#METABOLOMICS WORKBENCH huntermoseley_20200814_135357 DATATRACK_ID:2121 STUDY_ID:ST001446 ANALYSIS_ID:AN002417 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 18, 2020, 12:20 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 cells,
PR:PROJECT_SUMMARY               	therefore making the lung susceptible to a two-pronged attack, one of which
PR:PROJECT_SUMMARY               	overlaps with GVHD causing other target organ injury. IPS results in mortality of
PR:PROJECT_SUMMARY               	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
PR:PROJECT_SUMMARY               	established in our group, and in which disease evolves either across disparities
PR:PROJECT_SUMMARY               	in major histocompatibility complex (MCH) class I and II, minor
PR:PROJECT_SUMMARY               	histocompatibility antigens (miHags) or both. Metabolomics changes following
PR:PROJECT_SUMMARY               	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
PR:PROJECT_SUMMARY               	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
PR:PROJECT_SUMMARY               	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
PR:PROJECT_SUMMARY               	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
PR:PROJECT_SUMMARY               	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
PR:PROJECT_SUMMARY               	target organs (colon, liver and lung) were collected from all groups and further
PR:PROJECT_SUMMARY               	processed and / or analyzed. We expect to reveal metabolic pathways affected
PR:PROJECT_SUMMARY               	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
PR:PROJECT_SUMMARY               	will potentially identify different metabolic pathways in other GVHD target
PR:PROJECT_SUMMARY               	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                   	Colon 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 cells,
ST:STUDY_SUMMARY                 	therefore making the lung susceptible to a two-pronged attack, one of which
ST:STUDY_SUMMARY                 	overlaps with GVHD causing other target organ injury. IPS results in mortality of
ST:STUDY_SUMMARY                 	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
ST:STUDY_SUMMARY                 	established in our group, and in which disease evolves either across disparities
ST:STUDY_SUMMARY                 	in major histocompatibility complex (MCH) class I and II, minor
ST:STUDY_SUMMARY                 	histocompatibility antigens (miHags) or both. Metabolomics changes following
ST:STUDY_SUMMARY                 	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
ST:STUDY_SUMMARY                 	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
ST:STUDY_SUMMARY                 	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
ST:STUDY_SUMMARY                 	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
ST:STUDY_SUMMARY                 	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
ST:STUDY_SUMMARY                 	target organs (colon, liver and lung) were collected from all groups and further
ST:STUDY_SUMMARY                 	processed and / or analyzed. We expect to reveal metabolic pathways affected
ST:STUDY_SUMMARY                 	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
ST:STUDY_SUMMARY                 	will potentially identify different metabolic pathways in other GVHD target
ST:STUDY_SUMMARY                 	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                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	14_C1-2_Colon_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_Colon_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage59']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4314; weight%units=g; lineage_4=14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.7420773775641787; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	05_B1_Colon_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_Colon_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage50']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4156; weight%units=g; lineage_4=05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=0.6160223770621668; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	04_B0_Colon_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_Colon_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage49']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4553; weight%units=g; lineage_4=04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.6679368105226386; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	02_A1_Colon_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=0; lineage_2=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage47']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4216; weight%units=g; lineage_4=02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=0.4626846570186025; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=02_A1_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	07_C1-1_Colon_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_Colon_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage52']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.44; weight%units=g; lineage_4=07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.2093335004111359; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	11_B1-1_Colon_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_Colon_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage56']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4494; weight%units=g; lineage_4=11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.2443973624103961; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=11_B1-1_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	08_C1-2_Colon_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_Colon_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage53']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4402; weight%units=g; lineage_4=08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.6115317800148334; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	01_A0_Colon_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=0; lineage_2=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage46']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.1834; weight%units=g; lineage_4=01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=0.6181768442446792; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=01_A0_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	13_C1-1_Colon_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_Colon_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage58']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4385; weight%units=g; lineage_4=13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=2.0735556513766173; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	15_C1-20_Colon_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_Colon_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage60']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4508; weight%units=g; lineage_4=15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.9186640291000003; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	03_A2_Colon_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=0; lineage_2=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage48']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3663; weight%units=g; lineage_4=03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=0.6317204628207644; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	09_C2-0_Colon_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_Colon_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage54']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4197; weight%units=g; lineage_4=09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.6843458692847952; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	10_B1-0_Colon_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_Colon_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage55']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4526; weight%units=g; lineage_4=10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.9744309499653369; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	12_B1-2_Colon_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_Colon_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage57']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.4515; weight%units=g; lineage_4=12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.6127238309055993; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=12_B1-2_13C6-Glc_UKy_GCH_Ms_colon_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	06_B2_Colon_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_Colon_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage51']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3947; weight%units=g; lineage_4=06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=1.5623114343705382; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_colon_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                   	mouse
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_SUMMARY             	Mouse with no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_SUMMARY             	Mouse with syngenic bone marrow transplant. Fed with semi-liquid diet supplemented with fully labeled glucose for 24 hours before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic
TR:TREATMENT_PROTOCOL_ID         	naive
TR:TREATMENT_PROTOCOL_ID         	syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen tissue is ground in a SPEX grinder under liquid nitrogen to homogenize
SP:SAMPLEPREP_SUMMARY            	the sample. Polar extraction from homogenate, lypholized, and frozen. Protein
SP:SAMPLEPREP_SUMMARY            	extraction and quantification. Tissue is frozen in liquid nitrogen to stop
SP:SAMPLEPREP_SUMMARY            	metabolic processes.
SP:SAMPLEPREP_PROTOCOL_ID        	frozen_tissue_grind polar_extraction protein_extraction tissue_quench
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf;4D_17Jun4_Fan_Prot_Quant.pdf;
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4B_Extract_Polar_Lipid_Prot_Fan_070417.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
metabolite_name	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	143.9920161449667	25.82863513468526	23.25184768234086	39.04609071300361	44.39266372660234	49.07735020476921	65.84462932341617	27.33677304604073	68.36506888129854	71.4511772855531	47.55155239562194	164.5134629040136	55.78259279743015	65.80778953145914	43.13778624670662
AXP-2_1	36.62090816389183	1.670048907666229	3.424193043914136	6.930886273263311	7.729845239296817	10.8994151211832	21.37117762624389	7.120344433518583	18.65499834729649	22.87828797891394	6.439257790131571	33.05276023899557	14.62162354528607	16.57376243151196	5.121633232255821
AXP-8_1	10.10833916082194	1.230539361892195	2.751622941959637	0.06859456390583246	1.216348156098362	2.738805175652129	3.616510575565424	2.810250754490229	2.525718988825108	8.451297179934942	3.933382389080583	9.252277518017717	3.373441168264181	0.6853221364331664	1.380345171003771
Ace-2_1	19.63039879453094	8.492699525940507	6.241080250435669	15.01888264243415	12.87601072007338	20.40389419911267	21.56311033333333	10.41427801342352	27.93905118851423	25.82426895897171	16.81616458037142	43.39334348819461	20.22692810699933	39.14785451512591	19.8824976633456
Ala-3_1	97.55244187546697	16.07043207965916	16.26296314627602	26.51561536855539	39.92137021702346	20.78794399728779	48.7754915888742	22.63732886383364	45.03404175980219	59.90775553379174	27.50433499035338	84.77338614905747	25.874832933767	72.76906626491298	50.07028850420856
Ala-3_2	62.82998563349263	21.50315250217831	9.651531132590419	19.8259956000164	20.82186237644655	14.47116601272866	31.44388459542149	16.4302802776374	36.56002784726129	41.46636597079291	21.02680208874009	57.25033709096579	16.08888278745007	43.33672869422551	25.68478122447289
Asp-3b_1	85.06370433303576	9.032666405914298	2.033148528211832	10.99877541072732	15.72203884731755	15.67149151208421	27.99363591430073	22.83595092160458	38.91288015437541	44.38578913637095	13.71903090309527	56.00955781854843	16.07730272301723	28.94467506641373	16.87702216284484
Asp-3b_2	44.24085145390399	3.336234723335	2.079833539735756	4.169795743976367	7.546539940582898	2.601051912642756	21.51790705430468	16.0682766450834	10.00203116584749	26.03759812094577	5.324604830239646	35.5941982597938	3.20826388515702	10.30703532251637	5.048140831911433
