#METABOLOMICS WORKBENCH FFB_20151026_9298071_mwtab.txt DATATRACK_ID:398  STUDY_ID:ST000258 ANALYSIS_ID:AN000410
VERSION             	1
CREATED_ON          	01-03-2020
#PROJECT
PR:PROJECT_TITLE    	Effects of synthetic large-scale genome reduction on metabolism and metabolic
PR:PROJECT_TITLE    	preferences in a nutritionally complex environment
PR:PROJECT_SUMMARY  	The soil bacterium Sinorhizobium meliloti forms nodules on the roots of
PR:PROJECT_SUMMARY  	leguminous plants, where N2 is reduced to ammonia.  Its genome includes a 3.65
PR:PROJECT_SUMMARY  	Mb chromosome, a 1.35 Mb pSymA megaplasmid, and a 1.68 Mb pSymB chromid.   
PR:PROJECT_SUMMARY  	pSymA and pSymB  constitute ~45% of the genome and here a non-targeted approach
PR:PROJECT_SUMMARY  	was used to identify the metabolic consequences of the removal of these
PR:PROJECT_SUMMARY  	replicons.  Polar and non-polar metabolites from wild-type, ∆pSymA, ∆pSymB,
PR:PROJECT_SUMMARY  	and ∆pSymAB cells and supernatants across a growth curve were analyzed by
PR:PROJECT_SUMMARY  	LC-HILIC-TOF-MS.  2008 metabolite features were identified in the extracellular
PR:PROJECT_SUMMARY  	metabolome of cells grown in LBmc containing yeast extract and casein
PR:PROJECT_SUMMARY  	hydrolysate.  1474 features were found from the intracellular metabolites of
PR:PROJECT_SUMMARY  	cells grown in minimal M9-sucrose medium.  Analysis revealed both time and
PR:PROJECT_SUMMARY  	genotype influenced the metabolome, with the removal of pSymB having a much
PR:PROJECT_SUMMARY  	greater effect than the loss of pSymA.  Strains lacking pSymB showed an increase
PR:PROJECT_SUMMARY  	in sugar, amino acid, and nucleotide metabolites in the intracellular
PR:PROJECT_SUMMARY  	metabolome, and the loss of pSymB clearly impaired the cell’s ability to
PR:PROJECT_SUMMARY  	catabolize exogenous amino acids.  We conclude that despite the ability of
PR:PROJECT_SUMMARY  	wild-type, ∆pSymA, ∆pSymB, and ∆pSymAB strains to grow in both M9-sucrose
PR:PROJECT_SUMMARY  	and LBmc media, the removal of pSymA, and particularly pSymB, had clear and
PR:PROJECT_SUMMARY  	dramatic effects on the S. meliloti metabolome.  The larger effect associated
PR:PROJECT_SUMMARY  	with the pSymB chromid is consistent with the large number of metabolic genes on
PR:PROJECT_SUMMARY  	this replicon and the greater genetic and metabolic integration of this replicon
PR:PROJECT_SUMMARY  	with the S. meliloti chromosome.
PR:INSTITUTE        	McMaster University
PR:DEPARTMENT       	Department of Biology
PR:LAST_NAME        	Finan
PR:FIRST_NAME       	Turlough
PR:ADDRESS          	Department of Biology, McMaster University, Hamilton, Canada L8S4K1
PR:EMAIL            	finan@mcmaster.ca
PR:PHONE            	(+1)905-525-9140 ext 22932
PR:DOI              	http://dx.doi.org/10.21228/M87W2S
#STUDY
ST:STUDY_TITLE      	Metabolic contribution of pSymA and pSymB megaplasmid/chromid for multipartite
ST:STUDY_TITLE      	Sinorhizobium meliloti cultured in minimal M9 medium
ST:STUDY_TYPE       	megaplasmid deletion
ST:STUDY_SUMMARY    	To understand the contribution of pSymA and pSymB to the metabolism of S.
ST:STUDY_SUMMARY    	meliloti, the intracellular metabolome was analyzed at five time points
ST:STUDY_SUMMARY    	(exponential and stationary growth phases) across the growth curve of strains
ST:STUDY_SUMMARY    	with or without pSymA and/or pSymB grown in a defined, minimal medium (M9).
