043245979 26.31507123182509 0.5546840107724113 2.107006715937862 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.57829700816264 37.32279225990129 0.5983719214464654 2.426103304775017 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.57860714239913 36.80189314171059 0.7536529807858176 2.327493495114003 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.577831990885556 35.25903511832011 0.6260376638967039 2.369288717947809 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579141994415288 6.908844171994819 0.2 1.205331101938298 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_2 7.578815321320953 7.495092599943249 0.1248976508130611 2.093889187931287 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_2 7.579028196092676 6.711312022421025 0.18 1.300965820693502 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_2 7.579155347370246 7.817931206835622 0.21 1.298983131079623 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.583559903412755 11.46082917964998 0.2393518476278622 1.809339164801541 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.582939052527031 19.24025800263809 0.3241517292404151 2.344134529789847 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583398613680084 39.15201745646975 0.7148182243509319 2.346070922360583 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.582782658913818 18.40152536208788 0.3204669862507803 2.103505025235466 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583434281829127 50.92951130805699 0.804875829593672 2.468157830068141 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583560542909464 30.24072660470852 0.5934458653812554 2.3430879027992 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.583131324495597 29.20514866524234 0.4066765635865405 2.505770185769261 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583529107202122 34.83448096891481 0.5892133948168795 2.341214135438801 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583097158012415 38.22925532572793 0.6138553843526219 2.362950202476221 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583539450605813 42.41683419361458 0.7832178308912374 2.326159129333471 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.582747093963817 32.05821682952526 0.633072681625964 2.29960650414203 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.584028418292275 9.301717277908084 0.22 1.475269676398809 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_3 7.583227524380708 8.322593955045907 0.1655567519577009 1.754053237874903 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_3 7.583807823866169 3.373049332009148 0.13 0.9053370671939173 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_3 7.583480431081459 7.381269427819485 0.2 1.287751379485564 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.591592068595291 17.62886117387965 0.3188648489672994 2.08558733139447 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.59148074896359 19.09875179838915 0.4399954876794535 2.068933345196814 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591806549129187 39.77747192453986 0.7846541770724798 2.171077828858401 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.591448838602659 17.15994212612109 0.3176076518993572 2.040156606203636 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591914781316027 40.38099372634939 0.7979262442365744 2.136104382567856 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591775533524828 38.05341282270354 0.7024499926855776 2.280774927606068 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.591725520242748 23.28477509650924 0.4155381771269332 1.955204007093191 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591771547738758 27.62713317070871 0.6344540629928033 2.013211742124138 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591457718657968 39.20058593300251 0.704969743986478 2.30687708812583 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591775576667796 35.75088131050228 0.8193372593852792 1.991200619641868 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.591184027417384 30.48991746151935 0.6730020246829541 2.061983061379883 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.59227661920204 6.785818605619649 0.14 1.691239728144267 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-5_4 7.590658016118076 4.110169223796493 0.09480871863706941 1.512663708051661 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-5_4 7.592167758836085 4.892823127463655 0.16 1.067014927714051 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-5_4 7.591870618544331 5.657637990385888 0.16 1.233803886647588 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.693137836142117 23.2283176241979 0.4357559311989986 1.879152758482822 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692285632905355 34.32359172685331 0.5484973138418979 2.261582047026963 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.692656993744334 60.83953724823908 0.8917041139733293 2.397090471175698 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.694014833699976 65.04690741824191 0.6092090939094569 4.426493015303979 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692744084993217 47.43113723886809 0.8745539861684507 1.920317798981923 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.693008756771727 49.85318658658415 0.7892502941236698 2.140821276833284 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.693177207237348 21.4045804056281 0.5247201259273876 1.830156607685325 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.694652827657517 52.50212573315985 0.7862382330287686 3.182822840752445 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.69268946394641 39.24165841399673 0.7561509920413341 1.860653141830053 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692892619268592 49.10936745852768 0.9699879353238483 1.820849515335295 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.692237458369009 50.06302986983084 0.8364429906310196 2.17425442565373 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.6932887668027 24.5920684090311 0.3448020818946951 2.453764266979244 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_1 8.692512771109286 6.390498279869781 0.2221027008734914 1.29310370395721 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_1 8.694965318104126 21.12233509364589 0.2596030200065413 2.865054835190791 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_1 8.693147039805902 15.3830972126437 0.2798692737425471 2.027524357164016 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.696031490082602 15.16324341826763 0.3412513941250823 1.856576969382296 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.695135021057892 22.94434165544486 0.5233283452702957 1.553683639725241 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.695482232388594 39.32339047032185 0.8659111767695205 1.602105394493925 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.702351046174833 30.00504110766597 0.4384298000527456 3.240556897650024 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.695539710898482 47.67013300050804 0.9630122423443622 1.738130992538591 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.69573503231079 31.05773726220773 0.6619072899782577 1.587242891105797 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.695867768038369 15.87424566150556 0.4834718160725541 1.565844530478671 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.702758566247494 44.74692414443992 0.644280082191263 3.310382819681878 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.695315919395945 34.83565957606859 0.7036783890725871 1.82998082372767 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.69564992724853 43.93073374475977 0.9529001114769392 1.622653816792287 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.694905203774212 30.90652000774752 0.7183756608344024 1.559944726217769 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.70226487387527 30.40816938574349 0.3078793470568026 4.139774418945464 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_2 8.695044908261396 6.31445350643457 0.1833057617835269 1.403633363385973 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_2 8.702123866642305 25.48490666961349 0.2977836349947546 3.449722439290086 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_2 8.695812822682242 10.84036549855961 0.2771716094330157 1.462872987471353 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_3 8.701596168726283 14.57858996947671 0.3437586851314062 1.591392383212053 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_3 8.700968358177136 19.74205515062108 0.4620465587248274 1.589146572030602 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_3 8.701191352506408 34.90678253618955 0.6973818037269282 1.773190919481632 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_3 8.701260624343773 35.3231847313832 0.7329383028402571 1.696310031945927 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_3 8.701501818758116 38.43893048520175 0.7625544130619527 1.780588280484797 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_3 8.701765274472157 28.99213364650752 0.4889542989517467 2.352753675326027 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_3 8.701017569082378 43.3209282179784 0.7834729449537061 1.91917620400058 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_3 8.701315595342336 46.85805492551398 0.953631774272243 1.714044926278631 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_3 8.700612023060584 39.81176323875778 0.7104122282700254 1.927155615216308 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_3 8.700844596699627 9.28323639817189 0.2301435621935246 1.409973421049604 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_3 8.701756484996224 6.815677079114429 0.167159123303366 1.431268343360766 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_4 8.704260626611514 13.14931420484003 0.3296348140943041 1.55154032856914 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_4 8.703662048770742 20.14342701919597 0.4264671527242775 1.671448651274415 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_4 8.704464192426098 165.2917277626084 3.426945112736259 1.69356541365134 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_4 8.703930760408412 45.41082534732459 0.8035788023363605 1.920340201463006 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_4 8.704294656044647 46.5147878338116 0.988894953764244 1.686426731046236 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Nicotin-6_4 8.704424252003358 12.81722626803062 0.3262126907908795 1.436716100817607 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_4 8.703669677980553 43.57452541603465 0.7611875832143131 1.95245254471225 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_4 8.70397001544375 39.03901866490301 0.8596000165867479 1.640263532336103 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_4 8.703395396499435 34.02489369267752 0.7046511650565775 1.686426731046236 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Nicotin-6_4 8.703549925214677 9.908581544752694 0.2140958372847414 1.865542716061821 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Nicotin-6_4 8.70489200226164 15.13675754312916 0.2607930152049196 2.339585020871074 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.214856737919478 3786.944560003676 55.61031536733996 2.47777531511249 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.214616883176397 7225.007829169339 106.7233108535361 2.427200349980243 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.21512567811787 6498.808840011676 91.59696022793979 2.498713785928245 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.214448918111051 6663.622959570834 96.47125289116886 2.476504325625314 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215155571647021 8254.605425812959 124.0786336601354 2.393360002856747 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215022679622313 8208.295985907167 120.6303068168693 2.462107381874559 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.215506161806363 4360.356840696705 67.79530068776417 2.371231784818775 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.215423800554723 5545.857270838475 83.5121563564585 2.403048193970276 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215233746266056 7393.642476997095 