CXP-6_1	8.425616479872588	1.011042298003171	1.042413371000514	0.1136242656736114	1.585745047385027	4.691960002620371	2.540143111395166	0.1036492542339962	8.053756406369004	6.983049741745247	0.2512468976604258	4.615202087359521	1.93792205373573	2.286669447126362	0.3726969144055956
Creat_1	11.57695686103206	3.189433293697579	2.139773871656168	4.62054892833625	8.95080300714607	10.26264802445404	21.20116583387381	7.356314620852156	16.83772475736611	11.70254151038951	9.198513130413266	21.276853237251	8.870368690874065	9.770033400135224	7.565942009375207
DSS_1	4.013351858795533	3.813671044548348	4.769478335107156	4.666450211764447	4.327183045507069	4.326627137046395	3.96602303453493	4.179695381895093	3.917083233233924	3.947327919062831	3.986929718042531	3.938617733054052	4.006021033962694	4.155957007214075	4.198512230608675
GSH+GSSG-3_1	56.12103455681295	30.94162278310933	9.51911163671387	37.14792377293798	39.80661151182213	47.43504458698663	99.542901007225	44.79775468189073	66.02091321796883	62.40338985867684	25.24273806218484	67.37896978709695	52.32709449423287	59.6474695459035	38.88801630489411
GSH+GSSG-3_2	28.49111174841835											27.64873155110498			
GSH+GSSG-4_1	36.90449725	3.12181325	1.57686025	2.487024	6.28970275	5.57967	18.542914	1.8134805	15.40757025	18.65597075	1.72941675	34.511298	0.83430575	6.62838625	1.5856645
GSH+GSSG-4_2	0.906092	1.326149	1.79285075	1.70994775	6.59415875	6.98204575	0.0647625	7.130465	12.849826	0.58108775	0.7920205	2.40989125	7.87257825	2.98152	5.2072655
GSH+GSSG-4_3	28.18666775	0.28682325	1.538815	0.546846			13.34540675	3.9454865		14.69859025	2.16180625	8.691846	0.1306125	1.4814255	3.87017475
GSH+GSSG-4_4		1.208756		4.992838							1.05393175	12.61103125	7.75668825	13.72506625	0.82427025
GSH+GSSG-4_5		1.15450725		0.59372175							2.0734195				
GSH+GSSG-4_6											2.85547425				
GXP-1'_1	28.71035213084742	3.505342732107228	0.6953177359889536	1.569058774368587	10.21841656855393	7.24070456541953	10.62025953751086	2.70261994086061	5.449164758989069	19.63831479671124	9.745144049236467	27.81436439423291		19.79843429635838	1.563413325125026
GXP-1'_2		1.679750535927096	1.394817671686173	2.803128586949413					14.62107820595851					5.113543280599656	1.608609934601736
Gln+Glu-2_1	66.39543282949863	33.68982834132842	21.95995516605726	74.71212225361417	105.0112395563296	84.33089009898757	177.3172291290664	8.391689500986255	216.7963174891994	215.6196443770006	74.99771594830935	244.9030521878603	92.64030192609283	167.3881480879327	96.99007511817852
Gln+Glu-2_2	114.2399855604173														
Gln+Glu-2_3	57.35604515693321														
Gln-3_1						11.56842034256058	17.25299488719591						13.78989111522691		
Gln-4_1	22.138517	6.561072	1.5374735	10.02041	7.3181715	5.7429455	2.540632	2.3799925	25.789434	6.1223535	1.3588205	16.4531185	4.1557365	16.954933	12.389004
Gln-4_2	11.00393	2.2045165	2.4378855	5.017619	7.49071215485119	0.8566395	6.385153	3.6334385	3.1029205	8.980607	4.2839345	8.073202	5.726354	7.362843	5.358971
Gln-4_3		1.7228695	2.5028475		3.581678	10.661796	4.899284	2.3927495	2.2921325	9.2781915	7.094369			2.8632495	
Gln-4_4			1.4744975				1.096544	2.517793		3.6327665					
Glu-3-a_1	350.5169270605696	41.3981501602273	55.19931379304206	111.9907377506303	155.4660503504476	133.7240383729551	221.725413123873	70.35371807559969	288.2915555009535	327.7691681367274	92.47415339871053	271.916091053633	177.3196298956656	243.9834742388038	102.3323584353506
Glu-3-a_2	164.6408690579546	9.740941355682557		44.73063650994729	11.29055197900652	8.052403341653553	39.21628267300628	15.58261611783949	29.07951254511108	128.263180726977	8.926616282756166	123.2119733876948	17.68437095444304	24.64798083652469	19.28898749142624
Glu-3-a_3	87.45920406242529	7.517323688448318		30.50139750387656	13.4929724076138	12.84640027209946	22.8651454889376	9.724954235940924	25.3027526907355	34.90919747549822	12.94166718924414	72.72108812982172	28.96170013269496	29.00877505394023	19.93972340057918
Glu-3-a_4	93.93232667086863	15.65378857472088			56.60648117066155	21.04500079358349	48.02124261291491	18.55165343463259	89.05024676652593		27.09078791016285	71.68383866131579		60.1147660608497	34.87381223010373
Glu-3-b_1	876.9636023569307	11.29242408284402	104.5326776059004	39.17365753798001	205.9067490953182	56.80691214728226	73.76290856935387	11.90086545734289	58.13506320726982	580.5879160169823	30.93122121486378	933.710443408735	49.64322791383187	84.31271254704995	21.72862144633422
Glu-3-b_2		103.5085707786381		138.3119579241978		132.4005857256305	273.030177158537	139.7827400915713	387.6686968854661		179.9177363633884		139.9360793284166	370.6426547553605	194.4370031302256
Glu-4_1	14.84479812366304	17.38858598607121	20.45371298171169	34.28010218928755	46.48503092852555	27.96951939462015	59.55602120764431	71.03518764004954	84.8068382151703	153.6852059880891	39.67346156781824	222.9022588225523	25.83560916020227	105.8583883163536	61.35558583283841
Glu-4_2	231.6700337499219											13.01942299114446			
Glu-4_3	31.03340845847547														
Glu-4_4	3.672204874645278														
Glycogen_1	36.71545819608574	11.32240653025835	14.31903344064345	4.492755644497755	21.11029536742655	6.164798195631291	10.59996241513876	23.3358720541129	7.800368993199361	2.588869624673068	5.796185464082209	2.432862262331181	4.648475861234778	11.60134176697883	29.14574250011503
Inosine-1'_1	12.07883110248375	6.700949	3.962162137271919	7.427576457352986	3.407559677104192	13.65579237071422	5.314845808717966	4.736025866647908	6.277257396108193	24.2670925402313	5.700384466829521	9.472600364069027	16.24205191680915	17.35175247831351	17.89484569966194
Inosine-1'_2	8.348384049802144		1.185185176905815	12.25820260979646	6.060669463006789		12.26198006319232	4.283293315400059	7.04106484122688		7.969859082231506	15.86967319515681			
Lac-2_1	47.74246913975532	37.40901453691273	60.4790958353294	51.22778836244171	83.8518367716471	64.96522198999408	105.2158541578006	28.52402453034734	116.104727021371	127.6359096932463	65.39331646535149	74.68881019380855	74.42456134545732	151.3091953075205	103.490160419331
Lac-2_2	143.0412838198787	56.39065114860286		32.31717694258624	53.39580351520735	36.83131554656045	78.69318722702184	23.50933061495876	96.36320887396778	90.38733361898704	48.55587245923275	182.9107274121574	49.13074186872397	91.78425570613096	65.16592008819396
Lac-2_3	129.5478137666256											156.6379122294578			
Lac-2_4	18.18376932235291											15.25680261317532			
Lac-3_1	564.8225123638624	136.4982851977222	108.7294255444751	178.9112672575993	289.8382477552521	210.1066300075726	376.4717574734574	147.995208358239	392.3521557115147	428.1173616057597	221.6371664901704	723.952051986702	202.7310509309492	472.0247198497531	378.6565683849913
Lac-3_2	307.1414285190698	121.7296403075643	90.87233695315958	97.2309525174292	145.6256938269728	94.31630864716313	192.9343605936764	60.71891085438284	259.6456993827458	257.6432327917332	105.0654361093306	371.8555190368273	122.8414882344179	252.4844956485949	169.3860462890615
NAD+-A1'_1	22.41886383272745				1.747131027354005	5.681132637138059	2.719239133883816	3.637313198294509	18.11556985781245	11.79868835288569	4.088272854570602	32.3080823514015	4.166181960245771	11.00162654812385	3.211046768923643
NAD+-A1'_2					2.949524850344091	2.515391670476155	5.651733515909628	1.758348227481662					8.703587689151576		4.241637134462142
NAD+-N1'_1	29.57735742040756	1.947033298487365	2.903942066164263		5.284498940150844	12.31152251966899	13.30949563637122	6.523299397613828	17.28466439529693	14.31076282188462	10.66777165194708	32.10629808581076	7.449618502185752	16.64509096936022	
NAD+-N1'_2		4.344173941976536	1.404698981844397		3.547175231591351		7.021055936791549								
Succinate-2,3_1	12.44375412030194	4.024738969691851	4.459450958707782	3.92735401163811	6.32327286646426	5.798245207513339	13.06927719999861	6.331053858544055	12.1868180691782	7.490499193256232	6.054232956555256	18.15475414865408	7.25845181926473	16.99736142416811	8.751882191887647
Tris_1	20.54210658394742							489.4568911354065							
UXP-1'_1	46.41410797001765	4.534836512774683		9.111652084590322	14.45490555417375	26.51432561517123	20.74802850500198	4.426202115199312	20.00467234132474	17.45537279941862	9.964591477497981	49.38704463528799	6.351972601637023	17.06103457845928	9.517366311263574
UXP-5_1										0.9149518563570072	2.496749010080591				
UXP-5_2										1.63147383154907					
aGlc_1	91.31527559902443	25.64585637008402	16.44077580801535	13.52458474579141	66.38143875546423	20.90203878948515	56.39482603218143	62.08989970381795	120.4073840171632	19.43161931240142	16.4187059349987	38.66652726597157	11.07734741591723	17.90547565184021	42.10225907243841
bGlc_1	42.06658615384615	36.73111692307693	15.66767692307692	7.770541538461538	32.44878615384615	8.981516923076923	42.52050153846154	11.82464153846154	51.52505692307692	11.82464153846154	10.12518461538462	15.02817846153846	11.96937076923077	18.10826923076923	20.26213846153846
bGlc_2	40.10629230769231	5.22755076923077	13.37100615384615		24.58674923076923	10.42301692307692	26.61657538461538	10.20926923076923	47.52325384615385	10.20926923076923	11.98878	13.90965230769231	14.88762153846154	15.60064153846154	24.58442
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-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
CXP-6_1	['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O14P3/h10H2/q-4']	['[1H23:13C2]HResonance + [1H23:1H22]J3HH', ' [1H27:13C2]HResonance + [1H27:1H26]J3HH', ' [1H31:13C2]HResonance + [1H31:1H30]J3HH']		1	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4']	1	integer
Creat_1	InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)	InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/i1+1H3	['[1H10', '1H11', '1H12:13C1]HResonance']		3	InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)	1	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+GSSG-4_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+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']	3	integer
GSH+GSSG-4_4	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+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']	4	integer
GSH+GSSG-4_5	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+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']	5	integer
GSH+GSSG-4_6	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+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']	6	integer
GXP-1'_1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1']	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O14P3/h14H,11H2/q-4']	['[1H31:13C9]HResonance + [1H31:1H30]J3HH ', ' [1H35:13C9]HResonance + [1H35:1H34]J3HH', ' [1H39:13C9]HResonance + [1H39:1H38]J3HH']		1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4']	1	integer
GXP-1'_2	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1 ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1']	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/i6+1H,9+1H/fC10H12N5O14P3/h14H,11H2/q-4']	['[1H31:13C9]HResonance + [1H31:1H30]J3HH ', ' [1H35:13C9]HResonance + [1H35:1H34]J3HH', ' [1H39:13C9]HResonance + [1H39:1H38]J3HH']		1	['InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1/fC10H12N5O8P/h11,13,18H/q-2/b11-10+ ', ' InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1/fC10H12N5O11P2/h11,13,18H/q-3/b11-10+ ', ' InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1/fC10H12N5O14P3/h14H,11H2/q-4']	2	integer
Gln+Glu-2_1	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/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-3_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:13C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]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_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
Gln-4_3	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	3	integer
Gln-4_4	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	4	integer
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-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
Glu-4_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+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	2	integer
Glu-4_3	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+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	3	integer
Glu-4_4	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+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	4	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
Inosine-1'_1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10+1H	[1H27:13C10]HResonance + [1H27:1H26]J3HH		1	InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H	1	integer
Inosine-1'_2	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/i7H,10+1H	[1H27:13C10]HResonance + [1H27:1H26]J3HH		1	InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H	2	integer
