#METABOLOMICS WORKBENCH huntermoseley_20200822_092723 DATATRACK_ID:2149 STUDY_ID:ST001466 ANALYSIS_ID:AN002441 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 26, 2020, 5:50 pm
#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                   	Spleen - NMR HSQC
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           	-	09_C2-0_Spleen_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_Spleen_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage9']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7538; weight%units=g; lineage_4=09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	10_B1-0_Spleen_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_Spleen_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage10']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7457; weight%units=g; lineage_4=10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	15_C1-20_Spleen_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_Spleen_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage15']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.6794; weight%units=g; lineage_4=15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	08_C1-2_Spleen_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_Spleen_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage8']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8232999999999999; weight%units=g; lineage_4=08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	03_A2_Spleen_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_Spleen_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage3']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8131000000000002; weight%units=g; lineage_4=03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	05_B1_Spleen_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_Spleen_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage5']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8440000000000001; weight%units=g; lineage_4=05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	11_B1-1_Spleen_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_Spleen_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage11']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7434; weight%units=g; lineage_4=11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	02_A1_Spleen_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_Spleen_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage2']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8049000000000002; weight%units=g; lineage_4=02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	07_C1-1_Spleen_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_Spleen_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage7']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7766999999999997; weight%units=g; lineage_4=07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	06_B2_Spleen_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_Spleen_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage6']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8069000000000002; weight%units=g; lineage_4=06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	14_C1-2_Spleen_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_Spleen_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage14']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3402; weight%units=g; lineage_4=14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	04_B0_Spleen_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_Spleen_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage4']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7723999999999998; weight%units=g; lineage_4=04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	12_B1-2_Spleen_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_Spleen_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage12']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.7406; weight%units=g; lineage_4=12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	13_C1-1_Spleen_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_Spleen_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage13']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3022; weight%units=g; lineage_4=13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	01_A0_Spleen_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_Spleen_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage1']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.8091999999999997; weight%units=g; lineage_4=01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=-; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_spleen_gHSQCAD_01.fid/fid
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:SAMPLE_TYPE                   	Multiple tissues
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest. Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest. Mouse with syngenic bone marrow transplant. Fed
TR:TREATMENT_SUMMARY             	with semi-liquid diet supplemented with fully labeled glucose for 24 hours
TR:TREATMENT_SUMMARY             	before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic naive syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen tissue is ground in a SPEX grinder under liquid nitrogen to homogenize
SP:SAMPLEPREP_SUMMARY            	the sample. Polar extraction from homogenate, lypholized, and frozen. Tissue is
SP:SAMPLEPREP_SUMMARY            	frozen in liquid nitrogen to stop metabolic processes. Protein extraction and
SP:SAMPLEPREP_SUMMARY            	quantification.
SP:SAMPLEPREP_PROTOCOL_ID        	polar_extraction; frozen_tissue_grind; tissue_quench; 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           	HC-HSQC
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                	gHSQCAD
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	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Factors	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:allogenic	Treatment Protocol:naive	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:naive
AXP-1'_1	43.30035980919269	264.811117523062	305.4856252594037	8.31266	96.26265016228704	74.63821187891017	133.8061470592733	86.48388328026059	74.42772318053561	190.1369416442861	264.242151302088	116.1807173752516	137.4699322807987	160.6103762743887	45.79342025797174
AXP-2_1	3.289557	44.38993554781844	116.9778719133281	0.733214	2.946249	12.06420723217096	28.19169551365748	3.324198	10.93422	30.55557245730884	92.19674174295989	11.597999	24.31315459159563	59.64832783371462	2.849423
AXP-8_1	0.290052	0.355764	53.30121168918659	1.335498	0.378145	0.850915	0.336977	0.347251	0.397714	0.358567	25.306891	0.338414	0.320839	0.360402	0.320377
Ace-2_1		27.24307038080028	41.65328974948655				9.442118288272832		15.14233337605246	21.03330568574635	29.41778457704474	11.38025940049467	16.22671737181707	22.84950121981898	
Ala-3_1	9.238230333333332	73.09062191528871	187.044259615741	2.744969666666667	36.44873645568463	23.5838137551188	38.52205104619467	33.75409439264273	28.84825637216088	76.62790119322428	170.2277000998608	42.83834702482497	70.32161267882837	77.93359676916195	25.51520322913744
Ala-3_2	11.10174266666667	55.31642291575017	152.2975463825626	2.523432333333333	23.42288277982652	21.33052056476641	34.18130375838182	29.78201835758398	47.35819895812147	123.8600706601058	129.4444116505554	27.55543353176106	46.95079977272129	76.88914728296824	
Asp-3a_1	5.332393	41.61730493936282	125.2065661396575		45.07134674846114	11.107255	32.22864489958108	18.513172	10.7108	68.30912757948848	120.8396158652815	53.30524466350515	28.314254	67.32388772037778	24.955227
Asp-3a_2	6.663481	28.1326228502759	79.53441538042571		29.63004059039303	11.377641	23.01169043312481	20.359497	18.524597	61.77834874310633	77.87106336408561	30.46126543170628	33.457427	54.15599708212521	7.197733
Asp-3a_3	5.946258	42.78112025455265	147.0514892670363		43.06519544452912	21.872259	36.15704678768813	18.128164	13.366912	85.22983213891023	139.6454301730982	47.03232969985041	9.848855	65.83164075523003	13.925015
Asp-3a_4	10.605069	36.3090803905299	92.0746339267511		29.97398375571726	16.911309	28.79826246944847	31.084707	29.680792	73.69181671972434	99.18013454461682	48.49762991098264	25.563529	60.64729641911666	6.464008
Asp-3b_1	17.55324978876997	81.29294451880371	240.0104262049578		87.76748553407337	39.37753514729673	56.03749284125491	52.2806522308469	44.43327238916301	130.5514679648061	235.9937135061004	97.75237077040738	59.08274151018466	128.5911637578879	27.02938013837685
Asp-3b_2	19.87838145428877	50.87403082599418	172.1017903220361		52.08116555484613	34.91850861464518	48.63536337891019	44.48533519180938	40.41815656300137	120.0158069919051	160.8984130746558	69.0159156014233	42.57838290912783	93.74437082969969	25.31503459370405
DSS_1	4.048137691079045	3.146288275471876	4.239427608301581	3.41621659056967	4.651543791369178	3.404140698716514	3.620065711222273	4.072582444349746	3.4963823266406	3.699240993098655	4.094154664460683	3.670908366190657	3.629973043633947	4.262150585355587	2.71213135925789
GSH+GSSG-3_1		56.66819185433668	117.1190313771457			21.62992	100.8120655	73.942589		78.3365611218772	147.7361566698154	44.77072530919591		206.0654894990105	
GSH+GSSG-3_2			60.5644425721975												