110.3714965217582 2.424003357667223 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.214902466943027 1954.267866273845 33.31889603640763 2.197012995446703 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.214594549084554 5800.218987463423 92.20811070899532 2.353880278927592 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.213013574328286 2490.774665531442 33.80562712626978 2.577710316899787 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_1 3.214569638063446 5887.517048761829 93.24815589747365 2.32770773988806 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_1 3.21544969976685 1389.117294901277 24.2404022884827 2.171406058343355 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A P-Cho A_1 3.215437728558358 7796.786164805892 120.1699195641774 2.388259611023319 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A P-Cho A_2 3.218512036927518 735.3016427081325 15.61703884536118 1.651662692005218 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.219748702260956 1170.052741386309 10.31025155424346 3.856412015529805 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A P-Cho A_2 3.21894346183601 1610.948306821616 23.83205607849928 2.358582402849132 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.306963977420027 65.74079821935628 0.7257423667835317 3.368825751102745 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306119772535932 114.4903312434933 1.289787486112416 3.324677169948849 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.306283754256321 131.4345370799438 1.563858763746185 3.084888156423836 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.306084259563378 72.98200745429526 0.9455410261198479 2.92860114729224 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306288557554166 149.3559282923509 1.697412594134219 3.269662882970253 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.30641047534161 133.5207587566602 1.575830331838455 3.123855257262588 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.307022952113556 113.9312673561966 1.494441846961272 3.072957893492628 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306684622767213 125.6175674871587 1.407719181782168 3.272281712931735 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.306527085391668 154.5889974432589 1.724968218181967 3.304068553811545 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.306577178187179 107.3791282487352 1.222991311506052 3.23978955030938 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.305732699348022 134.1546034382074 1.450794593495514 3.393695418699043 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.304986595877096 74.10703579833164 0.6671076678615556 3.876095521625516 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_1 7.306359659321929 78.87742539294284 0.9671381958835791 2.924090331709586 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_1 7.307141535143218 101.6542506871418 1.140725575226846 3.161018864158465 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_1 7.307140278454225 111.8593426348891 1.24161754075438 3.2574077442577 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.319647241621301 56.761696089867 0.6106049936148327 3.661056931725254 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.318698897143876 82.71338199112314 1.059654769144903 3.010439155065961 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.319441226504598 102.4631353924762 1.272161092238982 3.383615867393474 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.318204021869749 60.43655912953643 0.74018874931138 2.871703237613503 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319391499517188 117.4710690259302 1.476129794050429 3.206318822401657 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.319192660519485 108.3676560869819 1.317561290858308 3.313822043650586 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.319653849258332 96.76150633337063 1.270778631143827 2.961531237310209 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319376865181297 88.10844536326363 1.228349299549246 2.917757452481019 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.31959145758123 130.2873308456561 1.544702851566986 3.506767306389122 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319462998587853 89.37526291160631 1.041808043197992 3.525973313324991 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.318912848068241 93.75105624467646 1.124774029258216 3.554293770929708 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.317227491201821 50.07713645476917 0.5035481136672406 3.470000000000001 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-2,6_2 7.318569551770553 62.00529195654401 0.7979757748057155 2.91602937808379 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-2,6_2 7.319862379101353 83.1367720535082 0.8735448318213336 3.508807367968465 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-2,6_2 7.319450070932692 81.90516327420585 0.9615968936801373 3.218566217239488 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.40066441157818 35.86215108367758 0.4977971251637051 2.739828721701132 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400198502959904 62.35916286878553 0.8491941226777252 2.576016831673126 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.400562873090184 82.48338415628949 1.088090516272175 2.576016831673126 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.400250420530356 39.49781802545655 0.5694078104650169 2.464689721930529 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400552917623689 85.71706023020965 1.163815118392053 2.576016831673126 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.40077137352468 80.12374967025666 0.9994436722136579 2.858055151456997 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.401079616380375 73.18494063900529 1.033934197723616 2.685676044111246 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400797148626224 77.9696705982874 1.011778033990743 2.604780538014973 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.40062440210932 94.06636857554355 1.200973528068373 2.798916377478984 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.400534424798635 55.18545879345179 0.8275880326964142 2.521207962914124 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.399861377151037 66.69214211460826 0.8845805803809779 2.740443437950134 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.39927502707604 12.7772619535434 0.1940729064807675 2.357822831904877 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_1 7.400448249550645 42.50767071380969 0.5877491171020696 2.554827891351942 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_1 7.401330242205817 48.99829119415579 0.6418812824331599 2.663527494160314 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_1 7.401154454860481 56.12141533788389 0.7334781731931258 2.724226318632417 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413458624764241 48.22366497892725 0.6424955822630094 2.778228358379012 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.412784883702779 73.76481238761728 1.100068972162168 2.411590225396118 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.41314770671374 92.54797286678713 1.298299575470279 2.519738873594913 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.412798707467232 57.91035506842793 0.71413142755838 2.829495732067802 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413065209832816 113.107522247053 1.521739064495257 2.668355548925833 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.413084759439223 83.5983125405246 1.221527001905206 2.625327116167837 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413693501227577 87.52794107318822 1.257625954341876 2.45603616291945 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413419353801975 90.0585370640497 1.229389419621916 2.556032538458429 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.413236588851572 112.3666642167243 1.522454434321111 2.567978430256975 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.413255672405641 70.65941132566402 1.014885863653987 2.580057176126067 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.412602118752377 82.71242666765575 1.144703613850723 2.521207962914124 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.411272274344739 17.1102824064262 0.2836186891862563 2.498234519094841 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_2 7.413114580154071 48.45205984406701 0.7087201405926209 2.413381318785436 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_2 7.41387626617798 54.13418692497835 0.8266929433529101 2.273316188414993 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_2 7.413677136932527 72.33406547692022 0.9776066538587508 2.58172325985901 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.425621265356279 10.09735055005669 0.1710497116146269 2.059757292005145 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.424755987954109 27.18189268287977 0.3587704013913188 2.643589683655226 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425358418581767 33.28733471324782 0.4164962371817804 3.032443663068396 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.424959814984598 13.68929267598479 0.2150834884783723 2.220776731499233 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425297728966544 50.89449718940662 0.518673167034896 3.092358977116454 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425375237653853 44.73601178774909 0.4781093968231787 3.021916762612906 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.425694577480559 38.3677867414034 0.4232772685301855 3.001934345148392 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425507478207674 25.8000897010412 0.3739830517641337 2.443984413365847 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.425450456492069 43.48465631413225 0.4668111738528148 3.581684225785213 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425150296347337 25.87198189856782 0.3611231968590226 2.322486947934197 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.424573223003708 26.95504813506187 0.3756236820444723 2.484932449487078 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Phe-3,5_3 7.42486329733078 2.024203865906895 0.0573694407501868 1.682675657112139 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Phe-3,5_3 7.424975885674679 18.0647199576551 0.2108876892883527 2.988897120316777 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Phe-3,5_3 7.425669642283707 28.16812196907739 0.3348175516823227 2.829595096153207 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.396149917438923 1214.983972132062 21.47812987172873 1.922300748815335 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.395928258758937 2257.903550535097 39.15609851009103 1.937141818985556 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.39650517473772 2638.478430083391 46.61788036690674 1.919218125635466 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.395795612692962 2578.276328839438 48.12525220625079 1.802761290059103 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396459990193412 2837.818831398408 50.62509035393941 1.912928201642048 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396383933348476 3647.026885689416 57.89469625769151 2.113244952798455 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.396853761351432 1777.585603880115 31.00913806506048 1.975700177943056 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396704230217761 2194.543655160125 43.06316403631248 1.778153503383846 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396521772141795 1854.104865539138 32.24933509599679 1.973119275324097 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396349899154272 2641.380084698691 50.5599450031204 1.799723928905663 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.395965481202296 4013.009531235006 73.77873483342066 1.831061664996092 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.394218337933006 1108.322590098207 21.70475973220396 1.781174201172612 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_1 2.395850360439263 2029.812287964389 37.68038763548274 1.868898874237127 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Succinate-2,3_1 2.396831384806435 1695.130301923085 28.75585162348703 2.003199041280655 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Succinate-2,3_1 