Lac-2_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-2_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+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	3	integer
Lac-2_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+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	4	integer
Lac-3_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/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+-A1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,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	2	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
NAD+-N1'_2	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,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	2	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
Tris_1	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2	InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1/i1+1H2,2+1H2,3+1H2/fC4H12NO3/h5H/q+1	['[1H9', '1H10:13C1+1H11', '1H12:13C2+1H13', '1H14:13C3]Hresonance']		6	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1	1	integer
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
UXP-5_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:13C1]HResonance + [1H22:1H23]J3HH', ' [1H26:13C1]HResonance + [1H26:1H27]J3HH', ' [1H30:13C1]HResonance + [1H30:1H31]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
UXP-5_2	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1+1H,2H/fC9H11N2O15P3/h10H/q-4']	['[1H22:13C1]HResonance + [1H22:1H23]J3HH', ' [1H26:13C1]HResonance + [1H26:1H27]J3HH', ' [1H30:13C1]HResonance + [1H30:1H31]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']	2	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
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	6.136797816685054	27.33677304604073	0.7462669602423564	12.96991877944494	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138399600594534	39.04609071300361	0.8708279057890597	14.14369620450009	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.138584987946259	47.55155239562194	1.144089566816902	13.75376017686935	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.137945007594158	23.25184768234086	0.4570689094187814	14.56602418088704	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138948159608741	25.82863513468526	0.5785007835831943	13.36605818975142	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137934618367913	43.13778624670662	0.9317091677451776	14.51096248304693	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.136263344121042	44.39266372660234	1.210248317119478	13.99432223263355	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138418286900376	65.84462932341617	1.881356645448727	13.35261316077805	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.136060018250774	164.5134629040136	4.022081129113055	14.19453543159877	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.136838770397663	55.78259279743015	1.5084636146414	14.09632685076443	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.138980627716123	49.07735020476921	1.122589108286779	13.48502634883221	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137696589963514	65.80778953145914	1.813610084105929	13.84362331387591	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.137819949482759	68.36506888129854	1.925321158864179	13.54717766385774	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.136868555942553	143.9920161449667	3.702718231825307	14.08339046755411	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.13734635206661	71.4511772855531	2.158350819924103	12.62995654111082	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25192083808973	7.120344433518583	0.2398898213400564	9.571524194912856	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250590427457395	6.930886273263311	0.2518754385635208	7.99970467304449	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.252854625778749	6.439257790131571	0.2663353374290358	7.796486651229428	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.245923298244222	3.424193043914136	0.1206757560304289	10.82564821429924	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.249423420824494	1.670048907666229	0.082797152936196	6.504377015547822	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.251104739263328	5.121633232255821	0.2256627049565243	7.243332647360051	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.250818541333592	7.729845239296817	0.3052511782959866	8.232317099466169	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25017665871206	21.37117762624389	0.648433824636295	9.299090753426258	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.248834901661857	33.05276023899557	1.386885819282614	8.349445395927416	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250898099107577	14.62162354528607	0.5307469176607155	8.018892086824378	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.249947035343562	10.8994151211832	0.3642129618476228	9.371563203054547	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250817442019915	16.57376243151196	0.5751617307707806	8.128225850851432	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25110145189585	18.65499834729649	0.6982852079945724	8.036825843563557	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25026186767344	36.62090816389183	1.470976545361403	8.00192861973996	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250555880264772	22.87828797891394	0.805107706217387	7.950706232024745	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.537845678253474	2.810250754490229	0.1060721351561642	10.10784168499517	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53898267647956	0.06859456390583246	0.006654247830757016	3.932832946419472	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.53757379469901	3.933382389080583	0.122326880953669	12.2675948422978	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.537704053613613	2.751622941959637	0.08630108655453815	9.737532498316831	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53876780846579	1.230539361892195	0.08896239188160941	5.277210447237302	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.541536959855028	1.380345171003771	0.05628121071286111	6.846131193162127	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.53888044745738	1.216348156098362	0.08096176618337023	5.731813920351954	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53126797171168	3.616510575565424	0.1318763342822521	10.4625963154772	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.535184221651738	9.252277518017717	0.3512349041536094	8.22061572936227	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.537382768353085	3.373441168264181	0.1681186721948379	7.655503604924804	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.538970539030489	2.738805175652129	0.1512133038962807	5.968329966284281	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536857365031874	0.6853221364331664	0.04115018591849801	6.353899964007682	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.537556403967146	2.525718988825108	0.1445880224748763	6.664488763666562	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.536787495473225	10.10833916082194	0.3297224036880153	8.892164964624175	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536743374573136	8.451297179934942	0.2353398362654982	10.08582571030763	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.892173863602345	31.24283404027055	0.4562645773743966	26.12456210875321	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.901520864537033	45.05664792730245	0.8644171627437803	15.79116087071758	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.907194760943495	50.44849374111427	1.156071548767544	11.07443200762824	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.902092073573974	18.72324075130701	0.475091827721814	14.0907148315974	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.90555951102907	25.47809857782152	0.6313869867738299	10.97005043836077	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.905732641340035	59.64749299003681	1.17873484142707	12.69930241472045	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.906463701141765	38.62803216022013	1.110420490700317	9.71037641795633	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.90077	64.689331	1.33307	15.227519	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.906931465183784	130.1800304645838	3.358143867784762	10.27056761159764	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905732641340035	60.68078432099799	1.448689268277682	11.60818346289587	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905251248631576	61.211682597338	1.254802759731318	12.99766079757703	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.905979799639456	117.4435635453777	2.270849569696671	13.03898235779123	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.904270521736575	83.81715356554268	1.559181040864411	15.00573633533154	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.907194760943495	58.89119638359281	1.822708122657481	9.01471364019368	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.904651151149415	77.47280687691514	1.493119025751852	14.51578835245817	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.460710401491747	67.91198659150093	2.393195293420465	8.185978652114501	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461311247733571	79.54684610566618	2.743914401265807	8.31512892062557	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462277447274135	82.51300497106014	2.859230060346369	8.269645467013918	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461760309342677	48.78888943882806	1.491185238337759	9.366668622834169	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461574491870253	48.21129623897747	1.937612228014592	7.412350711376708	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.461979341690018	150.2108655126257	4.584325628416839	9.187664988637733	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.46219261266708	119.7641106510704	3.711161460906884	9.0693121841885	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462493160110924	146.3264747666226	4.882269079254048	8.596423039377763	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.461692804543417	254.3201584471724	8.719537645363951	8.433411457357192	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462056078699765	77.624498801301	2.547205280526283	8.665633213108606	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.46203559568574	62.36383199186339	2.110413225682252	8.409138114821323	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462198653115845	218.307198794739	7.209713206930302	8.766779382121552	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.462144341880101	135.1021252794066	5.042793508857446	7.912938980661226	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461979341690018	292.6573256264009	9.799622868683345	8.565774121230222	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462083696517912	179.7232666013752	5.992909946511899	8.595071620058452	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.473294673974463	49.2908408329122	1.962560225531037	7.270551045035829	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.473895440793241	59.47798680004919	2.345623157396514	7.385084129473212	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474843538280265	63.08040626622028	2.47376515163233	7.437163358937478	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474553026353741	28.95459339777126	1.18670448200611	7.390749235542931	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474187174792154	64.50945750653494	2.186589779956566	8.461992900433602	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474851850431309	77.05434367341867	3.479828783903092	6.721311710478123	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.475053416653558	62.46558712933965	2.761664294814655	6.831244336927659	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475242901737578	94.33165378626447	4.024269611194906	7.042724795432096	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.47442066865099	171.7510112728974	7.235849097911252	7.136806108156338	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474734314448406	48.26664836235021	1.98770889130206	7.128090259562243	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474553528198055	43.41349803818597	1.801529448351068	7.18019002794947	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474967387876745	130.0101860826765	5.810215935471702	6.966857960194138	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474800352947875	109.6800835417839	4.524630501501131	7.373754945299468	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474575367177914	188.4899569004779	8.183608184708714	