GSH+GSSG-4_1	3.11645725	60.12430937631013	34.64272965851455			19.62724609240739	37.90344578293513	8.1969845	14.831192	49.12039153313106	90.11962164703303	27.7858264522673	21.68546394378807	47.64134752622166	7.73667675
GSH+GSSG-4_2			45.60714926161712												
GSH-8_1											47.07889907488477				
GSSG-12_1		76.18933488872689	100.5809127601863				57.85752297168496				103.640663365579			68.37986767895143	
Gln+Glu-2_1	50.13801900000001	370.53678	18.440166		124.307512	74.42312	138.0283486666667	92.589111	125.1385913333333	227.2824066666667	42.07182066666667	138.5224016666667	86.98536933333332	287.2453083333333	46.49874
Gln+Glu-2_2		7.517161333333333	277.9125426666666							25.301037	206.8848333333333				
Gln+Glu-2_3			111.4131936666667								104.7054533333333				
Gln+Glu-2_4											54.50101733333333				
Gln-4_1										30.00295826107572	18.14561688854901				
Gln-4_2											11.95123126277259				
Glu-3-a_1	82.99772006757767	445.7499920078165	93.87123748809799		253.7333182117619	180.1358468690186	492.4447391053826	213.6787507122189	144.2910156572232	80.10741877730503	90.03983588688193	174.1797745150545	286.3539245746412	74.98721013302638	108.8569089646088
Glu-3-a_2			196.9672473253042							92.54678846160246	175.5900679756735	61.4996849924618		116.5910138259492	
Glu-3-a_3			184.9779886964542							133.4387257318932	190.1537140576888	31.42542184764878		113.3289942926478	
Glu-3-a_4			146.5574700169495							76.6247547376434	144.1320745576087			174.2688737020634	
Glu-3-a_5			1352.610908300014							200.3859002685867	1483.232171221974				
Glu-3-b_1	127.781755681675	213.1745801658234	358.4064815361867		341.9097400234457	212.39343	363.700129	181.585732	365.2109523998902	278.2126021789539	362.8913083149645	454.5589993006345	367.6166077584306	385.0643029848577	133.0858748886714
Glu-3-b_2		342.7124094689245	322.3951074092382							338.9440991631351	366.7252892397043			68.74331899397804	
Glu-4_1	44.60584576981277	116.1170110294308	722.816066631982		151.6620465895114	65.00278831013229	94.42199098685683	115.2090736101344	70.75446739329251	398.8362283288064	620.4078438509478	153.9636742807743	135.2171467748926	318.3624893004074	50.42246509686699
Gly_1	11.07972955451874	70.3756799651446	82.7648211928736		28.01646390822803	15.03578778342307	39.7101196894579	25.44473313517074	22.29039459391184	55.0866418578272	73.9937533733579	28.31154127754727	28.36262069084885	55.05543884029475	13.03221235953754
Glycogen_1	8.326369	93.09087052040788	35.731561	5.85948		0.417041	0.295709	0.922573	11.704233	6.850636	37.239229				
Lac-2_1	38.605716	115.238623	150.961061		80.519925	3.844191	49.132178	58.650942	43.033189	79.316656	183.440995	36.186305	63.051765	83.276079	29.195453
Lac-2_2	35.335832	133.875096	199.516186			144.621688	74.210276	65.546979	82.176026	128.082679	184.188252	41.536367	72.86464	118.457125	30.613261
Lac-3_1	46.48641620432544	338.8350435178018	660.7085617515979	16.55977233333333	155.1115663835291	98.70687014320332	172.5535169721271	116.8382803450431	132.3306254716161	286.8080881037279	495.834217591435	154.5240487767464	247.6452862255387	349.665596542691	85.18377828953957
Lac-3_2	46.84359456664414	266.1565208310965	435.457668601025	19.29803266666667	84.56818458226284	94.84860699449264	131.6786328862596	102.4829368085483	245.0885774557095	286.7220460928339	372.6342912078994	76.03103756183593	141.197480155217	258.2106810020677	33.81293741126469
NAD+-A1'_1	3.384189	3.288207		1.916462		1.601879	3.719692		11.610896		14.717706		3.304297		
NAD+-N1'_1	3.957233	74.00636146435203	95.10363296157286	0.768036	42.60580990616699	10.214372	26.1484564484964	18.561374	16.768076	75.69225080559839	88.04073382589753	42.37962050843062	19.445759	68.03664952777724	3.580427
Succinate-2,3_1	3.20290325	10.36743806476383	21.50581047814261		6.25549263891505	3.561910264246425	4.694904887035067	6.115780550491689	5.16501325342293	20.04321804205665	18.93846192958107	7.716105128351188	6.392043813576626	13.0816114259595	4.79665575
UXP-1'_1	10.156729	75.27095676947697	150.63960484512	3.86502	12.716928	19.935377	27.338505	18.637995	43.715315	87.04239590843692	131.3683169582341	37.57629676411187	41.08240610001231	76.45280457706527	5.854171
aGlc_1	3.713094285714286	193.9547164963685	61.75496571428572	9.309988571428573	67.64782857142858	10.70168285714286	72.67973142857144	62.67406285714286	68.9869742857143	148.9307657142857	76.99847714285714	50.9076	32.75374571428571		0.27206
aGlc_2	4.027025714285714			5.098737142857144											
bGlc_1	17.27638307692308	145.7098923076923	249.4317507692308		53.33707076923077	72.28307538461537	130.7133630769231	63.4487323076923	45.45720307692307	179.6965476923077	101.73198	79.12420923076924	66.82378307692308	101.73198	18.22338461538461
bGlc_2	12.41298307692308	80.31500307692308			5.419572307692308	2.110607692307692		36.14831692307692	56.57687076923077	76.93075692307693		4.426146153846154			
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'_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']	['[1H31:13C10]HResonance + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:1H38]J3HH']		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_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/i2+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/i2+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/i2+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H26:13C2]Hresonance', ' [1H30:13C2]Hresonance', ' [1H34:13C2]Hresonance']		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_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/i3+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/i3+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/i3+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H27:13C3]Hresonance', ' [1H31:13C3]Hresonance', ' [1H35:13C3]Hresonance']		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
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/i1+1H3/fC2H3O2/q-1	['[1H5', '1H6', '1H7:13C1]HResonance']		3	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	1	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/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		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/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
Asp-3a_1	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	1	integer
Asp-3a_2	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	2	integer
Asp-3a_3	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	3	integer
Asp-3a_4	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	4	integer
Asp-3b_1	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	1	integer
Asp-3b_2	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/i1+1H2,2H/fC4H6NO4/h5H/q-1	['[1H10', '1H11:13C1]HResonance + [1H10:1H11]J2HH + [1H10', '1H11:1H12]J3HH']		1	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h5H/q-1	2	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/i1+1H3,2+1H3,3+1H3,4D2,5D2,6D2/fC6H15O3SSi/q-1	['[1H12', '1H13', '1H14:13C1+1H15', '1H16', '1H17:13C2+1H18', '1H19', '1H20:13C3]Hresonance']		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
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/i1+1H2,2H2,5H/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/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		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/i1+1H2,2H2,5H/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/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		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-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/i1H2,2+1H2/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/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		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_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/i1H2,2+1H2/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/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		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-8_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/i4H2,6+1H/fC10H16N3O6S/h11-13H/q-1	['[1H30:13C6]HResonance + [1H30:1H27', '1H28]J3HH']		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
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/i7H2,8H2,11+1H,12+1H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	['[1H59:13C11+1H60:13C12]HResonance + [1H59:1H53', '1H54]J3HH + [1H60:1H55', '1H56]J3HH']		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/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2	1	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/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/i1H2,3+1H/fC5H8NO4/h6H/q-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/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		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/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/i1H2,3+1H/fC5H8NO4/h6H/q-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/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		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/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/i1H2,3+1H/fC5H8NO4/h6H/q-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/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		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/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/i1H2,3+1H/fC5H8NO4/h6H/q-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/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		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-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']		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']		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