2.396696580199663 2531.219514326902 41.31148452022551 2.082122411555587 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Succinate-2,3_2 2.40430744347034 63.27420394815961 0.8521061359801777 2.617610386676593 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.242728392855781 1919.713484966846 37.07085733767509 1.909217261633561 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.242575074160448 4501.164217165687 93.10035461083329 1.810249750007621 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.24314364020601 5925.726958963968 117.7128337696404 1.855963318071597 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.242411024274874 2826.722056263667 52.94482853726623 1.927066637345873 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.243129684609984 5538.731651949157 110.810959693157 1.84280412172414 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243088715529375 5756.965056773193 104.43051696219 1.976481525808671 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.243531065485492 5488.148669174195 108.521279650462 1.88998461246437 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.243400339753934 4939.711523963015 95.30563087691843 1.933430383941166 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243233339898341 5818.03603541521 116.0019690699075 1.870449131489599 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.242997333054174 2856.969932794533 59.10180477607683 1.792922037931504 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.242710853195755 3815.935757309168 75.97373889263781 1.860731700272375 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.240678177017622 3090.675062511366 50.68792625008823 2.248021140609144 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_1 3.242499804445373 4656.798876919807 94.36557938229458 1.83658020158375 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_1 3.24354513785399 5324.525243235415 104.6982413190473 1.883685582399468 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_1 3.243427356541262 5827.035837484567 112.6890189434851 1.906415927968435 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.253738035318105 5579.932128917403 89.38592727995804 2.192353988420512 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.2536029074047 13380.51300255289 217.632927163927 2.137545881601105 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254145995028695 17231.37091198663 269.7223493005364 2.192354750360107 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.253353009638311 9831.740186895868 135.982336521101 2.411590225396118 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.254159369841199 16350.17390723891 260.22109977492 2.192354750360107 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254110241295615 17702.38162953155 250.3040119927441 2.356781356637115 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.254580348856166 14055.80187564651 248.337196554859 2.046402481276892 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.25443225667829 12485.78870631243 215.7749362396101 2.067245841754821 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254271779558616 16528.13943381203 265.2438841271254 2.174250358958679 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.254010440356546 7020.45149449378 125.2210623079797 1.98514581061771 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.253706114427331 11089.29456390037 171.4911340459954 2.227394139130496 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.251549282491494 5233.242244066461 86.64926612143272 2.10735116226547 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_2 3.253542966258206 12393.26848711361 214.8373364397079 2.047100898796985 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_2 3.254590948969046 14400.78193110521 241.427233889854 2.097225445353674 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_2 3.254489341219351 15626.22290189075 259.2066020002005 2.13619518277903 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.265038356964165 5049.303849537658 71.22316501087171 2.51178682040809 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.264842951854423 11479.48064045978 170.36657448668 2.351087595500741 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265378787867218 15540.66337028897 217.1323207492565 2.428718078528 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.264750326376535 9404.726513356683 119.6236020875051 2.773117196390438 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265457417982212 14222.52959978841 203.6765178279304 2.436502415540516 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265377777631354 15277.68621051506 199.0144905341171 2.606574865217915 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.265751569379221 10629.9233084688 171.5739590952307 2.161771165932398 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265627350525673 9799.05641592752 150.8485710985808 2.285519890607976 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265467393515923 11630.26821358896 186.3048478680879 2.192354750360107 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265294657003217 7252.210681192591 107.4767661774608 2.40602831154405 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265135324392205 10470.04769656764 151.508347514896 2.574406800359241 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.262732088274531 4374.619148042363 65.08111743895454 2.299037607002649 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-1 (SCH2)_3 3.264794905060916 9840.76462709109 152.688155806304 2.243751538855761 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-1 (SCH2)_3 3.265828313338557 10856.23921876468 169.7805580217768 2.231117328397341 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-1 (SCH2)_3 3.265665008842059 13100.33598738548 190.056079066838 2.342762424524985 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.399837345418925 4704.55777904531 74.82440168067612 2.188023315934479 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.39963210277589 11661.83686290108 172.0007447144384 2.24716361911911 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400175190399885 14084.46176613097 211.0612214051565 2.24716361911911 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.399453108946191 9348.098578016496 126.4877024113104 2.466399094155121 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400135262533707 13006.81604871373 202.6857691439378 2.192936665292684 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400170376940248 13474.09504867221 187.9907585882807 2.411590225396118 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.400597858460579 9678.59617750062 180.0139051346702 1.940953515111499 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400429064879354 9350.517191525912 163.8164643429083 1.991631773329566 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400266572875086 11769.96653739938 201.4127710402208 2.063343923714218 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400043884742349 7051.008601341331 116.7034320026014 2.108135773374804 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.399742398872991 11210.61403059915 159.2239615771956 2.374029996118107 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.398094222379106 5033.90541404837 70.98102128843578 2.331667711422082 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_1 3.399570251017937 8311.55850469785 157.3273787628908 1.900341781382633 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_1 3.400573742672854 8864.932263681167 168.1427362467969 1.894091134466954 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_1 3.400449337825488 10740.9933630074 190.8465198060268 2.010700896434804 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.411010410495728 5826.316647385261 96.75100018074005 2.132970270019993 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.410758878096891 14056.75311128543 233.3547841574604 2.082737012842102 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411309859400335 17101.8105838539 286.5092305517516 2.082737012842102 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.41062480673174 9438.456161635215 142.2183002956859 2.245629130147099 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411259945281561 16437.80838749948 275.3851008913643 2.082737012842102 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411232469899205 16367.73164762892 253.9919359320738 2.248534363928494 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.411684438503114 13977.13694633656 261.6782907330447 1.955907308304719 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411535222924177 12694.97843954509 229.2890305672853 1.985067519624064 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411391200653394 17502.15206929777 288.0204888401159 2.137545881601105 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411154609073118 8931.759885579775 148.8174583977552 2.082737012842102 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.410840971275325 11676.58107628981 189.2240604123284 2.132689884978985 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.409226732234075 5643.429973448566 92.62025897593921 2.100150287034947 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_2 3.410684290046393 12019.33721445576 224.8987982440403 1.915868626699693 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_2 3.411671085187641 13662.77503351775 251.7382749516461 1.945880918848229 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_2 3.411553762779872 15671.71418139186 274.0086458580017 2.045564436627209 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.421964022412662 2276.561043592153 39.46940367936701 2.012563983760716 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.421715068085126 5645.420149949935 103.9244504925793 1.931691986282512 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422260603376476 7099.077412387548 128.7501814298547 1.948739329230482 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.421568532349708 3014.306693097768 55.36905988819627 1.899552274619388 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422214582914407 7052.276191514977 126.5848018348745 1.986747956784666 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422188250803639 7322.730868530563 116.8472432515127 2.12730346528104 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.422679680650768 5967.014371254589 116.9339180013167 1.906000303648958 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422525347000078 5346.370655902284 100.1363555040214 1.930007005273254 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422361016498758 7270.577442595606 128.6459777354208 2.017085684834881 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422108643458336 3619.090838632067 64.45006126564171 1.959327846576809 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.421802846984432 4225.162132358117 75.97076491737248 1.940563422136819 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.420195813634228 2117.026450416372 40.58007180145147 1.870342157787765 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tau-2 (NCH2)_3 3.421666929570486 5516.059042591096 102.04671388858 1.938012062438017 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tau-2 (NCH2)_3 3.422633011067894 6329.609296219128 114.6227156323929 1.983929983063792 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tau-2 (NCH2)_3 3.422520574093894 6919.057385763328 119.5049196037315 2.034578717201073 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.718467884305797 14606.61130965857 236.4484564571619 2.158237287268835 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718090577930423 19798.01207435688 284.4214606526559 2.274339875100573 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.718689007123081 24402.49571979977 297.4065603947161 2.552561373423906 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.717918531001899 18489.49625222713 249.5347319532701 2.40537009593779 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718666859497981 26693.29820705238 318.1537360099827 2.644101161152138 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.718664528994495 24040.06546611022 292.5010847276362 2.62531898545625 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tris_1 3.719120558221347 14656.90246547894 