7.115218931292013	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474733697489252	124.3990979123787	5.062526767204072	7.247553873705207	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.787530903563619	22.83595092160458	0.4460134963834183	15.00332909183559	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.7871088926748	10.99877541072732	0.2819795932773617	12.20483007559708	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.7908846562896	13.71903090309527	0.4062596177529243	10.07006859308505	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.789062353957179	2.033148528211832	0.1061926326106625	6.703346019699487	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790656526226521	9.032666405914298	0.2990943723923496	9.788593862859033	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.78957050921826	16.87702216284484	0.4882217221246154	11.44621629438209	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.79029463260802	15.72203884731755	0.3972520575464626	11.40617796841756	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790306497829559	27.99363591430073	0.6521791471854366	12.52334143563731	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.789607143746111	56.00955781854843	1.747582025036874	9.818153727873351	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.789847757041095	16.07730272301723	0.3797920230115258	13.57361060834105	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.789491825461528	15.67149151208421	0.3325050993290786	13.54205614700158	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.789284915001073	28.94467506641373	0.7554141020577931	12.10350617409026	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_1	2.789552631552966	38.91288015437541	0.9443616787253658	12.92603799889059	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_1	2.790138495034591	85.06370433303576	2.554155297704895	10.21444039040775	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_1	2.789885080735565	44.38578913637095	1.228935436911156	10.60524303562571	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.821911084330139	16.0682766450834	0.365699631991693	14.16891833440118	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.818935164222445	4.169795743976367	0.2007561533824624	7.924310887624978	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.82063481156999	5.324604830239646	0.2708259911080153	7.500913588556887	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.822093377375965	2.079833539735756	0.09171753848171404	8.651528395512916	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.820338744022647	3.336234723335	0.1446544082096089	8.79913149957934	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.818495592107424	5.048140831911433	0.2827496821787415	6.811527468399365	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.819162506879354	7.546539940582898	0.2310272616260442	9.342980736589857	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.818845035715465	21.51790705430468	0.5756207080947161	12.05467588663609	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.819626988370947	35.5941982597938	1.234277514777506	9.016194640405079	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.819858603421661	3.20826388515702	0.1492455131652144	8.201379428917477	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.82087084712265	2.601051912642756	0.1654528367357181	5.997805830828701	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.820094620521008	10.30703532251637	0.5032762118208327	7.813469120558205	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Asp-3b_2	2.820281325159595	10.00203116584749	0.4486384355087601	8.505662076662682	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Asp-3b_2	2.819715311560351	44.24085145390399	1.813879704024304	9.133079563996857	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Asp-3b_2	2.819845502451058	26.03759812094577	0.9367572467041538	8.78239190174521	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.156229095495245	0.1036492542339962	0.01347779865128796	2.934029176084965	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.152981266924273	0.1136242656736114	0.01276586396109695	3.395771741146612	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.149379298905941	0.2512468976604258	0.02579589533393245	3.715919797548957	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.159544012187524	1.042413371000514	0.04459284452555771	7.538183709023871	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.153131162904067	1.011042298003171	0.06520858889004418	5.915368353592023	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.149517979874933	0.3726969144055956	0.0246555136903587	4.874540263482849	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.158086937287283	1.585745047385027	0.04112017984412687	12.43570119867977	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.141247511719284	2.540143111395166	0.1139347183711353	8.505830330572385	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.140251148562955	4.615202087359521	0.1581605916279424	9.409885992238486	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.151404230633409	1.93792205373573	0.0927427663457702	7.972105743253883	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.140957230711074	4.691960002620371	0.1365126571666941	12.71385868373302	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.150584909127668	2.286669447126362	0.0902814340443221	8.167645133894121	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.136710437139788	8.053756406369004	0.1571900683349718	16.52210231346096	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.143799664380797	8.425616479872588	0.2607897769985492	10.41844837432873	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.132800292282473	6.983049741745247	0.1173177037967418	19.19435406277344	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.021744516707652	22.06894386255647	0.6468850609676018	11.00135928852649	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.021631926811311	13.86164678500875	0.5513726271043137	7.206758529516924	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.022507890723794	27.5955393912398	1.072074245075659	7.581989785721841	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.021130286986279	6.419321614968504	0.3103625537579967	7.891089836262179	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.021832775654934	9.568299881092738	0.4477659100864845	6.869533535850367	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.022494445167146	22.69782602812562	0.942608332418343	6.949217190071658	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.022360127250291	26.85240902143821	0.9238168391986669	9.373230558487046	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.02228907808356	63.60349750162142	2.287194891048105	8.182553942820094	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.02180832056978	63.830559711753	2.387336232798889	7.884694928243274	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.022283944626391	26.6111060726222	0.9503270122745594	9.02204261551181	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.021690671082755	30.78794407336211	1.069406971426792	8.50151237353358	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.022327960036489	29.31010020040567	1.104230214482948	7.455679223091895	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Creat_1	3.022135430805161	50.51317427209832	1.692389677445693	9.624899713024279	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Creat_1	3.021937108827393	34.73087058309617	1.250659966820474	8.95505672937255	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Creat_1	3.022421540412753	35.10762453116852	1.279050291201699	7.833883649713473	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-0.0004637290185186328	37.61725843705584	1.519542024387287	7.301565392989794	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0004092019679480953	41.99805190588003	1.514744407333912	7.739461366215718	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0004653739506454596	35.88236746238278	1.463978905132575	7.229159788774457	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-5.666717143349121e-05	42.9253050159644	1.515557660881938	8.12376789179933	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0002932959195349738	34.32303940093514	1.504397495726313	7.040899782953128	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	1.045980658887546e-05	37.78661007547808	1.425063039993001	7.544041060913254	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0002948786248479805	38.94464740956362	1.527991595636468	7.517412200721605	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0001831948351772453	35.69420731081437	1.446001657095457	7.275999167519928	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	-0.0002627588395306105	35.44755959748647	1.391192741442057	7.406371107640224	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0002069353906502143	36.05418930566425	1.43643493971062	7.252780779291807	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-8.080938430513843e-05	38.93964423341755	1.496739058065639	7.462124114986026	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0001819488669577838	37.40361306492668	1.480467241384818	7.451716215663599	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0004548673854484777	35.25374909910531	1.435400825412314	7.243920433439379	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-8.090119696767973e-05	36.1201667291598	1.420666047460102	7.367454195669163	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0002037748070839671	35.52595127156548	1.408744024947117	7.245731032396458	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.149291180964863	89.59550936378146	1.282855565906699	20.01075911976954	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.153512805067282	74.29584754587596	1.660581942769893	17.06949288281531	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.156203629929534	50.48547612436968	1.225060866382885	15.72263789089007	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.156943214804866	19.03822327342774	0.432298771222543	16.35504798913436	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.152980522957211	61.88324556621865	1.018349177465395	18.49628650999089	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.152478355511361	77.77603260978822	1.579023959135457	16.56578801142448	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.150168285985509	79.61322302364425	1.590579238204036	19.09615069494255	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.153209214350832	199.08580201445	3.794843428513633	16.96175308371436	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.14892468764654	134.7579395741939	3.464982084075358	10.30392630151451	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.153676890878806	104.6541889884657	2.390794957543346	16.7005486771929	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.152807408872675	94.87008917397327	2.159751598863731	16.75871551696269	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.156035181175116	119.294939091807	2.835054552473081	16.0537727234913	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.154955055192606	132.0418264359377	2.890631726064066	17.4274205428413	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.148465944690485	112.2420691136259	2.796672224607866	10.53036616234651	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.15079581757356	124.8067797173537	2.229101584235642	16.49333343019292	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.161532797410604	55.29746310220995	1.961138222139843	7.879439777138451	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.161158652226701	56.9822234968367	1.869088149258919	8.583848649662096	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.49939	7.253922	0.200479	10.25084	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.50157	9.948096	0.230385	13.774301	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.49316	6.917667	0.231239	8.669619	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.49134	6.307441	0.150243	12.544513	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.49732	12.487253	0.183468	20.617097	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.49038	6.342658	0.196651	9.429685	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.51495	25.158811	0.510884	15.88033	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.5148	74.171656	0.865347	27.6401	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.51228	138.045192	1.583609	24.360099	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.49191	3.337223	0.188758	5.863062	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.51219	22.31868	0.333794	21.799654	