Glu-3-a_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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-a_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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-a_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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-a_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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-a_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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		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-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/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		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
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)/i1+1H2/f/h3H	['[1H6', '1H7:13C1]HResonance']		2	InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/f/h3H	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,23+1H	[1H72:13C23]HResonance + [1H72:1H66]J3HH		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
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/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		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/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	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/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		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/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	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,21+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:13C21]HResonance + [1H62:1H60]J3HH		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'_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	[1H61:13C20]HResonance + [1H61:1H59]J3HH		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
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/i1+1H2,2+1H2/fC4H4O4/q-2	['[1H9', '1H10:13C1+1H11', '1H12:13C2]Hresonance']		4	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2	1	integer
UXP-1'_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/i7H,8+1H/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/i7H,8+1H/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/i7H,8+1H/fC9H11N2O15P3/h10H/q-4']	['[1H29:13C8]HResonance + [1H29:1H28]J3HH', ' [1H33:13C8]HResonance + [1H33:1H32]J3HH', ' [1H37:13C8]HResonance + [1H37:1H36]J3HH']		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
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,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		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,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		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_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	[1H19:13C6]HResonance + [1H19:1H18]J3HH		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,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		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
METABOLITES_END
EXTENDED_NMR_METABOLITE_DATA_START
metabolite_name	chemical_shift	peak_area	peak_height	peak_width	sample_id
AXP-1'_1	6.136381662499794	45.79342025797174	0.9520828941068555	14.17469334902139	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138287812721113	86.48388328026059	1.842019484450974	13.84785527242694	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137113004855339	96.26265016228704	1.854449845721247	15.31032026369802	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.136917284544253	116.1807173752516	2.408710655533605	15.3749484900181	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.137536794530805	74.63821187891017	1.620842003081914	14.39717967572971	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137264771127564	190.1369416442861	4.410275759179245	14.81265064322009	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.138747733593357	74.42772318053561	1.646490247930381	15.03540975367082	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.13813	8.31266	0.261822	8.86247	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.13738465464693	43.30035980919269	0.8171172394933679	15.83159501688381	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.136838265047282	264.811117523062	5.538408034016637	15.2931513821746	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.136939344837763	133.8061470592733	2.900039213364692	14.69742001877784	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.136844064824911	137.4699322807987	2.762995213838909	15.10227497848769	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.136674281196495	160.6103762743887	3.311759423106174	15.34648325252075	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.136181701273464	264.242151302088	5.651737830711093	15.42590105663238	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.135721023680007	305.4856252594037	6.659245977016853	15.2582743514976	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25162	2.849423	0.164202	5.919358	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25152	3.324198	0.164145	6.120123	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.2514	2.946249	0.15969	5.804466	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.24984	11.597999	0.463547	7.931218	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250337455216282	12.06420723217096	0.4791289262249709	7.951525344753151	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.249145256946596	30.55557245730884	0.9405503367184581	9.596239168507829	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25063	10.93422	0.461088	7.818698	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25079	0.733214	0.085635	3.266586	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.25154	3.289557	0.16366	6.100006	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.248880955080276	44.38993554781844	1.4372801906593	9.109292095517885	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250607376885737	28.19169551365748	0.8018056560533028	10.0848318516565	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.249731724941249	24.31315459159563	0.7442609179284465	9.91587137584578	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.250131020090414	59.64832783371462	1.833124360212066	9.618942175148778	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.24958309155523	92.19674174295989	2.942247598174729	9.442317398669228	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.249145256946596	116.9778719133281	3.679192230935466	9.41200596749734	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.54393	0.320377	0.045538	2.684104	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.5439	0.347251	0.048002	2.759931	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.54391	0.378145	0.049483	2.915542	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.5439	0.338414	0.047271	2.731332	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.54398	0.850915	0.106991	3.034295	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.54387	0.358567	0.048459	2.823017	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.54376	0.397714	0.050444	3.007974	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.55609	1.335498	0.040998	9.092869	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.54394	0.290052	0.044549	2.483996	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.54386	0.355764	0.048293	2.810578	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.54383	0.336977	0.04719	2.724381	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.54386	0.320839	0.046526	2.630939	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.54384	0.360402	0.048383	2.841931	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53306	25.306891	0.699086	13.810929	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536729228357848	53.30121168918659	1.09135458548435	13.6330225403995	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.905855038724257	34.14077820148403	0.498337491525341	16.86426731046236	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.90465368851727	63.09991705723906	0.9276743571022281	18.08629506773595	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.905031045139739	45.42700012815738	0.7543053604826409	15.40177436108289	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905499470154024	81.72921114240083	1.047683965712737	19.66753142854397	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.907931080885827	28.32635486481849	0.6781176564802756	11.55562494233035	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.904913394131588	48.68015211545121	0.736467207666195	16.50698281096414	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.905267656541204	68.54850365945694	1.009809988729468	17.53883800288086	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.903360481010619	88.25335373113423	1.215432495853944	19.23754947139791	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.904570917156736	124.9598692484597	1.555311094378906	21.13821139905585	