247.9258367555384 2.078538393955205 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718936307638314 13475.48822143839 239.1937345262641 1.997388978419857 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.71878244926556 15577.32610829988 254.930332242157 2.137545881601105 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718548359272456 24514.25966964964 299.5525219122529 2.572156231609046 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.718110013201541 28731.81269259544 312.766294394265 2.826641415777389 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.718081599909948 9454.865932397375 173.0827453524265 1.958520824772118 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tris_1 3.719055856968594 9791.66363963961 176.3705428169878 1.956409351626742 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tris_1 3.718954671288627 12533.89530174515 207.4655961234873 2.108001598026967 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.519857857663409 1.682738317132332 0.06184888930378409 1.297516032895939 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.516848433108723 4.159670831610285 0.114597041275599 1.731050346180792 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.517021301707473 17.08338284342344 0.2615509473317946 2.403019173515476 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.518415035766267 3.164684353928349 0.06532675707762947 2.310278885220692 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.517265684702444 12.46689482244686 0.25 1.74 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.517669935480499 23.9588528337651 0.3545288221303986 2.451722768512755 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_1 7.518308494066702 11.50694112434769 0.1844606860413341 2.176642140016543 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.517982893582003 41.19347830603221 0.3037255087752833 4.732364172393146 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.517775987424357 14.89150334127396 0.24 2.165001806020017 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.518105118412842 12.28092598676315 0.18 2.380617217895636 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.515690355780332 7.987978367120218 0.21 1.327237203270044 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.517580574335136 6.23936287407284 0.1158074594536744 1.879899669498623 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_1 7.518934342890405 19.19042016806992 0.24 2.79 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_1 7.518697863414499 21.49508815122656 0.3060625361269319 2.756952061154583 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.533443155527435 5.930894198179773 0.1065897623951678 2.366406253843915 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.531221198070404 24.44528485187591 0.3095320220711599 3.13137861278289 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.531011019103745 16.8408819044024 0.2861710329495555 2.372144236418587 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.531200001013804 6.396458201246951 0.1563174837035462 1.4703005220978 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.531028599385656 31.62614273047473 0.3688251584719099 2.87084804508364 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.53159841302479 35.87830995657188 0.3666226367110032 3.428696546300031 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Trp-4_2 7.531770758604693 16.89880900318042 0.2183345532003205 2.700626886836696 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.531343282661857 41.11590230768709 0.4772235586332232 3.006207209411659 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.531273310613822 31.34362666267107 0.3019234258018516 3.394345954574182 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.531187826425779 16.37032258064746 0.24 2.38 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.53030925386171 35.75536398356348 0.3244510482476092 3.845235854753228 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.532040147127606 20.15529105296793 0.2112755326745207 3.328670675582289 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Trp-4_2 7.532179492989004 12.10068552816336 0.1426425930140931 2.96 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Trp-4_2 7.532216571563269 24.69513778772505 0.3109587598143622 2.771019739638379 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.172357591448961 63.91652747226163 0.7693438666185395 2.684027696217192 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171385054019268 86.64810010715946 1.148199544164352 2.531762042617817 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.171621324420143 82.08117058569185 1.244154669855423 2.301972487878113 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.171443766696952 57.37303923628789 0.8733706230965194 2.288817879796325 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171712706895344 101.1478654978284 1.555223382476447 2.34578812102923 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.171797538834581 126.1876429307135 1.752722180918075 2.512091205723756 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.172376296509306 97.66093378046556 1.528773711385364 2.355207811962446 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.172136499339834 100.681002558484 1.438159920496816 2.401110754554166 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.171802834258002 109.6543407669698 1.715433274016447 2.328306493432272 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171825983608394 78.69145783864819 1.167836032025915 2.348841343152317 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.171008558055035 86.15259538109393 1.288558080455764 2.332895728716201 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.170643367657677 54.49802528948155 0.6574533406478146 2.790455657336668 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_1 7.171829849235184 49.83551232611998 0.6958313380409475 2.555374633194767 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_1 7.17259470100192 50.4236592274799 0.742896105263068 2.26582067537266 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_1 7.172423621694885 64.11641765949126 0.9650065088298548 2.405938331290791 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.186473412104598 65.60239589319569 0.8064227870151341 2.755997598198638 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.185274620373568 84.22189167007915 1.156423493536427 2.411590225396118 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.185602843125895 84.84035736030748 1.238275590846773 2.356781356637115 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.185516667877906 70.55369415934909 0.9572420312215332 2.520783838908057 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.185602843125895 116.7014990089345 1.632474187789307 2.466399094155121 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.185612519771976 130.1884486522951 1.754812672813116 2.572364427541673 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.186333902927503 114.4277024450305 1.600818136756595 2.491280109901837 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.1860597555019 92.64959759648698 1.389734677512452 2.362260657633056 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.18571876931814 150.8360077723719 1.865592337971352 2.663418559956377 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.185754244215366 98.88186857298201 1.287582840010185 2.576016831673126 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.184801545934654 104.4214051276834 1.348404808093501 2.631579477429645 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.184254740465811 87.37819307594789 0.6409396726728768 4.719285317844459 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-2,6_2 7.185672211306759 51.09636313611679 0.6993244041732193 2.44704450509004 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-2,6_2 7.186478569533437 57.34155499692177 0.8213620493992406 2.433228963839382 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-2,6_2 7.186340951009644 92.0303072535715 1.203777418233985 2.545037308490395 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.878654316152964 33.46370591971319 0.5852296842032692 2.022871325149458 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.877536980489086 63.99149505596115 0.9491416574785333 2.222169764291973 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.877722161778329 63.53040121982329 1.007773695938708 2.105142563735674 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.877614105042515 55.05217916731992 0.7484770016243514 2.344537200366834 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.877712471489997 80.24118403659695 1.253597114444273 2.150498859201392 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.877930453909378 87.5874929538634 1.441968880650753 2.046022232100439 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.878557726450552 78.34098145671155 1.240870178552646 2.106512884669767 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.878283579024949 81.46502012600791 1.232642030243999 2.245853625123834 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.877937627003646 81.37863980006595 1.455274407499147 1.973119275324097 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.877918049124145 56.34829537739954 0.9472045926436916 2.047750537448007 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.876954532851667 68.58496911338612 1.071432656146866 2.17173515774146 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.876172128755689 328.894703929832 1.58250403654451 7.514692522282764 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_1 6.877899859986636 32.74002758826717 0.5070255998764254 2.074283095553799 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_1 6.878649108925753 37.69214663090775 0.6766677869721651 1.971016781394002 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_1 6.878649108925753 55.5982571162344 0.8609311032556545 2.227475810746035 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.892818599809118 42.62933558085258 0.6920865362382113 2.178530447112379 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.891630627631505 49.27007378829095 0.9400023223085673 1.828880155433523 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.89183893981176 67.89760609365867 1.117762884747477 2.064201208425507 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.891621038475258 59.96372166322612 0.8772280981675613 2.258196498631377 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.89184348090518 91.01425985108231 1.429213329040637 2.109125171027786 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.891903720017861 111.0886684400082 1.65142080351739 2.216163849619246 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.892594549503534 79.55996852904507 1.405101835355653 2.022636919030207 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892279457878098 79.87433229919837 1.356321720616825 2.017532941996753 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.891991290728392 108.2082030482404 1.679796431849667 2.167523402650403 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892000852544441 70.42839808219185 1.175859555415415 2.057975669041368 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.891095487551394 82.2097407811882 1.200520919315122 2.211597343970233 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.889698706855811 561.681090992558 1.962854249651087 10.0487102772792 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Tyr-3,5_2 6.892147054316597 29.81938822965586 0.5761611894931739 1.888647795374182 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Tyr-3,5_2 6.892904775057109 38.32674342582062 0.666264682805437 1.974056750015749 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Tyr-3,5_2 6.892630627631505 55.56517252565749 0.9537284274263058 2.062091304006497 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.952472642670878 35.48561870775082 0.7574883526482791 1.784108691135444 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95203 92.750608 1.794499 1.855142 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.9525 103.440058 1.979481 1.895891 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.95194 74.066499 1.48725 1.801423 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95251 