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.50047	26.513545	0.575207	13.285552	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.51574	61.630281	0.735347	25.8162	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.51217	147.617989	1.674449	26.855973	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.51239	74.623883	0.932454	24.522133	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.52182	28.52186	0.395141	20.338338	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.51659	6.839791	0.324572	6.725893	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.5042	3.168082	0.19134	5.105757	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.51424	7.171403	0.207048	10.727299	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.5169	5.304596	0.217711	7.249792	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.51634	20.829062	0.503891	13.894477	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.54254	26.376635	0.496595	15.427044	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.52893	0.25905	0.037565	2.075306	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.52885	9.639565	0.664829	4.094382	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.51445	31.490313	0.511037	17.393609	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.54168	27.928183	0.490541	16.698962	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.51638	11.92608	0.603902	6.156217	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.54494	51.399304	0.672978	21.488537	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_2	2.52852	3.624368	0.35	2.992375	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.52855	2.324351	0.205195	3.168261	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.55469	15.781946	0.283347	17.810417	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.52706	2.187384	0.261475	2.789159	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.51666	8.647225	0.381409	7.740896	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.54484	6.15526	0.147784	13.147837	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.52978	1.147293	0.128388	3.106857	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.54181	15.480699	0.428816	12.574441	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.54429	53.381627	0.723298	20.80505	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.54013	34.767384	1.500405	6.818736	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.52794	0.52245	0.08	2.068475	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_3	2.52869	5.925702	0.449422	3.744614	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.54449	112.746671	1.653159	19.682523	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.54359	58.794361	0.994776	17.980559	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.54044	19.971352	0.351797	17.536549	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.52757	4.215727	0.261018	5.022601	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.54098	4.835024	0.221288	6.679332	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_4	2.56496	3.297081	0.151138	8.322866	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_4	2.55557	50.444125	1.124171	13.043033	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.54361	31.026753	0.528902	16.541203	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_4	2.54279	54.900265	0.915738	16.861748	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.56625	2.374887	0.12701	7.133792	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_5	2.54006	8.293678	0.331427	8.037493	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_5	2.55273	4.618029	0.195043	7.635177	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_6	2.55758	11.421897	0.268748	15.162793	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.931287127752228	2.70261994086061	0.09863481980127911	9.301880881187483	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.926218179162584	1.569058774368587	0.08450343253914222	5.556746662194099	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.93091397753795	9.745144049236467	0.174066707849196	21.08181057093392	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.920609466437736	0.6953177359889536	0.03689932508616742	6.158131846577569	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.927896784404542	3.505342732107228	0.1114819733284882	9.77182464042034	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.925023495617324	1.563413325125026	0.09177603089674613	5.506593796708958	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.928855622829939	10.21841656855393	0.2697269523889037	13.26802764070131	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.930833601722593	10.62025953751086	0.2702130289696074	12.87621797246827	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.929069270842595	27.81436439423291	0.645214128891351	14.7385686198027	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.935568444842951	7.24070456541953	0.1484620327323621	15.3269028350006	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.922682254981047	19.79843429635838	0.2794462448002534	20.00421872363626	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_1	5.911579004165952	5.449164758989069	0.1721978362509922	9.889075860752973	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_1	5.929784347269884	28.71035213084742	0.6025985118517732	15.03948834577269	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_1	5.928560777944394	19.63831479671124	0.3986295356569877	14.95184950646714	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.932860018053208	2.803128586949413	0.08928439934134862	9.414408073537496	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.935485265403061	1.394817671686173	0.06515012687032981	6.615993655153057	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GXP-1'_2	5.946134574118782	1.679750535927096	0.064907558821564	8.205212609465589	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GXP-1'_2	5.938539782179619	1.608609934601736	0.120825998601805	5.079346276597358	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.936351451696406	5.113543280599656	0.2235330009911305	6.526396620420085	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GXP-1'_2	5.934329211557372	14.62107820595851	0.3888952901124324	10.60363472923907	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.760025827641472	25.17506850295877	0.6929203579573678	10.19215571652905	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.759714677389127	224.1363667608425	2.615712679232502	24.57756600022601	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.760258308639341	224.993147844928	2.828272164431259	22.80787961806124	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.761043254436309	65.87986549817177	1.197887082514422	19.56418326005234	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.761624537733848	101.0694850239853	1.648384724500743	18.90713307771566	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.759974041804866	290.9702253545356	3.627817983892386	22.71479077808985	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.761162418130389	315.0337186689889	3.846061158370257	22.86450492011697	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.761893477932118	531.9516873871991	5.830906939071331	25.46578270957318	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.757436305649711	734.7091565635808	10.39670446421902	24.28017288876276	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.76184255479392	277.9209057782785	3.464233864438829	22.39416955610133	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.761229846915926	252.9926702969627	3.034569489722442	22.92037384291498	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.759315839991125	502.1644442637981	5.943304824559947	25.12906867864282	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.760431358328659	650.3889524675983	7.144348962509186	25.36886753968291	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.747272281897522	199.1862984884959	5.206113185926712	10.62652285285989	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.757104000802436	646.8589331310019	7.100761841975294	28.33520079497166	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.759700298526929	342.7199566812519	7.812550523199672	12.24644844414257	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_3	3.772951317401536	172.0681354707996	4.773107821918094	10.63835064415811	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.134703533067733	34.50598977439182	1.708529066322289	5.693984464155454	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.134831306393237	27.57978223045382	1.269634469213646	6.455587095078235	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.134170645786095	23.13684068512116	1.200965769531344	5.798866721174438	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.41608	4.759985	0.28	6.027027	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.43024	20.04082	0.413907	14.108345	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.41747	2.717641	0.162595	5.729256	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.41846	3.074947	0.16	6.65162	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.42794	13.122144	0.304815	13.169062	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.43042	24.778008	0.5326	13.636106	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.43248	14.636343	0.491766	9.312519	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.41859	5.081264	0.19	8.573546	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.43012	32.906237	0.67	15.790384	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.43083	8.311473	0.320484	8.363037	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.42039	11.485891	0.373841	8.723572	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.42923	33.909866	0.71	14.099891	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.43181	51.578868	0.77156	19.738251	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.43008	44.277034	1.03	13.862234	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.41997	12.244707	0.517202	6.878375	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.43041	7.266877	0.33	7.791031	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44676	10.035238	0.35804	8.18657	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.4328	8.567869	0.333406	7.417611	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.43176	4.875771	0.20225	7.236961	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44686	4.409033	0.229066	5.916698	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.44836	10.717942	0.397139	8.60294	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.433557818188985	14.98142430970238	0.4310247429172966	9.59965985364781	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.43356	12.770306	0.529678	7.560673	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.4468	16.146404	0.722432	7.207268	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44697	11.452708	0.395187	8.494006	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.43179	1.713279	0.157663	4.145847	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.44702	14.725686	0.622475	6.947454	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.44679	6.205841	0.347672	5.147248	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.44692	22.00786	0.889866	7.95906	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.43232	17.961214	0.72607	7.178028	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.44476	4.785499	0.25	6.475648	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.44767	14.188738	0.432978	10.567432	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.44457	5.005695	0.189547	7.725982	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.45996	3.445739	0.159814	6.848779	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.44577	7.163356	0.312669	6.776471	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.44676	9.798568	0.441169	7.190931	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.4448	21.323592	0.448031	13.734802	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_3	2.46216	5.726499	0.312716	5.90515	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.46232	4.584265	0.185419	7.972736	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_3	2.44665	18.556383	0.740363	7.244349	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_4	2.45805	5.035586	0.202993	9.46417	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.46279	2.948995	0.145884	6.518672	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_4	2.45943	2.193088	0.145819	5.24114	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_4	2.46075	7.265533	0.349866	6.696653	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.024648497796341	