ST:INSTITUTE        	McMaster University
ST:DEPARTMENT       	Department of Biology
ST:LAST_NAME        	Finan
ST:FIRST_NAME       	Turlough
ST:ADDRESS          	Department of Biology, McMaster University, Hamilton, Canada L8S4K1
ST:EMAIL            	finan@mcmaster.ca
ST:PHONE            	(+1)905-525-9140 ext 22932
ST:SUBMIT_DATE      	2015-09-17
ST:NUM_GROUPS       	20
ST:TOTAL_SUBJECTS   	115
#SUBJECT
SU:SUBJECT_TYPE                  	Bacterial cells
SU:SUBJECT_SPECIES               	Sinorhizobium meliloti
SU:TAXONOMY_ID                   	382
SU:GENOTYPE_STRAIN               	Rm2011 (SU47 str-3)|SmA818|RmP3009|RmP2917
SU:HUMAN_ETHNICITY               	wild type|Rm2011 lack pSymA|Rm2011 lack pSymB|Rm2011 lack pSymA and pSymB | a 
SU:HUMAN_ETHNICITY               	tRNAarg and the smb20996-engA operon from pSymB were integrated to chromosome in
SU:HUMAN_ETHNICITY               	strains RmP3009 and RmP2917
SU:SPECIES_GROUP                 	Microorganism
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1a	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1b	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1c	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1d	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1e	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1A	A_M1f	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2a	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2b	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2c	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2d	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2e	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M2A	A_M2f	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3a	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3b	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3c	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3d	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3e	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M3A	A_M3f	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4a	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4b	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4c	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4d	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4e	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M4A	A_M4f	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5a	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5b	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5c	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5d	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5e	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M5A	A_M5f	strains:ΔpSymA	
SUBJECT_SAMPLE_FACTORS           	M1AB	AB_M1a	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M1AB	AB_M1b	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M1AB	AB_M1c	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M1AB	AB_M1d	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M1AB	AB_M1e	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2a	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2b	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2c	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2d	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2e	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M2AB	AB_M2f	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M3AB	AB_M3a	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M3AB	AB_M3b	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M3AB	AB_M3c	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M3AB	AB_M3d	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M3AB	AB_M3e	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M4AB	AB_M4a	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M4AB	AB_M4b	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M4AB	AB_M4c	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M4AB	AB_M4d	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M4AB	AB_M4e	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M5AB	AB_M5a	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M5AB	AB_M5b	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M5AB	AB_M5c	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M5AB	AB_M5d	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M5AB	AB_M5e	strains:ΔpSymAB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1a	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1b	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1c	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1d	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1e	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1B	B_M1f	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2a	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2b	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2c	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2d	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2e	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M2B	B_M2f	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3a	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3b	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3c	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3d	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3e	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M3B	B_M3f	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4a	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4b	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4c	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4d	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4e	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M4B	B_M4f	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M5B	B_M5a	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M5B	B_M5b	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M5B	B_M5c	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M5B	B_M5d	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M5B	B_M5e	strains:ΔpSymB	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1a	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1b	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1c	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1d	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1e	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M1WT	WT_M1f	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2a	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2b	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2c	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2d	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2e	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M2WT	WT_M2f	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3a	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3b	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3c	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3d	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3e	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M3WT	WT_M3f	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4a	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4b	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4c	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4d	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4e	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M4WT	WT_M4f	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5a	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5b	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5c	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5d	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5e	strains:wild type	
SUBJECT_SAMPLE_FACTORS           	M5WT	WT_M5f	strains:wild type	
#COLLECTION
CO:SAMPLE_TYPE                   	cells
CO:VOLUMEORAMOUNT_COLLECTED      	6 x 108 cells
CO:STORAGE_CONDITIONS            	-80ºC freezer
CO:COLLECTION_VIALS              	eppendorf tube
CO:TISSUE_CELL_IDENTIFICATION    	6 x 108 cells
#TREATMENT
TR:ANIMAL_VET_TREATMENTS         	-80ºC freezer
TR:ANIMAL_ANESTHESIA             	test tube
TR:ANIMAL_ENDP_TISSUE_PROC_METHOD	M9 miminal medium plus 10 mM sucrose
TR:ANIMAL_ENDP_CLINICAL_SIGNS    	n/a
TR:HUMAN_FASTING                 	30ºC incubator
TR:HUMAN_ENDP_CLINICAL_SIGNS     	OD600 values of approximately 0.3, 0.5, 0.9, 1.6, and 3.5 (except for Rm2011
TR:HUMAN_ENDP_CLINICAL_SIGNS     	which reached ~4.8)
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Fei,_F.,_Bowdish,_D._M._E.,_&_McCarry,_B._E._(2014)._Analytical_and_Bioanalytical_Chemistry,_406,_3723–3733.