110.478397 2.08985 1.907825 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.952521372792604 132.3600445736563 2.275472587350444 2.060551830375791 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.95295 68.35486 1.34008 1.880573 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95277 69.585894 1.410839 1.816762 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.95251 103.052289 1.64468 2.189362 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95251 119.33283 1.980839 2.080852 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95199 145.028263 2.440892 2.098957 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.95075 59.703597 1.071864 1.974049 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_1 5.95203 47.110803 0.937992 1.825664 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_1 5.95299 57.839669 1.034229 1.960625 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_1 5.95278 58.211249 1.134877 1.871079 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.965644504940733 63.66954216647364 0.926975536017317 2.372403233129481 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96529 98.353094 1.667522 2.05801 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96556 105.668723 1.906506 2.011857 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.9652 123.542991 1.7622 2.382376 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96565 290.745061 2.174171 4.203401 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96540114519139 387.9191643919297 3.228415350997977 3.756154145930502 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.96644 70.303846 1.271199 2.025584 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96601 92.917689 1.57774 2.120753 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96572 143.606505 1.920249 2.5593 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96578 139.100525 1.98846 2.421508 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96531 172.869849 2.637267 2.333647 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96393 66.956231 1.02389 2.237882 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-5_2 5.96501 67.434904 1.220686 2.036934 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-5_2 5.96567 76.614818 1.220688 2.217055 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-5_2 5.96572 72.002361 1.16901 2.134867 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.877256420099243 13.55398595889349 0.2756060936212649 1.694018112595442 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.876642327823029 33.97273832258143 0.6821769201350392 1.696613980792704 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.877179054661987 41.95902157944897 0.911764656383539 1.623202419469344 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.876706588896992 21.44257530114995 0.4789279967583397 1.562203764124536 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877208235581742 40.32341729054691 0.7899702440700345 1.753883800288086 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.877260006357988 32.60389942841088 0.6813659604830801 1.663008943514863 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.87782509277343 24.4701910628273 0.4614105539081041 1.850464670074194 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877485517644741 20.77454722477722 0.442055274569123 1.674210324325686 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.877234337359506 31.60059656635579 0.5496385601514301 1.955943648494435 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877185415447024 38.49386992114113 0.8201151200517858 1.639504387864845 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.876550945347828 41.3552593063521 0.8960427301039461 1.654735642267349 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.876457332996186 17.62641859166143 0.4419046596561282 1.485603502578154 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_1 7.876844226398696 11.82494500082466 0.2502854031537733 1.648521322907243 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_1 7.877799962303346 3.935304750279764 0.1092429829388928 1.256943570826464 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_1 7.877637077738677 16.07032280138821 0.350399899112387 1.590348853216163 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.890761734114665 15.39582337514082 0.3190760570901295 1.704937877391595 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.890246384982554 28.05094330700122 0.6002656821720957 1.675446440939441 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.890700872867784 44.76865201376902 0.9134616936577421 1.699074931529083 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.890273625124284 22.1578054832028 0.4496361657925231 1.753883800288086 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.890705582658279 36.430650594642 0.7609548751435297 1.711678766743253 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.890791779255277 40.50688546662549 0.7784460342857084 1.81564652547577 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.891199361947357 16.30298626945727 0.3818634331301872 1.666675807395516 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891016419104705 17.22400539653754 0.38650039710759 1.619920588931237 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.890808901361332 25.87263933320789 0.5801231654504296 1.64426606277008 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.890756819454558 35.39693772165415 0.8258782236156004 1.530994279096682 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.890094896262273 47.89660926587167 0.9391834443597457 1.797723569771389 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.890164774292906 20.6435042428704 0.4376779997762374 1.645150062031844 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A UXP-6_2 7.890522468817546 12.76343190514622 0.2673163850922762 1.665991754240917 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A UXP-6_2 7.891004938122684 8.908591158113154 0.2124381644174113 1.463212658056479 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A UXP-6_2 7.891204520493361 18.27692927096775 0.347069864727273 1.808692669047089 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.0279673318004 205.0267477532338 3.561738636329197 2.063835455900644 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.027653116546046 349.491705812646 6.154230000573541 1.973119275324097 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028159535525003 463.0208986697344 8.361550778980574 1.953203080062491 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.027505629723048 275.7151113979374 4.875713651568256 1.973119275324097 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028181574530909 546.4663198595921 9.8302539639448 1.973119275324097 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028096992321039 507.5266486970746 8.732472961189544 2.027928144083099 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.028610119356423 400.3566466904905 7.006167500264175 2.036008227445276 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028431117118473 339.2087381221783 6.116596733057598 1.972833706148917 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.028227347222687 452.0327104750893 8.186615313907453 1.973119275324097 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028063261207437 328.7879701315316 5.871841248190756 1.973119275324097 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.027698487839254 364.0636442779613 6.438058731876328 1.973119275324097 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.026059584906333 163.1264278395442 2.703054066062744 2.077753379939586 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_1 1.027633126879012 210.1678203066329 3.902883821456499 1.922720028751348 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_1 1.028617193983667 290.612143311331 5.627869957495165 1.858322497837231 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_1 1.02842893879834 347.5485824219011 6.261506490902967 1.978473978599726 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.039846938111203 293.4611032136645 4.009423278780814 2.487229663920888 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.039366915824241 315.6322174420639 6.077124873775296 1.855018816126542 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.039870211006749 477.1656076342009 8.58025224945703 1.973119275324097 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.039222768334193 273.3481329302944 4.919496550772997 1.960433567271204 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.039857238433389 538.6656987727696 9.841034063448607 1.951502676013601 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.039839692673399 498.1678934818869 8.703977584954263 2.0177636105159 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.040314193942543 504.463276663107 8.1497553079147 2.142429251828782 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040088087883408 635.0129099116224 8.737401528675445 2.477456141332914 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.039998330946849 589.0815426684012 8.777826575071716 2.227202613130876 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.039776604792893 324.1288550988275 5.951947424313828 1.937333386828852 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.039405533284595 366.7086405983945 6.382688934911296 2.004695545231137 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.037834241323827 140.5654058386108 2.659917513393465 1.880825737982715 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A Val-B_2 1.039222768334193 294.1340049337592 4.743053201080948 2.19006849848204 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A Val-B_2 1.040346354519526 341.7290889391591 6.17864964257367 1.951582449234057 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A Val-B_2 1.040130244685786 369.1529003007893 6.572261175113281 2.00324926538476 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.073915866206216 989.8082991694216 6.023713210479968 6.162208176724754 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.065165482673667 366.4759015117465 4.361822691642716 3.03967097458274 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.065609006740839 296.8338593840861 3.756331177070956 2.913406807140173 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.065224846544172 169.8674046254968 1.755897619708094 3.375528838006562 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.065674249611282 306.9580340649089 4.03092086744373 2.811049823041775 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.065709462849258 455.4338669646226 5.099818021426574 3.279102769933053 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.074372249293862 805.1460884967124 4.884879815125888 6.522916017965084 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.07396608208462 1106.412542478111 7.134904395563493 6.247830830188347 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.065499354151039 113.4481855186646 1.582494114112341 2.642912811997488 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.065718883467865 248.262831268835 3.048833707674643 2.924662617056876 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.06526444139817 321.149905180763 3.824185330417568 3.050799364113326 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.063077590070193 170.7808706914577 2.115130759704069 2.976826814404083 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_1 5.073941813408517 418.9829628463194 3.284772795468319 4.731051633555762 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_1 5.074759048458115 1140.010349287876 5.407261011365432 7.477077060793582 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_1 5.074506846094163 1446.515779335814 7.281392484983592 7.012984969066793 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_2 5.081849424523268 2120.921990852886 8.756369657442766 8.571621925842367 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.073694345325377 2266.627171732618 15.54699188929315 5.735999479809657 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_2 5.074474365885009 2617.479783261471 16.25002547081981 6.094117336579039 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_2 5.074259831417076 1570.4586083662 9.73169644994639 6.05313975150711 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.07477682915531 