70.35371807559969	0.783340391662563	26.75271639844259	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.026232848426169	111.9907377506303	1.583608906829798	22.31110683021243	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.03040200044128	92.47415339871053	1.172514091206577	25.22992500106201	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.04260573865951	55.19931379304206	0.5284114864250254	34.57534752335825	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.026988163433992	41.3981501602273	0.679245247525322	18.17999580483908	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.028142482846087	102.3323584353506	1.421113264302738	22.35397235102659	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.026274032301713	155.4660503504476	1.90701373423437	24.38200161899935	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.026789467116941	221.725413123873	3.162938012294781	22.60563506498117	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.026556192304967	271.916091053633	4.190188739202787	17.8262105008422	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.029332824182744	177.3196298956656	2.218173364291764	23.87143345670687	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.028214153664915	133.7240383729551	1.808346481519127	23.1386271604444	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.029375314299337	243.9834742388038	3.200380420281938	23.28763207061932	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.029999251279004	288.2915555009535	3.383786988563314	25.92624937506041	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.026014633833252	350.5169270605696	5.41681158518631	18.11516732954019	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.03031983613484	327.7691681367274	4.202548751060109	22.12386343284989	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.042494649734532	15.58261611783949	0.8251785004771153	6.178556478640699	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.046732364064338	44.73063650994729	0.9655481500151755	13.73373953971641	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.04462271214062	8.926616282756166	0.4683215550041077	6.280879571433308	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.043613413264009	9.740941355682557	0.4961325062037418	6.171930126782286	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.043923129060665	19.28898749142624	0.9445776375230277	6.022197134706336	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.043078766183947	11.29055197900652	0.694097276686368	4.67057027762925	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.043506173324343	39.21628267300628	1.882164173368088	5.947330335045582	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.043171884065246	123.2119733876948	3.088392354323883	10.7833214383213	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.053050949320216	17.68437095444304	0.7167043064231551	7.255007502922601	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.043721434371402	8.052403341653553	0.5458255563978396	4.512400896487082	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.04384380277968	24.64798083652469	1.065815102841508	6.79397731333472	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.044018159526567	29.07951254511108	1.188510178369719	6.995216944802963	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_2	2.042779885585742	164.6408690579546	3.464873837225252	12.27701323767036	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_2	2.053605524179715	128.263180726977	2.106239189050124	16.90317211456791	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.053752459948703	9.724954235940924	0.8123290286676206	4.482552029586247	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.068335465971264	30.50139750387656	0.8315118324681211	10.41748793493992	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.054932646266017	12.94166718924414	0.6264888897524296	6.833900397689502	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.053688652268789	7.517323688448318	0.4924438941863937	5.683020383425902	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.054504792931609	19.93972340057918	1.072288554578208	6.247994060392199	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.053999077313316	13.4929724076138	0.7607000806482493	5.517929168647973	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.05407162217063	22.8651454889376	1.60190517482996	5.39318975955751	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.055270845147775	72.72108812982172	2.461684702868802	8.237771544630519	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.068687513312829	28.96170013269496	0.8996368103408934	9.566290706642505	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.053629788436103	12.84640027209946	0.6964915265287176	5.775635419564689	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.054049559251805	29.00877505394023	1.322011956630129	7.253449973684732	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_3	2.054229225406409	25.3027526907355	1.259078494943951	6.851913643832195	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_3	2.054943177191591	87.45920406242529	2.791521762327329	8.595518433774592	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_3	2.069319061183367	34.90919747549822	1.132001799899059	8.007629664568988	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.066910988637299	18.55165343463259	0.8914661887247949	7.939537700819674	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.068575775610829	27.09078791016285	0.8017859410969277	9.455376804198186	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.067248735625085	15.65378857472088	0.5534958368365962	10.07027483645857	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.068944545563856	34.87381223010373	1.11273979297565	10.0729326842482	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.070517750518851	56.60648117066155	1.331628601446178	13.09143243633882	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.068616983600024	48.02124261291491	1.858141163575099	9.378195050383212	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.068396826930652	71.68383866131579	2.356149450003945	8.33183143341019	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.068318601405155	21.04500079358349	0.7918208052373608	8.60133987934758	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_4	2.068007430943984	60.1147660608497	1.717320085289642	9.948089137403969	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_4	2.069158428888403	89.05024676652593	2.129732064714665	12.04003735283449	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_4	2.068309314656458	93.93232667086863	2.740882343617473	9.316695980414488	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.088057613459128	11.90086545734289	0.605804774892276	6.60190725015936	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.088914504930298	39.17365753798001	0.9621283836069088	11.4610085846434	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.090146364528917	30.93122121486378	0.5876478498329856	15.97026887309249	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.126518733731267	104.5326776059004	1.128309819709448	27.12523302777377	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.087959544735784	11.29242408284402	0.4245047218913753	8.578208033743618	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.088954336895105	21.72862144633422	0.8345973926402354	8.395509749635034	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.121888261561978	205.9067490953182	2.693881989847572	24.00802408085912	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.088038710217612	73.76290856935387	1.943613572844629	11.11535864347816	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.125068628245793	933.710443408735	8.661514551865526	29.93519333653441	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.089533396610022	49.64322791383187	1.146434453265209	13.08637872119238	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.089567607846337	56.80691214728226	1.214224298889635	13.34336082759342	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.089476132071522	84.31271254704995	1.463774464631146	16.49613420969565	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_1	2.088648674544196	58.13506320726982	1.425175813119512	12.11618788101337	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_1	2.124145975635495	876.9636023569307	8.925633964445932	27.89263094748006	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_1	2.1242528169057	580.5879160169823	6.176463346709895	25.55438075080234	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.122448132465689	139.7827400915713	1.587834465271486	25.56414696216082	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.123437952727178	138.3119579241978	2.256716739765052	21.36063553164084	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.127318494290382	179.9177363633884	2.420539801979388	25.45720965574271	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.123743379623703	103.5085707786381	1.457972180254735	21.17617456470621	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.123423922621568	194.4370031302256	2.832974271848643	23.4398115245021	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.121507149939523	273.030177158537	4.104313081096254	19.0894510475232	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.121475274491218	139.9360793284166	2.387224344637421	17.29462550842669	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-b_2	2.121228067270362	132.4005857256305	2.372296041763019	16.45282918842032	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-b_2	2.126408048056267	370.6426547553605	4.952661116411837	24.36715498696983	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-b_2	2.124949880456565	387.6686968854661	5.304745233572735	24.44299894437551	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.332379024412891	142.0703752800991	1.688097952502873	24.54771185921145	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.334424539103094	68.56020437857511	1.070044193074938	22.25038112737396	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.335248246574857	79.34692313563647	1.225325866477899	22.26439691659397	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.337069122974853	40.90742596342338	0.5913971566904974	20.99605531498199	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.337845591711528	34.77717197214243	0.682076849419575	18.75548974433183	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.335795458355477	122.7111716656768	1.913385645267345	21.12306274458801	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.336031642140857	92.97006185705109	1.265941454756415	22.68567723636552	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.335222073408135	119.1120424152886	1.801782345752251	21.98837026897577	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.333553122096892	445.8045176451046	5.85940148774174	21.42694727161908	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336272956420877	51.67121832040454	0.9048602936264175	20.05572891049558	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.337494230436992	55.9390387892403	0.8194081558802996	22.16356094652619	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336833348869059	211.7167766327071	3.21121007091581	21.6373804553459	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.33582433191243	169.6136764303406	2.435306835082629	22.17207856609762	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.32212504688855	29.68959624732609	1.175501536995142	6.929603985640738	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.335804149521526	307.3704119761782	4.607762000341851	21.22488351347768	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.343972638749039	26.03884598228892	1.069102060796658	6.868757275038822	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_2	2.334450632149593	463.3400674998438	6.873472727642322	18.31746193406229	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_3	2.34402491588203	62.06681691695094	1.947822965998175	8.703213597696697	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_4	2.355331566221668	7.344409749290556	0.4908606996833282	4.206946557698183	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.408144509235319	23.3358720541129	0.4819154235335615	15.60786592082041	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.402118121971136	4.492755644497755	0.1105952579068781	13.09990701278188	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.410190956473467	5.796185464082209	0.08398348973509694	26.33083355703364	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.410586385080602	14.31903344064345	0.2350062067446683	17.05464862263971	