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.462421665583037	76.54560968741234	2.015015113581445	14.4293386474339	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.457456396746181	101.2622831779282	3.362094017545203	8.740948735043336	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.457122323947243	109.3462093670539	3.362378224329309	9.429267933411378	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.457859300468542	128.5150410744749	4.093930726439894	9.170572623153433	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.457650180969348	70.75144126535639	2.132587759045167	9.321022792733325	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.457574829699968	229.8837035796728	8.688462812225973	8.003971286748381	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.458183500216873	86.54476911648263	2.908613562272104	8.513950722888014	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.4578	8.234909	0.278911	9.52106	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.4579	27.714691	0.949642	8.194246	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.458894833712234	219.2718657458661	6.925414852583793	9.235488376000449	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.457452883951387	115.566153138584	3.862210210495003	8.741066453610662	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.457731531661208	210.9648380364851	6.375071369524823	9.54490653828472	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.460409907472234	233.8007903074859	7.820513734831705	8.885728144976332	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.459421798880112	510.6831002995823	15.43733521598637	9.603355293320677	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.458970545000088	561.132778847223	17.73579437738415	9.276130840066966	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.469732237510872	89.34605507275192	3.240522475380615	8.572104925152049	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.469670721248802	70.26864833947955	2.753206365564727	7.837585190296477	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.470199443987572	82.66630059528319	3.357563593549903	7.640342344486114	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.4706113915833	63.99156169429923	2.083529758464947	8.98754334179269	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.470121009446977	371.5802119803173	10.72617872701217	9.857028119592929	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.470879970137591	142.0745968743644	3.989194422197095	9.941505971521718	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.4715	7.570297	0.333438	7.635935	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.47025	33.305228	1.093218	8.739451	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.471443194279469	165.9492687472505	6.206454025484127	8.116085018743881	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.470162129353348	102.5439112751455	3.717596628684908	8.237349016121078	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.470315150853932	140.8523993181639	5.451939951878191	8.075792561442197	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.472967347479461	230.6674418489047	7.820170228745068	8.726502694623756	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.471924636964683	388.3332349516663	13.63151226177946	8.714741011907792	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.471597664563019	456.8926391476879	16.07407505971135	8.532284658805727	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_1	2.6331	24.955227	0.640539	11.421397	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.63458	18.513172	0.905547	7.799868	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_1	2.63369592842823	45.07134674846114	1.428318227805759	8.823015153481299	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_1	2.634605292270308	53.30524466350515	1.636029837042941	8.91798700408005	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.63413	11.107255	0.594954	7.122611	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_1	2.635101807640007	68.30912757948848	2.437583669905375	8.026457434800589	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_1	2.63622	10.7108	0.632744	6.458198	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.63409	5.332393	0.322357	6.221148	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.636797870548334	41.61730493936282	1.271626067728987	9.006766860836493	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.63387363067005	32.22864489958108	0.9947527823224295	8.807732581069637	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_1	2.63452	28.314254	1.063197	7.808726	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_1	2.638342342006621	67.32388772037778	2.118824087161362	8.779677894343042	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_1	2.637274750317549	120.8396158652815	3.755744089704975	8.975623346158528	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_1	2.637124327463003	125.2065661396575	4.016838219841685	8.749554543713138	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_2	2.65087	7.197733	0.356291	6.013299	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.64982	20.359497	1.008145	7.541129	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_2	2.6496187603963	29.63004059039303	1.057910025150197	7.95057131472217	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_2	2.650933632728678	30.46126543170628	1.14125203653801	7.65034030516899	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.65002	11.377641	0.549882	6.626596	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_2	2.650946959794546	61.77834874310633	2.027710238502554	8.44306207761066	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_2	2.65109	18.524597	0.644592	8.454107	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.64987	6.663481	0.310487	7.086577	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.652150129909329	28.1326228502759	0.9571151103431812	8.204781119313633	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.650176222331984	23.01169043312481	0.8321900582839444	7.820621372375543	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_2	2.65115	33.457427	1.030064	9.183897	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_2	2.654499311289133	54.15599708212521	1.692537894451937	8.877095592207034	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_2	2.653207763830798	77.87106336408561	2.748540385201811	8.072909677031289	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_2	2.652881189878901	79.53441538042571	2.910137581490045	7.628910502843635	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_3	2.66421	13.925015	0.592019	7.810697	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.66311	18.128164	0.994288	6.70009	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_3	2.663638329957561	43.06519544452912	1.493724747900466	8.18169242143892	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_3	2.664572850685917	47.03232969985041	1.695522840606624	7.990555074887266	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.66503	21.872259	0.842437	8.005004	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_3	2.665099077598568	85.22983213891023	2.918951255939582	8.223509719882612	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_3	2.6659	13.366912	0.700795	5.970886	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.66271	5.946258	0.302467	5.86308	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.666725552921734	42.78112025455265	1.372319376701276	8.701976489756394	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.664074207484405	36.15704678768813	1.205040037822351	8.424624311157627	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_3	2.66523	9.848855	0.861644	4.360868	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_3	2.667995965411693	65.83164075523003	2.382199712246422	7.968621387676555	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_3	2.666910207158837	139.6454301730982	4.394231017515898	8.835974215336977	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_3	2.666846430026598	147.0514892670363	4.66826408341856	8.749554543713138	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_4	2.67857	6.464008	0.410806	6.003162	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.67901	31.084707	1.11984	8.458683	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_4	2.679069022728148	29.97398375571726	1.212493622543211	7.291326706802741	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_4	2.679924775560833	48.49762991098264	1.628995628465979	8.357800197569114	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.67912	16.911309	0.667538	7.502777	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_4	2.680661468722607	73.69181671972434	2.649708618242878	7.911111177586544	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_4	2.68037	29.680792	0.884257	10.310719	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.67982	10.605069	0.329348	10.383649	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.681890827798037	36.3090803905299	1.304185972099939	7.955742033390517	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.679650896551327	28.79826246944847	1.077393695263184	7.676275387275564	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_4	2.6784	25.563529	1.034097	8.20371	