3230.378223535688 19.37144798068665 6.386488159348209 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_2 5.074317267286379 3101.599420116265 20.28174903650338 5.904859323339045 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_2 5.081815150243792 2036.159699361779 8.787522311878268 8.455313713796306 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.081793295608806 2262.183177981003 10.99006452660669 7.820514789682018 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_2 5.071561894234618 601.5321974874219 4.938650105405825 4.30447957513505 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.074565598352089 2403.29265800784 15.05410270186522 5.857941565453702 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.073808096977012 2587.746290555147 16.73737759747214 5.882702095259524 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_2 5.071924318253703 1569.759375014522 9.370845014906342 6.404079092361282 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_2 5.080728452298338 2031.381583666147 7.198963090539496 9.62351598632121 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_2 5.08238796577009 1496.729223137592 6.555202865169396 7.914011906782141 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_2 5.082332680082048 1810.838731344015 8.374285686761546 7.816386267764718 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_3 5.090845992479784 61.70917036028415 0.96625612151031 2.288769017234685 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_3 5.081585569501582 5711.991111703785 24.46326446290846 8.48587250964938 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_3 5.082132362682059 5137.268239024095 22.51681419713671 8.179973418322 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_3 5.081658925380719 3517.891784981681 14.39757986673328 8.36032348190455 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_3 5.082602461360705 5091.936173424213 24.00755936588635 7.763954235711537 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_3 5.082273724184843 5543.415663612637 26.95520421447429 7.512093546259226 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_3 5.091359545324265 45.19819061285353 0.93632349560228 1.880939973507013 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_3 5.075706988736663 1133.273251363306 9.03451198269942 4.315580183716991 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_3 5.082040586906126 6206.561259255152 24.63735884056703 8.83356674874196 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_3 5.081692846367402 4945.559215374035 23.02423094742325 7.861178438287197 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_3 5.079950285580947 1939.703864948054 10.36179363747324 7.190354432616959 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_3 5.091472851060603 67.83184547188293 1.022083884194334 2.32663543395858 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_3 5.091304057867456 81.48980740726832 1.384023078611519 2.198848054386432 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_4 5.090777308741798 181.301463484259 2.895791597426422 2.30004026471636 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_4 5.091229356263316 171.3073480699873 2.80313002853512 2.28211313655609 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_4 5.090658249663394 162.1657918721226 1.729614687547509 3.186083349203969 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_4 5.091316875774814 277.7986380365605 3.841786137583314 2.649910714073981 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_4 5.091169629913585 567.6868985776423 5.519374773756995 3.584168759094533 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_4 5.081795499048592 2255.136324781976 13.91348080904293 6.097876151697027 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_4 5.091303494775379 116.905726921386 2.179804227451269 2.054195888687032 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-A_4 5.090798901842565 227.8829603957606 3.08796204094637 2.643160724116486 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-A_4 5.088599751679386 191.396500387015 2.206212847048795 3.135664095284275 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-A_5 5.090842364093491 423.626840031159 3.189859910576105 4.489923495807522 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.362872113608023 6482.072773021573 14.67281905842298 17.339313271522 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.347029879746613 312.0890295632191 3.554999085446596 3.330916990895691 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.347297285654668 370.4925555947962 3.855613742486616 3.553094309326811 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_1 5.346924586205195 2902.769554487267 7.1294099959097 13.06437562437125 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.347908280628167 308.9035834381517 3.807222887330945 2.991342976621743 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.347718501883486 438.9193006329449 4.383108847491707 3.59028576001588 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_1 5.358888022194328 2479.548863749375 9.714845674645764 8.755407241111023 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.359154125480772 3756.745233498292 13.61003616195641 9.66940770354329 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.35414853112069 534.6954436277737 4.079286076673336 4.440673972474952 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.34773107113656 228.7344785830537 2.855676283435665 2.953073289963808 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.347456268304248 292.915701749901 3.406861588303641 3.23702621106078 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.344849966806344 194.4026996472298 1.945867787125043 3.474238969023071 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_1 5.358344409016801 2305.412916201666 8.047328243571783 10.01013998799465 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_1 5.358852366932747 2321.066172479419 8.57115460808755 9.344346224423198 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_1 5.358668582049583 3244.013149283131 11.0505575456452 9.850671142156049 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_2 5.358191152159963 8888.292812474538 30.57501825746084 9.814228134765596 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.359004076403306 8734.621047507053 30.47409891417314 9.979866077112954 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_2 5.357874152183235 2635.523962344726 12.90987252614994 7.059126049884673 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_2 5.358693748724555 7337.422628644496 30.46887582644259 8.503849619837066 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.358377927764392 7781.807309565513 30.53875515739912 8.76402431411019 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_2 5.3672743515765 1142.734555250377 6.615944870462733 6.902947621487823 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_2 5.367996579815594 1300.214880423758 7.385148503367916 6.475350019645658 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.358233128086375 596.1953156307173 5.494548053388685 3.786060459292112 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_2 5.358599956071723 7730.778617312543 28.26895354348861 9.34870643925272 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_2 5.358178897564756 6737.021319855339 27.78721138435682 8.566331512696612 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.355810017321661 4961.4556548481 16.4370985449826 10.21875059762352 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_2 5.367333150100732 692.9774110662789 4.404341188797003 5.489958793261138 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_2 5.368135532110753 1131.179694839873 5.580251429628639 7.212936766317934 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_2 5.367779101447385 1561.75021071856 7.275471470078211 7.489992668669849 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_3 5.366686521468797 2259.262567613813 15.37992309412528 5.508848998919865 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_3 5.3672743515765 1704.230288777833 12.92706476443715 4.856080618716933 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_3 5.363761111562864 1935.04115927036 10.00499653583651 6.474695139219061 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_3 5.366925922847178 2469.401571235036 17.76824684392827 5.391303773884603 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_3 5.367704688999476 4033.757493149998 21.44099543083954 7.580571841360372 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_3 5.363320156157932 4253.014994101876 15.97190411190082 9.29118657173906 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_3 5.367003394163368 2856.109563314142 16.88920924018877 6.229234397139849 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_3 5.366649192722042 2530.629953758074 16.75993702199758 5.723879268272283 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_3 5.364420278501103 1029.848910440264 6.603902503373766 5.912329983445761 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_4 5.373075974530366 965.2776181497593 5.751569600434246 5.327484511718461 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_4 5.372940065038961 1359.379181430366 7.031202397733824 6.234784519285522 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_4 5.367802821953838 1270.68353567089 8.20124322272487 5.265079840538034 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_4 5.373355948984625 1052.793856946988 6.640948615733908 5.068673224533313 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_4 5.368553706229314 736.2585357589627 5.62514019078388 4.452524819135507 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_4 5.373738372919816 718.8511038839835 4.576118411196723 4.833584623590215 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_4 5.373175242306709 452.8302394220094 4.305937369436498 3.669049294541048 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc 13C-B_4 5.370493567117378 279.646471326682 1.911626434304248 4.884936600605848 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc 13C-B_5 5.373393628106402 782.9955007666185 5.184792194377124 5.170542268155434 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc 13C-B_6 5.378732383714646 105.5195398729064 1.710217035659073 2.336355757102419 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.219863577369201 1575.84523239386 20.59178176017405 2.78989426018714 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.22005585567367 2937.131188697066 36.77097123522244 2.863814197027366 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.220504628964648 3727.54423508894 45.48010720247994 2.938515054967122 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.219515083232613 4280.85084880201 50.6452202482138 2.950890024464115 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220534184884522 3644.995785044976 44.54006140252541 2.934085822401134 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.220622355246895 3925.987703233789 45.64380558496057 3.014487781745148 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.220425085539098 1575.836820826374 19.98091067174463 2.844475764192875 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220234757736788 1803.658711434046 24.38935936644659 2.692445706278441 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.220057184027698 2384.440814203514 32.90192613203999 2.662270696456051 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220300750362417 2974.864619124517 35.29831162057599 2.999074676663515 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.219945478954408 4639.536521657021 54.28801085984158 2.981958739804999 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.217978117038165 1231.667627238247 14.6189932118829 3.020665644067709 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_1 5.219420542607412 1700.362717562581 24.34871257400311 2.578678922763654 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_1 5.220681067433822 1619.19265271295 22.69628120108855 2.663713941126396 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_1 5.220382785609631 2053.192554941736 29.51240335976201 2.57896370959662 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.226151473142587 