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410201319422563	11.32240653025835	0.2440837095727777	17.69769029492634	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.412108147390023	29.14574250011503	0.5506443749475202	17.05851648758392	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.408944441204477	21.11029536742655	0.5318032795012332	15.14471211396326	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.429341593093776	10.59996241513876	0.1324410779570043	30.53485626702657	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.413588325449069	2.432862262331181	0.102834746198593	9.025988876982893	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.400754985002895	4.648475861234778	0.121552258276809	12.33216902008916	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.392708907726549	6.164798195631291	0.100524627218349	18.7401244432614	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.413979933786033	11.60134176697883	0.1734036818774791	21.57455399962468	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.417112155205012	7.800368993199361	0.2018738201039682	12.46025889641968	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.4113292850104	36.71545819608574	0.7011253807354239	14.7172113377269	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.414733042548743	2.588869624673068	0.07896810399432105	9.755561640394616	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.086669184441352	4.736025866647908	0.2078269152111212	7.225750554802252	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.07145331755837	7.427576457352986	0.1822920726282751	13.39411789073413	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.089806793313806	5.700384466829521	0.2673298061509369	6.316903434154209	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.097545167184109	3.962162137271919	0.09722285846985612	12.05755339695821	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.11051	6.700949	0.118906	15.730926	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.087867380522827	17.89484569966194	0.2732651979859959	20.94685112171707	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.0918332861891	3.407559677104192	0.2073835255158023	5.029824724055658	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.090077912487548	5.314845808717966	0.259398719253495	6.111987059549657	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.090998567736801	9.472600364069027	0.559462955996088	5.138385090010566	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.092073743165894	16.24205191680915	0.3024658282835251	16.86492310421319	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.097903105976459	13.65579237071422	0.3371547900036271	12.28577523459627	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.100423743060688	17.35175247831351	0.3586352177324838	15.5847942638519	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_1	6.089708283925872	6.277257396108193	0.2579476434793655	6.919232819466176	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_1	6.090673299119566	12.07883110248375	0.4954132452971867	7.019890297933084	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_1	6.097811321569527	24.2670925402313	0.5031264817954755	15.51071042039835	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.098897848411931	4.283293315400059	0.192305704270351	7.429676594154677	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.098036597458994	12.25820260979646	0.2585267229447985	14.83614483663335	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.099342212100212	7.969859082231506	0.2736537423782465	8.467395102961618	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Inosine-1'_2	6.106993254538853	1.185185176905815	0.08961463612641406	3.886107673894829	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.099628720512936	6.060669463006789	0.2248511080915775	7.970121356894171	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.104883714527332	12.26198006319232	0.346232658996465	11.39773910182877	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Inosine-1'_2	6.100457459177017	15.86967319515681	0.657712229028469	7.042671110326551	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100875627301998	7.04106484122688	0.2794425698414019	7.685264460741981	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Inosine-1'_2	6.100540618835257	8.348384049802144	0.4690742534812397	4.981661167457878	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.094483534368223	28.52402453034734	0.9334240459643615	8.096199325144841	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.09499625771317	51.22778836244171	1.491520111779407	8.888962501410003	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.095900258989575	65.39331646535149	1.827256418284932	9.129803040109003	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.100801695744914	60.4790958353294	1.121240056616188	19.86727014347142	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.094987807322658	37.40901453691273	1.308872163611305	7.721665247536937	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.095153054319377	103.490160419331	2.986408879092201	8.96196818475424	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09550165968213	83.8518367716471	2.584132757788411	8.821348832165311	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.096255451208748	105.2158541578006	3.511203865291597	8.195153689935808	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.083467826207979	74.68881019380855	2.344975789919817	8.683303037293557	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.095448426829133	74.42456134545732	2.055928672664435	9.224388620768135	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.095609686838116	64.96522198999408	1.807488593174473	9.197763010074153	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.095322056112876	151.3091953075205	3.811826296194816	9.871100594643375	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.095987807322659	116.104727021371	3.655213431509984	8.506255572874604	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.083375539274873	47.74246913975532	1.621560844664681	8.21850030126571	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.095533778396324	127.6359096932463	3.708878132498029	8.876035724089412	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.107060508628747	23.50933061495876	0.8468999480984405	7.561330016096924	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.107557066523357	32.31717694258624	1.247941111685676	7.140930398032999	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.108519453225874	48.55587245923275	1.583493544641922	8.04105084425808	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.108146883753797	56.39065114860286	1.54518356116561	8.983480995304149	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10823358930586	65.16592008819396	2.447583803087187	7.413804320435629	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.108428668797311	53.39580351520735	2.119990386467503	7.079550717524199	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.108891209962839	78.69318722702184	2.978047185177978	7.343052231923165	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.095965868306241	182.9107274121574	6.306056000044697	8.019895032772679	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.108381532975883	49.13074186872397	1.791530237734553	7.591751713237366	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.108235107824458	36.83131554656045	1.444439192541929	7.109805410122758	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.108261901018019	91.78425570613096	3.233909417718974	7.715739860426759	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.108589553008426	96.36320887396778	3.123717273445754	8.173139459609693	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.095953842959849	143.0412838198787	4.744690077078236	8.266490453590233	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10853943205998	90.38733361898704	3.215466502312531	7.644568450653861	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.108415823952066	156.6379122294578	5.721473178096772	7.686971175174987	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.108415823952066	129.5478137666256	4.511185623082992	7.994998180324101	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.120843840581474	15.25680261317532	1.109025364021192	5.00466800455981	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.121139342644339	18.18376932235291	1.076980611488376	5.686216530046232	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.310118337533336	443.9856250747171	13.27566712228201	9.335412298662535	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311467453969377	536.733801772798	18.18418294784332	8.395715915784118	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312526577976947	664.9114994705113	21.48205043284672	8.697138520885634	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311798534764628	326.1882766334254	11.77792304025277	7.94357896009571	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.311921472841726	409.4948555931666	16.66490697978276	7.294917970885081	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312112082335399	1135.969705154974	35.84089462027073	8.847261344808594	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.312167849670818	869.5147432657562	28.9048930795943	8.484270244934965	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312658256709715	1129.415272420372	37.91557193769182	8.497853956776533	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.311806493963727	2171.856155960106	72.5103349593451	8.478097694400136	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312097920129235	608.1931527928477	22.03361058197781	7.990084305662761	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312112082335399	630.3198900227179	20.75857397555384	8.659738086118741	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312210513733497	1416.074159549259	46.8557903409278	8.568309309044471	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.31224323652929	1177.056467134544	41.26325530932392	8.139548562840027	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312054051098275	1694.467537091587	57.23223522013532	8.456889739179335	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312112082335399	1284.352084817279	45.32506953116488	8.139388865886017	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.322855615882959	182.1567325631485	8.202326756220547	6.550126915272285	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323672043632023	291.6928575522876	13.44917824533053	6.583317989278024	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324705191647825	315.1963083279917	15.1867810156974	6.37792041602778	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323628333813277	272.6170108594787	10.58461599581037	7.630526719575856	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.323809213096458	365.1889209226929	15.5885965777176	7.29537819665605	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324288380355485	508.1581388671846	24.49695533443334	6.350874538833357	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324255277516204	436.8770814809183	20.69371435389144	6.534718933780787	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.32486600804177	578.8030817810292	27.60391289081937	6.437316234365298	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.323871032833825	1115.566557110482	53.28358504281496	6.514606320839548	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324201084001252	368.5244647032537	16.80134983013023	6.660382580633939	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324288229051052	282.9489259414894	14.25447107088628	6.206029328823458	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324360159814256	757.4534869457848	35.30365403568566	6.595868691832481	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.324372217700022	778.9370981482373	33.23008912625362	7.06658363587731	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324200830564303	921.4242855572096	41.93222562631578	6.667799602869542	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324210035212813	772.9296983751995	35.19288747690807	6.685116825622472	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.007081092275457	3.637313198294509	0.1042892336397198	10.14101871995356	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.016774502525975	4.088272854570602	0.1205564828314524	12.93798839447953	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.001874046760167	3.211046768923643	0.1499163632298287	6.647003518367023	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.012220100945474	1.747131027354005	0.1032051248935673	5.079616322516759	