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3a_4	2.683783652377404	60.64729641911666	2.107706409691662	8.234421235944632	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3a_4	2.682801725384857	99.18013454461682	3.585457534906582	8.005624282812754	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3a_4	2.682662785514943	92.0746339267511	3.757524072789573	7.391961784223874	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.790217984500345	27.02938013837685	0.7955871143648122	10.39021788117051	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790464347704168	52.2806522308469	1.713056343413884	9.642593416965848	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.78952749462401	87.76748553407337	2.472515213351191	10.66742115834353	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.789978432615772	97.75237077040738	3.007064021220356	9.969339172897458	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.791468321361921	39.37753514729673	1.259533092437418	9.48461299448233	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.790204892749827	130.5514679648061	4.672300900207079	9.550439907450505	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.790533688591876	44.43327238916301	1.253378961441293	10.76070401596298	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.791319342525896	17.55324978876997	0.5764346096582875	9.650941526946728	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790385689296395	81.29294451880371	2.328000879633236	10.75033081222877	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790001791724873	56.03749284125491	1.814723864802342	9.634536122965153	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.789698530217493	59.08274151018466	1.721692653677772	10.5653638579136	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.792036840710912	128.5911637578879	3.979302954160755	10.10324776128403	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.791026990089155	235.9937135061004	7.091261056773613	10.53611849567781	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.79030138813954	240.0104262049578	7.247594696419586	10.35364071973495	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.820227915584149	25.31503459370405	0.7475401099878156	10.8144856309292	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.82016659508275	44.48533519180938	1.504517050898039	9.695198500801169	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.819587796042148	52.08116555484613	1.853951141591616	9.44616078049778	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.819857032350111	69.0159156014233	2.309222154310813	9.731396065404686	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.820414310032615	34.91850861464518	1.06859048717529	10.13192745658104	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.819562862941139	120.0158069919051	4.104349985751438	9.644073825755951	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.819511344957931	40.41815656300137	1.054262171522202	11.55795417231536	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.820903454681619	19.87838145428877	0.6482987125275709	9.521847902148348	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.820090262154276	50.87403082599418	1.818739255928173	9.63341704268939	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.819624758401941	48.63536337891019	1.563972904711098	9.99138854349392	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.819530394359657	42.57838290912783	1.442480616511868	9.462675480527887	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.821860102255507	93.74437082969969	3.155457230368439	9.9267973032761	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.820694023724849	160.8984130746558	5.760242314984819	9.549211319440387	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.820071198094563	172.1017903220361	6.005298372243392	9.657312403883628	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0001170197966108313	24.40918223332101	1.008119279691624	7.642421584658301	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.000557393360760675	36.65324199914772	1.255976190609929	8.566426271648588	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-9.957573094920608e-05	41.8638941223226	1.258282907458098	9.420575908006283	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0001291575911646241	33.03817529571591	1.096982784730226	8.700449374285137	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0001580935545971387	30.63726628844863	1.10859211259031	8.086068676381217	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0006475678989392995	33.2931689378879	1.148930721851173	9.059790872664152	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-0.0001449318516959036	31.4674409397654	1.169391165165163	8.168012708378594	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	5.774021365545874e-05	30.74594931512704	1.122855518235218	8.09682504321608	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0001603606727852161	36.4332392197114	1.343348756799032	8.207983062187225	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0005956202745129161	28.31659447924688	1.063972360034136	8.071664508193273	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0001354396950582248	32.58059140100046	1.182977787141975	8.292301380401144	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-8.470867160065077e-05	32.66975739270552	1.106120753936211	8.711339152315473	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0002689276119868907	38.35935526820028	1.052046717579924	10.45810154078331	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0001354396950582248	36.84739198014615	1.085740930865922	9.734129614514858	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.000108659856030707	38.15484847471423	1.051632421683981	10.24841228219204	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.12896	147.885178	1.848201	27.194642	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.138009787588326	89.54145061839182	1.554080149900553	21.97001921216694	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.15016	43.25984	0.721994	17.778029	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.145445429963217	156.6731222437544	2.745388516535456	17.32229669719083	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.152008603709517	113.3363837086734	2.534362732899864	11.54702956575133	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.14018	201.624131	3.454641	22.266628	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.143958574278678	412.130978998021	4.671000711457817	23.34935333874789	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.144486841731227	295.4723133396307	5.660368267008029	18.82451838877873	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.140571472460463	234.2380627542914	5.044204019434465	13.18179009676924	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.153265490596149	121.128885144395	2.9935442578131	10.90264682242993	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.52713	30.946707	0.319505	27.036966	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.52708	32.787938	0.362845	25.223973	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.524874388199482	111.1433058090692	0.8978591306056666	41.93694171979504	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.533011677113159	78.50898436962956	0.6665380404116047	35.7527297564019	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.522021455325652	196.4815661325242	1.479390738524718	37.26765901741508	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.53556	59.324768	0.575673	28.766134	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.52503	12.465829	0.211218	16.474478	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.524910014871382	240.4972375052405	1.923408885153797	41.20627889215609	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.526582742354246	151.6137831317405	1.455825279199813	39.71084718983336	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.530463410908573	86.74185577515229	0.8401924923390156	30.45029234462523	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.529738238996624	190.5653901048866	1.45031285542301	38.75465592537045	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.525752662862878	360.4784865881321	2.852008399425677	38.59102382841088	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.515370350268491	138.5709186340582	1.600066602274889	23.9974738130737	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.536357100956874	182.4285970464685	1.742120622335561	29.23045966268701	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH-8_1	4.57548533087359	47.07889907488477	0.6483011081320519	20.15973441315647	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.763692595421746	76.18933488872689	1.25426197808458	18.43836592625641	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.764997959849538	57.85752297168496	0.8164441986697902	20.73031320497554	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.765583215961686	68.37986767895143	1.046670651658806	19.26902600972907	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSSG-12_1	4.763832681271778	103.640663365579	1.497146647551781	20.40153370031463	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSSG-12_1	4.761654244732505	100.5809127601863	1.597169316164346	19.35459219813787	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.73528	