SP:EXTRACTION_METHOD             	cell pellet extracted with 2:2:1 MeOH/EtOH/H2O with beadbeating
SP:EXTRACT_STORAGE               	-80ºC freezer
SP:SAMPLE_RESUSPENSION           	cell extracts suspended 60%v/v acetonitrile/water
SP:SAMPLE_SPIKING                	L-methionine-d3, L-tryptophan-d5 as standards for recovery determination ;
SP:SAMPLE_SPIKING                	L-phenylalanine-d8, diphenylalanine and glycine-phenylalanine as internal
SP:SAMPLE_SPIKING                	standards for peak area normalization
SP:CELL_TYPE                     	Gram negative bacterium
#CHROMATOGRAPHY
CH:METHODS_FILENAME              	Opt_silicaHILIC.m
CH:INSTRUMENT_NAME               	Agilent 1200 RR Series II
CH:COLUMN_NAME                   	Phenomenex Kinetex HILIC 100A (50 x 2.1 mm, 2.6um)
CH:COLUMN_TEMPERATURE            	40C
CH:FLOW_GRADIENT                 	0-0.5 min, 95%A; 0.5-12.5 min, 35%A; 12.5-13.0 min, 35%A; 13.0-14.0 min, 95%A;
CH:FLOW_GRADIENT                 	14.0-24.0 min, 95%A
CH:FLOW_RATE                     	200 ?L/min
CH:INTERNAL_STANDARD             	L-phenylalanine-d8, diphenylalanine and glycine-phenylalanine
CH:SAMPLE_INJECTION              	2 ?L
CH:SOLVENT_A                     	HPLC grade acetonitrile
CH:SOLVENT_B                     	10 mM ammonium acetate in HPLC grade water adjusted to pH 3 with formic acid
CH:ANALYTICAL_TIME               	24 min
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_COMMENTS             	NEGATIVE
AN:INSTRUMENT_NAME               	Bruker MicrOTOF II Mass Spectrometer
AN:SOFTWARE_VERSION              	Bruker Hystar
AN:OPERATOR_NAME                 	Fan Fei
AN:DETECTOR_TYPE                 	electron multiplier detector
AN:DATA_FORMAT                   	.d
AN:ANALYSIS_DISPLAY              	ESI/QTOF negative ion mode
AN:NUM_FACTORS                   	4
AN:NUM_METABOLITES               	56
#MS
MS:INSTRUMENT_NAME               	Bruker MicrOTOF II
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:CAPILLARY_VOLTAGE             	4500 V
MS:DRY_GAS_FLOW                  	8.0 L/min
MS:DRY_GAS_TEMP                  	250ºC
MS:SCAN_RANGE_MOVERZ             	50-1000 m/z
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak area
MS_METABOLITE_DATA_START