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.014282673027881	2.719239133883816	0.1644203832792163	5.434090149411054	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.01814653650522	32.3080823514015	0.4818482198160365	20.0230188198928	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	5.998411730802242	4.166181960245771	0.1678636754437675	7.575314968349509	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.01299888460334	5.681132637138059	0.2079894698368003	8.50795945219207	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.022160493684757	11.00162654812385	0.3266065856026903	11.50626694954116	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.019598634582869	18.11556985781245	0.2412623430933525	23.87786071427492	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.017683936126883	22.41886383272745	0.3648108293609739	17.54027615537652	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.015584365230501	11.79868835288569	0.3062289383568031	11.5654788138849	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.02236802733039	1.758348227481662	0.08139872850236778	8.241464226406563	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.017591119309855	4.241637134462142	0.1255273511642983	11.72174476766336	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_2	6.025493309306491	2.949524850344091	0.126357573115088	8.140020608691318	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.026541631515345	5.651733515909628	0.2153232210851597	8.823080550207216	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_2	6.017770458897939	8.703587689151576	0.173052924750181	18.50220750483141	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_2	6.027334892293325	2.515391670476155	0.1349387028826287	6.346989089990264	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.065167785699536	6.523299397613828	0.21975086056547	10.76897430119879	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.067595646391942	10.66777165194708	0.3396036534369226	11.24049280798209	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.062872736832136	2.903942066164263	0.1071216308793864	8.112300372483055	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.065134257955811	1.947033298487365	0.1071378737344201	6.045493275985461	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.061300559105844	5.284498940150844	0.1687466940367784	11.94767411670544	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.063590711254874	13.30949563637122	0.3721656717229318	10.17293635086427	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.067820606135276	32.10629808581076	0.7135665463519866	14.2916816793539	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.067239301556606	7.449618502185752	0.2366847626848215	10.96258173160243	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.07155041529365	12.31152251966899	0.2859574347825177	13.42749440993608	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.067718693009105	16.64509096936022	0.4228658462330238	12.64069758171521	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.068346455344313	17.28466439529693	0.4954484732962579	12.18928667949318	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.068113622378509	29.57735742040756	0.6425701266037995	14.60768800331857	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.070651686774293	14.31076282188462	0.3438875587920858	12.61115408901928	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_2	6.074188523321681	1.404698981844397	0.07651589103509282	5.550632676174104	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.079070832042433	4.344173941976536	0.1173955221927309	11.32843931746532	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_2	6.079188013857375	3.547175231591351	0.1782290661653667	7.585189546635494	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_2	6.073798521545084	7.021055936791549	0.313943706543812	6.269382717355395	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.395052532248512	25.32421543417622	1.03140889569912	7.311892427139557	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.395702183884806	15.70941604655244	0.671768156030088	6.897348696395898	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.397004828102493	24.21693182622102	1.004626859482795	7.434105693002052	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395131922605581	17.83780383483113	0.5732028656078285	8.918516111206541	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396115407567909	16.09895587876741	0.7131048346241867	6.852658930630614	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396039732204512	35.00752876755059	1.515183809064533	7.013114360962835	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.396273768300763	25.29309146585704	1.013175194138801	7.44533801820876	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396682570332637	52.27710879999442	2.186400098112308	7.133614188086994	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.395843686616604	72.61901659461631	3.180161739030164	6.90070672621587	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396013727272309	29.03380727705892	1.122134925423453	7.564068403562061	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396295756489724	23.19298083005335	0.9325020202605147	7.433181614461298	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396008600266005	67.98944569667245	2.809236700656441	7.233463911186213	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.39628077062943	48.74727227671279	2.041775678343805	7.139937923836918	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.395827064753266	49.77501648120778	2.230927818545581	6.705545354464327	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396147090303515	29.96199677302493	1.643881613185248	6.704519685860426	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Tris_1	3.701781339077375	2936.741346812439	75.42663145565703	10.89994255233997	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Tris_1	3.735944218568452	123.2526395036845	3.091300329497799	11.02343572880582	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.979261790210935	4.426202115199312	0.1161981894935675	11.42722673185751	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.981570885610847	9.111652084590322	0.2026724157269923	13.47817825707079	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.990858173442042	9.964591477497981	0.2528731873193123	13.89385825837416	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.98370552901801	4.534836512774683	0.1412991108398904	10.197546871788	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984978375772617	9.517366311263574	0.2400194109594193	12.87075267184755	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.986168852064464	14.45490555417375	0.2960126157664348	17.24916223340696	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.985341017144159	20.74802850500198	0.3286270248154967	22.30259445141774	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.984735482757175	49.38704463528799	0.6748593790598862	20.50203970331775	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.982187446441062	6.351972601637023	0.1920672480498327	11.06655514080186	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.982286396332596	26.51432561517123	0.2498183511203619	32.49789827605237	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.985775033494272	17.06103457845928	0.3274957582248833	17.23396261458565	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.983793645282089	20.00467234132474	0.3761469954807802	16.12878106438409	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
UXP-1'_1	5.982795752938619	46.41410797001765	0.8487424254742637	16.69217988359974	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
UXP-1'_1	5.986030942722436	17.45537279941862	0.4140024062526503	13.7649374007905	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.961534343588367	2.496749010080591	0.1055167741054608	7.937419482875109	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_1	5.951402341932818	0.9149518563570072	0.0753146406838033	3.415034463409094	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-5_2	5.963467275323991	1.63147383154907	0.1134150513106987	4.412232488618624	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.219088842184895	21.73146489633628	0.589358272491976	11.07035220727109	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221079136882319	4.733604661026992	0.1474154644244798	9.738098997344425	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.219257790807262	5.746547077249545	0.2151940572311201	9.82570388365441	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.221807196497699	5.754271532805372	0.2732995567607382	8.032785010892955	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.21939587707896	8.976049729529405	0.3632462463927652	8.552580087821772	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.220739932073621	14.73579067535344	0.6067327642562448	9.265988124445562	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.220090678884069	23.23350356441248	0.7216023983282527	10.2485995223301	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.220329406455077	19.7381891112635	0.7385454879948521	9.715828556747269	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.216436477692959	13.53328454309005	0.3126384820975796	14.36879145053911	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221097312208958	3.877071595571029	0.1636694795401943	7.259972362538938	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.218598715776317	7.315713576319802	0.2535790876613198	9.034162696701108	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.22003931896448	6.266916478144071	0.2050701136658928	9.52213718878904	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.220622449184874	42.14258440600712	1.297339869634006	10.27788871248219	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.220262812417866	31.96034645965855	0.9270153944000934	10.19903412306996	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.212213406879508	6.801066759340498	0.163442562961559	15.87551441085957	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62695	7.686017	0.22	11.266021	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.63786	5.050852	0.148421	10.973889	02_A1_Colon_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62688	6.58137	0.270831	7.836276	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62674	10.18399	0.26	12.630966	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62735	23.875226	0.46	16.325714	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62805	13.17039	0.38	11.176529	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62772	21.091711	0.57	11.93243	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62839	27.638326	0.8	11.140731	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62695	9.768316	0.26	12.115415	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62557	7.780091	0.32	7.744549	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62522	5.837986	0.25	7.530347	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62546	11.770375	0.32	11.8	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62751	33.491287	1.35	8	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.62629	27.343281	0.84	10.496953	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62695	7.686017	0.22	11.266021	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64165	6.636025	0.2	10.602742	01_A0_Colon_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64358	7.792707	0.266728	8.646089	03_A2_Colon_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64237	8.691154	0.281369	9.158816	04_B0_Colon_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64098	3.397908	0.209847	6.177636	05_B1_Colon_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64225	15.979873	0.54	8.442822	06_B2_Colon_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64238	15.981387	0.6	7.75896	07_C1-1_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64234	17.300774	0.57	9.329898	08_C1-2_Colon_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64169	9.041274	0.25	11.365448	09_C2-0_Colon_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64182	9.676954	0.22	14.1843	10_B1-0_Colon_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64204	6.774961	0.26	8.2	11_B1-1_Colon_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64204	10.140417	0.3	10.9	12_B1-2_Colon_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.64267	30.890115	1.219127	7.408525	13_C1-1_Colon_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.64213	26.06909	0.75	10.9	14_C1-2_Colon_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.64165	6.636025	0.2	10.602742	15_C1-20_Colon_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END