139.49622	1.839997	21.162467	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.73541	277.767333	3.582051	21.080779	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.73318	372.922536	4.790528	20.948619	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.73605	415.567205	5.588109	21.330106	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.74559	223.26936	2.468622	31.710537	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.73652	681.84722	9.016055	22.955424	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.75259	375.415774	3.611319	31.554508	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.74133	150.414057	1.467649	28.607984	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.74953	1111.61034	8.558136	36.257205	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.74386	414.085046	4.282971	30.546625	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.74865	260.956108	3.361037	29.6056	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.74783	861.735925	9.413788	27.468031	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.73001	126.215462	3.941939	8.886594	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.72907	55.320498	2.259103	6.701595	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.76909	75.903111	1.8267	15.844261	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.77312	22.551484	0.905746	7.557597	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.74159	620.6545	12.476762	14.100198	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.74017	833.737628	14.25271	16.252078	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_3	3.75554	314.11636	7.007558	12.664455	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.76073	334.239581	5.759995	22.126641	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_4	3.77128	163.503052	4.132365	11.735068	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.429525197877061	60.00591652215144	0.9952583820650261	22.98994613183837	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.428072276472379	36.29123377709802	0.9792596887706779	9.983108676692469	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.440939416576014	23.90246252554517	0.8602423711148652	7.892477101296387	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.042579302824687	108.8569089646088	1.005185850254899	33.85840632764791	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.04804603400604	213.6787507122189	2.341329417023176	26.91784995033121	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.044407067715085	253.7333182117619	2.759757660136081	27.19424536355285	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.03210381314911	174.1797745150545	2.009797455969313	23.34195040026923	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.049593799482349	180.1358468690186	1.586116202096044	34.2344509377888	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.0218488198987	80.10741877730503	1.683704488810318	12.04563698710473	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.049942309431389	144.2910156572232	1.687654880626005	26.26620183315841	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.049305493020866	82.99772006757767	0.8967599002498666	28.93655752393637	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.048795059799291	445.7499920078165	3.61555417036286	35.20476953217592	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.051482605031756	492.4447391053826	2.568506509492771	50.10111117487015	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.046473909483785	286.3539245746412	2.482320337874039	31.36046918153969	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.025326929147502	74.98721013302638	1.826087780579862	11.16356185797028	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.024900676017223	90.03983588688193	2.63383892385041	9.388261409631577	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.024169616047652	93.87123748809799	2.84552289690225	9.094371966452568	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.048324867518581	61.4996849924618	1.909075995718528	8.91585686747278	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.035398298447695	92.54678846160246	2.510616618970343	9.707424280562151	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.039557685378024	116.5910138259492	3.292946281498486	9.77364464575363	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.038224519838054	175.5900679756735	4.693586739398216	10.12005695825719	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.037627053361318	196.9672473253042	5.284515560146606	10.0680075858469	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.061188794565513	31.42542184764878	1.289548800470811	7.098145406850368	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.047694282629906	133.4387257318932	3.846387686697949	9.554548173531225	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.051813095696756	113.3289942926478	3.516304233874728	8.996540504097267	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.050524614210625	190.1537140576888	5.576667640582588	9.423906602747767	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.049854207224114	184.9779886964542	5.803831781932452	8.868772150103684	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.060664045641329	76.6247547376434	2.529006109154456	8.406695582873276	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.06510897434364	174.2688737020634	3.738544633332454	12.34702281270264	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.063646854404498	144.1320745576087	4.228979371998133	9.497144579628687	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.06289457951326	146.5574700169495	4.194947062152838	9.34019728646961	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.075332845596813	200.3859002685867	1.78716640915404	31.58627265029311	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_5	2.076649717796355	1483.232171221974	3.673520530871095	99.98713803190047	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_5	2.075678471248571	1352.610908300014	4.809267561038195	72.4908723978341	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.118046782028767	133.0858748886714	1.363687143844388	34.16565672117455	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.10208	181.585732	2.431437	24.082998	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.116069951621648	341.9097400234457	3.571839430863896	31.66252123903627	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.110788822308371	454.5589993006345	3.871295583317097	33.01113550251818	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.12178	212.39343	2.038655	37.907898	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.10777866352098	278.2126021789539	4.527578433323598	19.04201710530882	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.126418161592835	365.2109523998902	3.054765687309541	37.37857756521898	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.123627836926855	127.781755681675	1.289141430809329	32.96916758611381	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.107667437885133	213.1745801658234	3.660173882165196	19.50613017922954	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.10569	363.700129	3.420512	30.704255	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.12451755659396	367.6166077584306	3.400630349411126	33.79812265287139	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.111913008798577	385.0643029848577	5.432491114345396	19.57155678002804	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.109549212344085	362.8913083149645	6.579143775380135	16.548299496292	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.108876435619564	358.4064815361867	7.352468202771952	14.98727302358468	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.126571232380799	338.9440991631351	4.540188202854694	20.78746177831142	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.135597070401829	342.7124094689245	5.324457569253063	20.07767691122838	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.127630916531633	68.74331899397804	2.137135034913764	8.719662128612637	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.124835163236721	366.7252892397043	6.06819165766182	15.16880345500791	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.125397245061019	322.3951074092382	6.473855953323851	13.29451134800355	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.336876601032632	100.844930193734	1.512366971005372	18.83716116779777	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336332189219092	230.4181472202687	3.328272248581145	19.85703572521224	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.335180483739338	303.3240931790228	4.220388453922031	20.31263761601244	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.335641783434087	307.9273485615485	4.382750132265238	20.48439601974196	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336063283024134	130.0055766202646	1.724183814747315	21.25309501031675	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336745039508604	797.6724566576129	10.32643105723468	22.13670262040487	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.337072068011683	141.508934786585	1.944374580477052	20.27737690510595	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.337525402963276	89.21169153962553	1.311224055993657	