1966.637721214398 21.19432841955413 3.240801035035008 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226311548113072 3369.438155008975 36.3876567050737 3.230980687249298 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226728104717369 4100.885496581194 44.65144152162792 3.210986405811246 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.225754583750516 4510.315435689014 50.08818242728447 3.145527155168434 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226760883118724 4250.671251893254 43.81627114745946 3.362211010948232 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226862371276274 3915.960770958386 43.1857019979927 3.178914388022156 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.226399125999 1890.500666039393 20.24578750033422 3.224176205426958 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226211490674884 2219.568725040531 24.95646986734696 3.078841046858387 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226044238230108 3305.702358670194 35.1418112127736 3.218498746491719 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226391422147654 3158.241505629304 34.59510826653261 3.236196637556126 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226216714026829 4730.193066075564 52.31745804446479 3.183237640922949 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.224170197658704 1465.610159201491 14.48542540326955 3.530353337670836 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A aGlc_2 5.225678242339247 2146.320948986144 25.18026795270655 2.974166507085646 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A aGlc_2 5.226964509221995 1963.687264092121 23.06246175385251 3.052764157260392 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A aGlc_2 5.226669957211953 2608.448851322545 30.76778827107704 2.965724432941587 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.492751842040954 1527.241292646554 15.15668409692664 4.001057891095999 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.492584305603915 3907.303260106269 40.99907582857558 3.746289226316254 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.493140622792303 4168.601967241388 42.64716637314145 3.761161609336409 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.492479461130687 1778.686962643393 18.49527356290829 3.826260290839987 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.493216823920546 3809.058950160069 42.52179303651301 3.716974412661168 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.49302416214697 3511.280320590436 36.8311546768402 3.863185258235489 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.493715910395485 1926.609202403331 18.74781369981231 3.831507062174091 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.493529481265516 2660.305601119964 25.70873052775458 3.854470988610608 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.49339371661787 2908.218663303732 29.91340654319573 3.718005902183747 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.493026368272275 3200.468382827997 35.89845425349144 3.633138306642857 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.492715454749444 3742.03604637048 39.40467915684054 3.749567275198532 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.49048462818604 2228.246514904622 21.30866224659763 3.967636260994289 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_1 4.492636462606801 1750.128178532346 15.36459116731098 4.146611077531575 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_1 4.493631799820904 2176.640263756445 17.67708100146013 4.415842649328437 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_1 4.493486678060536 2636.799501459156 22.79534041552535 4.235549290072311 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.505547829876986 3092.667119467301 26.66162640848843 4.255713403440065 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.505465897062348 7649.466362396289 68.55343200299211 4.13504376207425 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.505946104039782 7480.064632998786 67.44508444142575 4.125676684518629 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.505391567829144 4973.453574920039 41.81601822208431 4.307359060497077 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.506121665819902 8473.298922940172 76.34908534797356 4.057827072335775 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.506021451237788 8901.517329376333 76.75743103155017 4.275581382804789 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.506275840317197 2916.667695070378 28.05505024177911 3.602569428750082 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.506179005053671 4028.677466629963 36.81773766816652 3.883498401075007 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.506065030755961 5902.444135487853 46.00171654194171 4.360186823561549 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.506035063448992 7650.095973799268 69.77683812125179 4.01890034646202 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.505582187112164 7800.142517876457 67.49140090887406 4.25147462636602 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.503475791137153 3719.027726045255 31.95172881159996 4.291277715570056 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_2 4.505140380646354 2161.511650034605 20.63923337411825 3.632127857389532 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_2 4.506199762589641 2410.770198508331 23.40012210897743 3.518016259876066 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_2 4.506017559616203 3318.077739570882 30.6646963965007 3.738555073531085 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.519573896534975 991.4845061448683 8.681554930929144 4.197266369201772 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.519453935988446 2653.46824978264 23.93058153903825 4.05906848629133 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.520014641257193 2232.159579055122 20.48032219502342 4.003819103270096 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.51919939234459 2141.994331385791 18.59963260400064 4.171228003308149 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.52006603244695 2907.183309493601 26.66954277023347 3.99749463329958 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.519839950901841 3739.194862174471 34.28680438475917 4.020709123380212 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.520570078698828 536.6069394652121 4.771638528136174 4.016478121082033 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.52039132548538 593.7087261302652 5.308368476199827 4.009950064851412 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.520010449013858 1137.870479279371 9.131696097017512 4.388275775311657 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.519889486582655 3243.043160706375 28.62148578004679 4.12582026357769 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.519604644806146 2330.423068431684 23.34291967620754 3.781811944371185 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.517599121154517 1154.573937418616 10.47090270289002 3.993815012910478 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_3 4.519476981375953 300.4618563895904 2.927087367741237 3.784471399483921 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-A_3 4.520505916820799 400.7481381697425 3.643493747003475 4.055132522195163 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-A_3 4.520177463177344 426.0195625354264 3.839262106502965 3.978399333612612 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-A_4 4.531067324372941 66.36345268990446 0.8210566137132096 2.705770919242858 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.761180181253702 1950.469038863665 18.59978421358756 4.001996537920615 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.75893923116032 965.1850082611886 13.98102977784058 2.498922183702915 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.762117830031782 3968.958660939224 44.24447414473246 3.216208027201477 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.761476336549179 1531.79445908291 18.8472295353855 2.853840664015974 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.761859823676494 5737.703505292708 48.54843647698755 4.096846378012933 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.761659273375415 6277.606121135722 45.48129503929007 4.637217781678523 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.762453468000512 1893.379429989771 21.95505460903034 3.01885393808472 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.762286230839459 2661.096982041172 29.22737838437647 3.196226701622049 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.753377025773951 285.3256048413256 4.821377994498496 2.062070282230255 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.761635004733285 4370.201028013475 41.04539665574604 3.76932546440555 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.761556762286068 4172.00266375813 45.0227629620811 3.268583658024899 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.759327572973125 5057.257392467154 33.99733098752903 4.78813437671579 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_1 4.7612 2229.781656 21.041487 3.809885 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_1 4.75999 483.715202 6.934618 2.424437 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_1 4.75991 565.481362 8.663386 2.37563 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.774674646322219 2771.194282279491 21.28030978696557 4.543808187777329 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.761596513171517 4080.785518190115 42.6309165058203 3.378507999902578 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.775127525958807 7042.336749106948 59.98207742463119 4.2523201886821 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.77465814846568 4276.273611447861 33.98625560625692 4.426828253545194 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.775356545495202 7359.976710455713 64.71239393977542 4.158924117159549 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.775176894042479 7354.018206207008 68.2921357077235 4.0768646839386 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.775592338657179 2380.137482467681 21.2177448629824 4.067764685271682 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.768992102207926 1106.709505367004 13.18413742142941 2.980372202381832 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.761954336137787 3959.56429102835 38.80807716555695 3.609253356603273 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.775236923048184 6552.602856087729 59.34553419869974 4.075222990173542 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.774809805968803 7127.79401580091 57.48427299675124 4.366605140643801 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.771508260566449 7670.395234852253 61.34520623129173 4.247047513862204 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_2 4.76845 485.772668 7.598026 2.356577 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_2 4.76262 1930.383145 19.794575 3.420108 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_2 4.76249 2334.282678 23.937784 3.415391 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.788795585287223 797.195614503792 7.422257566829389 3.936532691722217 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.774668126274462 7345.74638923713 60.69151260281174 4.358203473059271 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.789024856192038 2052.072568182883 17.44517557078689 4.187628510410589 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.788419795566004 1588.055082780704 15.17246178348526 3.854599467131231 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.789257469688185 2677.487128847404 24.00265626274397 4.040397883447528 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.789070189078223 3448.494560359041 30.36245018578505 4.118021620936478 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.775368359885594 2884.978758392142 28.03898001886871 3.830388784932803 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.775219272549846 3769.941846693239 35.63318170167496 3.900601786814005 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.78912064722886 2588.236713090137 24.32967307360733 3.934710142284338 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.788804905439189 