Samples	A_M1a	A_M1b	A_M1c	A_M1d	A_M1e	A_M1f	A_M2a	A_M2b	A_M2c	A_M2d	A_M2e	A_M2f	A_M3a	A_M3b	A_M3c	A_M3d	A_M3e	A_M3f	A_M4a	A_M4b	A_M4c	A_M4d	A_M4e	A_M4f	A_M5a	A_M5b	A_M5c	A_M5d	A_M5e	A_M5f	AB_M1a	AB_M1b	AB_M1c	AB_M1d	AB_M1e	AB_M2a	AB_M2b	AB_M2c	AB_M2d	AB_M2e	AB_M2f	AB_M3a	AB_M3b	AB_M3c	AB_M3d	AB_M3e	AB_M4a	AB_M4b	AB_M4c	AB_M4d	AB_M4e	AB_M5a	AB_M5b	AB_M5c	AB_M5d	AB_M5e	B_M1a	B_M1b	B_M1c	B_M1d	B_M1e	B_M1f	B_M2a	B_M2b	B_M2c	B_M2d	B_M2e	B_M2f	B_M3a	B_M3b	B_M3c	B_M3d	B_M3e	B_M3f	B_M4a	B_M4b	B_M4c	B_M4d	B_M4e	B_M4f	B_M5a	B_M5b	B_M5c	B_M5d	B_M5e	WT_M1a	WT_M1b	WT_M1c	WT_M1d	WT_M1e	WT_M1f	WT_M2a	WT_M2b	WT_M2c	WT_M2d	WT_M2e	WT_M2f	WT_M3a	WT_M3b	WT_M3c	WT_M3d	WT_M3e	WT_M3f	WT_M4a	WT_M4b	WT_M4c	WT_M4d	WT_M4e	WT_M4f	WT_M5a	WT_M5b	WT_M5c	WT_M5d	WT_M5e	WT_M5f
Factors	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymA	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymAB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:ΔpSymB	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	strains:wild type	
2-phenylglycine	0.0026	0.0024	0.0029	0.0024	0.0025	0.0028	0.0033	0.0027	0.0027	0.0031	0.0029	0.0029	0.0030	0.0036	0.0027	0.0034	0.0035	0.0024	0.0033	0.0035	0.0034	0.0033	0.0032	0.0040	0.0031	0.0027	0.0025	0.0024	0.0029	0.0028	0.0026	0.0025	0.0035	0.0030	0.0029	0.0028	0.0037	0.0041	0.0028	0.0039	0.0027	0.0033	0.0030	0.0032	0.0030	0.0035	0.0032	0.0030	0.0033	0.0033	0.0034	0.0026	0.0023	0.0026	0.0025	0.0026	0.0024	0.0027	0.0030	0.0033	0.0035	0.0030	0.0031	0.0037	0.0034	0.0037	0.0035	0.0033	0.0024	0.0032	0.0034	0.0032	0.0032	0.0032	0.0029	0.0026	0.0031	0.0030	0.0026	0.0034	0.0028	0.0028	0.0027	0.0031	0.0028	0.0041	0.0024	0.0033	0.0023	0.0027	0.0031	0.0032	0.0026	0.0029	0.0032	0.0028	0.0031	0.0025	0.0030	0.0030	0.0024	0.0025	0.0025	0.0030	0.0030	0.0029	0.0038	0.0038	0.0038	0.0019	0.0018	0.0019	0.0018	0.0016	0.0017
adenine	0.0050	0.0084	0.0105	0.0082	0.0283	0.0110	0.0119	0.0075	0.0076	0.0089	0.0113	0.0093	0.0090	0.0122	0.0104	0.0073	0.0113	0.0166	0.0117	0.0113	0.0107	0.0074	0.0142	0.0125	0.0335	0.0322	0.0214	0.0453	0.0318	0.0436	0.0246	0.0429	0.0264	0.0241	0.0295	0.0124	0.0142	0.0157	0.0211	0.0221	0.0288	0.0264	0.0689	0.0417	0.0525	0.0194	0.0238	0.0323	0.0168	0.0118	0.0343	0.0436	0.0233	0.0134	0.0099	0.0195	0.0334	0.0324	0.0113	0.0150	0.0171	0.0281	0.0123	0.0218	0.0201	0.0334	0.0210	0.0171	0.0221	0.0441	0.0276	0.0564	0.0643	0.0267	0.0168	0.0319	0.0198	0.0377	0.0330	0.0185	0.0467	0.0220	0.0207	0.0153	0.0236	0.0102	0.0065	0.0051	0.0051	0.0041	0.0159	0.0101	0.0121	0.0065	0.0065	0.0064	0.0099	0.0098	0.0182	0.0091	0.0049	0.0092	0.0075	0.0124	0.0121	0.0129	0.0074	0.0088	0.0290	0.0138	0.0202	0.0144	0.0176	0.0131	0.0099