19.35935356471258	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.33713469401037	232.2340220588615	2.937199636484187	22.19072008610723	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336332223054562	188.8439819737137	2.45367493708535	21.862459246153	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336063283024134	270.4342935497853	3.274783982823378	23.22011060713949	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.338118212729618	636.7249786008148	8.375328748478973	21.80552790817902	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336941835330486	1240.815687701896	15.50135005659944	22.72127346768039	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336623019359829	1445.632133263964	18.4188569098046	22.51187662110098	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.535677711885298	26.06442471907508	0.7393491934296579	9.941949095692847	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.535467950678351	50.88946627034148	1.539781791377127	9.20788995151245	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.534753405549564	56.03292781645605	1.645115466084949	9.574554728449305	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.536001633120936	56.62308255509454	1.764406108045271	9.054964389635295	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.537789580356271	30.07157556684615	0.8524376720417803	9.590268935774894	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.536004753640589	110.1732837156544	3.459903447367424	9.013086845872357	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.539015873605739	44.58078918782368	1.351543466606365	9.2074354571633	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.536870649819679	22.15945910903748	0.6079217237959563	9.936287749829953	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.537686338598412	140.7513599302892	4.255844726282821	9.20788995151245	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.535502220743633	79.42023937891581	2.281687117350801	9.568490552377904	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.53719481302965	56.72524138169769	1.747147300593754	9.062912342261821	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gly_1	3.541443417516177	110.1108776805895	3.569900372690603	8.674757616182369	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gly_1	3.540003573388684	147.9875067467158	5.172358228344851	8.330948051368408	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gly_1	3.53905371628152	165.5296423857472	5.645718159322288	8.320725257701506	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.41757	0.922573	0.040144	6.415016	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.40386	0.417041	0.02961	3.931548	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.42036	6.850636	0.196587	9.727402	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.41396	11.704233	0.313505	10.421243	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.40427	5.85948	0.109482	14.939512	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41397	8.326369	0.197874	11.745914	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.413742722218437	93.09087052040788	1.572144486149318	16.90153555775324	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.4057	0.295709	0.015254	5.411407	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41328	37.239229	0.669287	16.888966	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41629	35.731561	0.693245	15.025095	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09187	29.195453	0.677693	13.892302	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09298	58.650942	1.33	14.220513	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.09857	80.519925	1.449986	18.725186	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09315	36.186305	1.11325	8.611936	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09012	3.844191	0.075695	16.376757	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.09397	79.316656	2.3672	8.787831	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09236	43.033189	1.435489	8.140672	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.08974	38.605716	0.687648	18.104118	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.094	115.238623	2.994821	9.743833	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09307	49.132178	1.484563	8.924799	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.0922	63.051765	1.609234	9.831459	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09374	83.276079	2.380755	9.161092	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09337	183.440995	3.870634	11.666267	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.09307	150.961061	4.780997	8.749555	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.10799	30.613261	0.645562	14.598161	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.10725	65.546979	1.43	14.448352	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10645	41.536367	1.114093	9.666483	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.10173	144.621688	1.709823	25.955826	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10696	128.082679	3.028452	11.172514	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.10557	82.176026	2.033274	11.037884	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.1083	35.335832	0.677714	15.782299	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.10722	133.875096	3.387005	10.473061	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.10677	74.210276	1.719395	11.15144	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10594	72.86464	1.846848	10.722419	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.10652	118.457125	2.705315	10.837055	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.1068	184.188252	4.002825	11.971328	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10629	199.516186	5.20458	10.214087	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311929135561624	255.5513348686187	7.173106673535149	10.3688558415661	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311780509541093	350.5148410351292	12.49616027730246	8.88614223437006	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.31189455334553	465.3346991505872	14.49977747977757	9.826683737098975	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.31235267064555	463.5721463302391	13.94097340404328	10.12736166724049	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.310905956777958	296.1206104296099	10.76631109210006	8.609991116807965	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.31236099550809	860.4242643111836	31.66415467930064	8.561369112088062	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.310624797116904	396.9918764148484	16.07131403614281	7.982237169561348	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.31084	49.679317	1.872959	8.044604	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.311378144446326	139.4592486129763	5.051374457602725	8.799657192812367	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312296034347025	1016.505130553405	35.09336515527611	8.8324080783359	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.31180165302242	517.6605509163813	17.19590375316891	8.973214903361901	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.310973785764514	742.935858676616	23.12772749110204	9.74832582100682	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.31220651631892	1048.996789628073	34.75194837894004	9.334189731621008	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311734840210714	1487.502652774305	47.61725431291751	9.420248402805916	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.311772939523321	1982.125685254794	63.87821064330999	9.63967479102703	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323704283573934	101.4388122337941	4.262040150352727	7.378492270741045	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323611081998374	307.448810425645	11.17421887543338	8.62868651176402	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.32381192501124	253.7045537467885	10.19535342629429	7.682770631617339	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324150482113599	228.0931126855078	9.308052046768733	7.523701991274618	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.32267792136877	284.5458209834779	10.10261575990727	8.714760057386629	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324125417758131	860.1661382785015	30.43766338891393	9.173599586193246	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.322557147975395	735.2657323671285	20.77765202476195	10.13497566174839	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.32242	57.894098	2.004129	8.192693	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.323102427150432	140.5307836999324	4.722355641939026	8.764806198935913	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324152266410376	798.4695624932896	29.73295925459096	8.65586643606533	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323615512779065	395.0358986587787	14.10110905142602	8.465507181432965	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.322849437025673	423.5924404656509	17.14681362761624	8.216833197591379	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324011072478093	774.632043006203	28.80425483363342	8.435212365558423	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323530329968019	1117.902873623698	38.84453692023013	8.772537283867159	