2118.959999049245 20.0667174452377 3.858313223896773 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.786011255731815 3689.289963881562 35.26808371011604 3.61156684928037 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_3 4.77435 1694.380314 16.150228 3.91953 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc 13C-B_3 4.76919 641.448225 7.057173 3.110232 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_3 4.769 598.88069 7.171024 2.927303 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc 13C-B_4 4.788682411663729 2117.272832867196 20.01321930265695 3.886350913770761 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_4 4.7753 2300.379943 18.326711 4.450321 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc 13C-B_4 4.77506 2788.630086 25.838169 3.869508 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.630021123646136 1500.384423552316 25.57720616347034 2.103178030505576 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.629824657264798 2530.970825015567 42.2093037720903 2.134175132132265 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.630355478407877 3271.936317483038 56.3323914290542 2.089786418467806 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.629672255172493 3491.140759262019 63.07070953700484 1.931392782384245 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.630374323786826 3481.675364967103 57.04995822438345 2.161056004238137 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.630304787129095 2275.23354117507 36.36620924148261 2.221758529909842 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.630749118453594 2537.166834386807 42.0128265053301 2.206789762929694 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.630630193415851 3043.067710994785 52.12902192855173 2.143156321464197 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.630464656057374 3803.469181695298 66.85039225964441 2.082737012842102 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.630247850675612 3048.619504939122 51.28395491817002 2.134952938744163 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.629949040460045 4054.137802385912 72.00892347935806 2.027928144083099 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.627814600440014 1430.43227929772 21.89408184353355 2.279667596197666 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_1 4.629807031595391 2254.195521747718 41.08491643008091 1.949913214821571 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_1 4.630856091486965 1827.355259711751 32.07368336424812 1.987948418544029 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_1 4.6307133246608 2520.563387207627 44.49994688752824 1.996473446937482 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_2 4.643597047049422 3018.288578521087 44.07693190524013 2.481991337353516 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.643541104253693 5548.390821085021 81.3169306784659 2.521207962914124 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_2 4.644045426039408 6963.526129570094 103.9732289189163 2.466011846964811 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_2 4.643254607222659 7539.149814836976 112.0844725437155 2.411590225396118 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.644073442835826 6829.765325584792 102.6398051441169 2.453248427881613 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_2 4.644047048767789 6537.228797411826 93.16416071320165 2.626852338632998 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_2 4.644228812256687 3487.502025479872 53.58021141457812 2.3825634973533 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.644031764521171 4124.251877290874 65.53286804194805 2.272021892441982 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_2 4.643887959634423 5595.409650463002 87.76997107956241 2.281305757266266 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.643847172928176 5766.148627282992 85.2706822174213 2.493088305989756 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.643603221107494 8036.535429427119 123.8433311425727 2.411590225396118 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_2 4.641568579068656 2754.882737167859 37.42758735391785 2.638990815916948 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_2 4.643313341926675 3445.843235196251 57.84232895225536 2.151823997852696 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_2 4.644502208255824 3138.60478541069 51.04925067548164 2.266724963934392 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_2 4.644216840279977 4217.617106007384 66.81946598938181 2.25501049723126 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_3 4.657450977838419 1664.059795514311 21.19053245499657 2.775763199070907 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.657387946010234 3145.548276116867 45.66686155583933 2.411590225396118 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_3 4.6579 3886.033914 55.524527 2.47491 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_3 4.657080006985728 4148.501717259531 54.76639174286758 2.67007155050226 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.657906860092152 3655.38141474367 55.26094042850728 2.356781356637115 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_3 4.657690239463126 4518.070501931362 62.71910845913165 2.630825700432129 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_3 4.658256051018818 1078.103493220436 14.8482424928275 2.6032267330607 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.658064667670369 1163.774369548982 15.85312549553847 2.615315792419503 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_3 4.657719044011166 1872.755632254486 24.02053443448786 2.795278215162665 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.657748296114939 2889.626566170315 40.68608000787184 2.521207962914124 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.657445929661373 4102.313814476656 62.65550553836495 2.356781356637115 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_3 4.655449840018824 1677.684423772912 21.5118242366995 2.685634569191131 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A bGlc_3 4.65728506072259 1270.705012618221 19.9601891485791 2.287190145591419 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A bGlc_3 4.658385551216358 1480.502129840789 23.16214353631345 2.291695340352084 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A bGlc_3 4.658061586831439 1710.782310088437 25.73446758015636 2.417436235912373 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_1 3.511618658924877 455.7563685450598 7.726941152780658 2.076930817370171 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51143 774.90053 13.144914 2.07154 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_1 3.51194 1135.697349 18.216247 2.175378 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_1 3.51126 859.110875 16.759133 1.788663 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51196 1027.445762 16.798575 2.134113 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_1 3.51192 565.976198 10.491609 1.934117 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_1 3.51246 886.156878 12.422351 2.394829 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51228 1106.904693 16.810049 2.27255 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_1 3.51212 1495.717298 21.710378 2.356119 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51185 907.530998 15.216167 2.091263 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51156 1116.905034 20.340273 1.924337 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_1 3.50939 599.424376 9.521952 2.200514 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_1 3.51138 717.510277 12.618148 1.970471 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_1 3.51239 537.634054 9.831309 1.921136 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_1 3.51228 931.583324 14.754989 2.159817 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_2 3.517845022089174 531.1405881350911 8.214025645619595 2.290255688612729 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.5177 1256.262102 15.638499 2.717993 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_2 3.51815 1335.924156 18.815583 2.477394 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_2 3.51749 1032.371839 17.695217 2.016566 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.51817 1318.674169 17.947191 2.528308 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_2 3.51811 1016.365448 13.564362 2.695347 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_2 3.51854 741.069975 11.280896 2.391519 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.51833 1071.343948 15.386431 2.454103 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_2 3.5182 1474.794525 20.849614 2.486224 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.51803 1222.574517 16.861225 2.52998 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.51776 1255.468159 20.71321 2.134349 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_2 3.5157 677.096763 9.31697 2.948983 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_2 3.51758 676.038398 11.962808 2.057619 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_2 3.51865 558.475231 9.568852 2.080406 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_2 3.51849 786.005622 13.809372 2.121549 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_3 3.528239914845812 919.7736758321494 10.21785107950827 2.907193373459493 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.52811 948.75452 13.413378 2.41159 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_3 3.52857 1287.599481 19.056682 2.356781 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_3 3.52775 1739.155813 22.727299 2.41159 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.52883 1775.364599 20.566667 3.094926 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_3 3.52866 1778.546712 17.328786 3.413603 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_3 3.52888 606.534512 10.440328 2.034832 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.52875 1050.269536 16.038146 2.284955 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_3 3.52871 1613.988015 22.009674 2.55869 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.52835 1247.173272 17.80076 2.422778 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.5281 1965.743994 24.667045 2.492733 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_3 3.5257 457.404838 7.07789 2.231515 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_3 3.5279 717.270316 12.683585 1.96864 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_3 3.52884 443.683662 9.097135 1.748408 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_3 3.52881 805.319023 14.19584 1.995806 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_4 3.534226726463261 787.5864858855399 10.52934962321163 2.527674836320116 01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.53399 2817.735389 23.717127 3.65566 02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_4 3.53452 3185.320868 28.69051 3.416194 03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_4 3.53392 3421.421574 32.012495 3.288628 04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.5346 4528.927157 34.69379 4.071684 05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_4 3.53451 6475.299866 37.510715 5.311683 06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_4 3.53501 750.83568 12.315369 2.168271 07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.53476 1133.600667 16.750793 2.304645 08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_4 3.53465 1713.997039 23.941731 2.432774 09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.53444 7232.003454 40.584334 5.647674 10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.53419 3500.370397 33.9699 3.170643 11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_4 3.53211 1208.465334 11.180472 3.473706 12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A m-Ins-1,3_4 3.53396 636.874095 12.158914 1.827636 13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A m-Ins-1,3_4 3.53503 528.914069 10.051729 1.866445 14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A m-Ins-1,3_4 3.53487 764.848078 13.779197 1.95219 15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A EXTENDED_NMR_METABOLITE_DATA_END #END