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.323620036723041	1306.373005803075	50.15816381033772	8.251820302537764	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.02948	1.601879	0.065518	6.8248	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.03839	11.610896	0.202113	16.0359	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.0389	1.916462	0.086327	6.196888	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.02801	3.384189	0.080845	11.68482	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.04083	3.288207	0.132721	6.915775	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.03024	3.719692	0.059214	17.535026	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.02934	3.304297	0.114377	8.064203	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.02005	14.717706	0.310283	13.240451	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.07266	3.580427	0.14678	6.809092	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.07011	18.561374	0.335625	15.437506	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.071663180813122	42.60580990616699	0.6757738457441383	17.79626713742531	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.074028239379688	42.37962050843062	0.7020891294331926	18.7859484872512	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.0765	10.214372	0.180913	15.760203	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.072753939672106	75.69225080559839	1.217064912579984	17.62403487763783	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.05909	16.768076	0.299232	15.642136	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.0984	0.768036	0.034864	6.149276	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.06458	3.957233	0.085845	12.867576	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.075477920922322	74.00636146435203	1.116040966408679	18.40644157386206	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.075074804931274	26.1484564484964	0.5568129352413843	16.13499231990139	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.07649	19.445759	0.365475	14.8521	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.088131986894068	68.03664952777724	1.167263079542771	18.5586252452519	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.081825890223952	88.04073382589753	1.359344188498385	19.65934328978672	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.075543753231091	95.10363296157286	0.9918670245944013	27.33476348944866	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.3912	19.186623	0.5	11.149165	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.395142947210523	24.46312220196675	0.8027443611722445	8.521285935634815	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.39481702062026	25.0219705556602	0.8188047785715793	8.57591609488243	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.39471527593598	30.86442051340475	1.112480556291508	7.957603189630878	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.393859343775927	14.2476410569857	0.5821489310412762	7.774280288834046	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.395206957241637	80.17287216822662	2.555285778311799	8.76941900144043	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.393327023124908	20.66005301369172	0.7320625266919433	8.16390373083279	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.39358	12.811613	0.46826	8.822838	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.39481702062026	41.46975225905531	1.48278397147539	8.077197249424296	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.394627044706098	18.77961954814027	0.7987611442863352	7.168451241014179	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.393404671925411	25.5681752543065	0.9143275359059221	8.477254409658608	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.394921603477627	52.32644570383799	1.829048701931176	8.300650566617193	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.394388784745349	75.75384771832427	2.453406984426918	8.869828147616069	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.394350315896831	86.02324191257043	3.090362778884746	8.210089564103855	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.98822	5.854171	0.152141	10.740851	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.98538	18.637995	0.365334	14.240643	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.98649	12.716928	0.4	8.874485	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.987976771062809	37.57629676411187	0.70823287851895	14.53568055607008	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.98108	19.935377	0.34303	16.22234	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.986975138174705	87.04239590843692	1.126030811242627	21.38534282121963	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.98203	43.715315	0.63209	19.305258	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	6.00629	3.86502	0.122206	8.828338	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.97994	10.156729	0.196027	14.463033	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.985290369770262	75.27095676947697	1.331758903945701	16.1071961818074	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.98513	27.338505	0.499639	15.273523	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.986194254010045	41.08240610001231	0.6572170595757622	17.15820953614859	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.987245711093238	76.45280457706527	1.051739389876814	20.16109893316551	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.984513999023823	131.3683169582341	2.065006482015268	17.97075409400149	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984623561852987	150.63960484512	2.255561844136538	18.64255258913494	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.22033	0.095221	0.012666	2.098514	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21915	21.935922	0.649	10.079339	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.21739	23.67674	0.580719	11.837681	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.21894	17.81766	0.45466	11.693834	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21924	3.745589	0.146586	7.132605	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.21996	52.125768	1.562785	10.614496	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.2185	24.145441	0.712503	10.366708	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21392	3.258496	0.082634	11.007312	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.21791	1.299583	0.058005	6.253987	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.219632743043457	67.88415077372898	2.039459594051795	10.44513141990842	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21904	25.437906	0.610099	12.066014	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.21675	11.463811	0.4	8	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.21861	26.949467	0.685887	11.392148	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.21777	21.614238	0.604222	10.696095	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_2	5.22098	1.784558	0.075214	6.622998	08_C1-2_Spleen_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_2	5.241	1.409459	0.066126	5.94981	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62532	11.8452	0.277423	11.918495	01_A0_Spleen_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62251	41.241676	0.663765	20.036119	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62383	34.669096	0.706172	14.572004	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62167	51.430736	0.647719	23.891486	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62208	46.983999	0.597797	23.346292	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62143	116.802756	1.674695	21.526842	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62347	29.547182	1.203016	7.894641	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62517	11.229649	0.304664	11.886026	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.61802	94.71143000000001	1.57823	18.320525	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.61285	84.963686	0.638964	37.946484	11_B1-1_Spleen_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.61814	43.435459	0.514046	24.92207	12_B1-2_Spleen_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.60768	66.125787	0.776457	23.772463	13_C1-1_Spleen_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.60768	66.125787	0.776457	23.772463	14_C1-2_Spleen_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.60366	162.130638	1.551462	28.539529	15_C1-20_Spleen_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.63865	23.496406	0.495095	13.994809	02_A1_Spleen_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64001	3.522722	0.333602	4.028702	03_A2_Spleen_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64115	2.876995	0.238902	4.594475	04_B0_Spleen_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.63957	1.371895	0.099772	5.246007	05_B1_Spleen_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64224	50.004992	1.417784	11.373527	06_B2_Spleen_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64007	36.774966	1.202848	9.859014	07_C1-1_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64006	8.068439	0.292296	8.450755	09_C2-0_Spleen_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64286	52.204752	1.916578	8.783659	10_B1-0_Spleen_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END