adenosine	0.0045	0.0081	0.0049	0.0059	0.0159	0.0075	0.0109	0.0069	0.0077	0.0099	0.0042	0.0097	0.0097	0.0173	0.0095	0.0041	0.0121	0.0241	0.0067	0.0154	0.0131	0.0062	0.0150	0.0132	0.0106	0.0109	0.0119	0.0314	0.0244	0.0237	0.0448	0.0784	0.0466	0.0449	0.0537	0.0157	0.0226	0.0183	0.0194	0.0214	0.0259	0.0552	0.0701	0.0540	0.0826	0.0338	0.0298	0.0415	0.0189	0.0192	0.0395	0.0562	0.0421	0.0270	0.0325	0.0326	0.0232	0.0266	0.0131	0.0224	0.0207	0.0397	0.0187	0.0299	0.0276	0.0250	0.0263	0.0303	0.0309	0.0831	0.0460	0.0784	0.0498	0.0221	0.0173	0.0247	0.0191	0.0489	0.0347	0.0291	0.0387	0.0186	0.0188	0.0118	0.0182	0.0047	0.0028	0.0036	0.0036	0.0034	0.0064	0.0072	0.0074	0.0042	0.0036	0.0047	0.0103	0.0099	0.0193	0.0075	0.0104	0.0097	0.0057	0.0135	0.0059	0.0066	0.0163	0.0068	0.0276	0.0102	0.0214	0.0088	0.0194	0.0081	0.0057
ADP	0.0099	0.0055	0.0032	0.0016	0.0037	0.0026	0.0100	0.0068	0.0079	0.0131	0.0027	0.0083	0.0046	0.0131	0.0058	0.0046	0.0067	0.0081	0.0035	0.0025	0.0139	0.0114	0.0055	0.0041	0.0040	0.0046	0.0087	0.0120	0.0166	0.0124	0.0102	0.0159	0.0156	0.0029	0.0111	0.0034	0.0041	0.0050	0.0062	0.0080	0.0073	0.0033	0.0011	0.0036	0.0080	0.0038	0.0132	0.0143	0.0041	0.0190	0.0155	0.0045	0.0027	0.0177	0.0018	0.0027	0.0040	0.0028	0.0059	0.0097	0.0063	0.0045	0.0038	0.0038	0.0035	0.0044	0.0037	0.0031	0.0036	0.0039	0.0034	0.0068	0.0018	0.0038	0.0025	0.0028	0.0038	0.0047	0.0039	0.0019	0.0027	0.0043	0.0026	0.0027	0.0023	0.0008	0.0008	0.0010	0.0024	0.0014	0.0025	0.0028	0.0017	0.0016	0.0024	0.0032	0.0056	0.0018	0.0020	0.0018	0.0023	0.0025	0.0019	0.0016	0.0029	0.0031	0.0047	0.0043	0.0031	0.0013	0.0067	0.0039	0.0098	0.0026	0.0021
ADP_ Na-2H adduct	0.0079	0.0044	0.0014	0.0005	0.0033	0.0014	0.0077	0.0048	0.0061	0.0100	0.0023	0.0062	0.0033	0.0103	0.0046	0.0037	0.0057	0.0055	0.0026	0.0013	0.0097	0.0077	0.0045	0.0025	0.0029	0.0036	0.0065	0.0082	0.0102	0.0077	0.0077	0.0121	0.0110	0.0022	0.0083	0.0018	0.0028	0.0028	0.0043	0.0050	0.0038	0.0031	0.0003	0.0029	0.0062	0.0026	0.0078	0.0084	0.0031	0.0096	0.0101	0.0028	0.0021	0.0124	0.0007	0.0015	0.0020	0.0013	0.0047	0.0085	0.0055	0.0036	0.0026	0.0025	0.0023	0.0032	0.0025	0.0018	0.0026	0.0027	0.0020	0.0046	0.0005	0.0027	0.0014	0.0014	0.0026	0.0031	0.0025	0.0011	0.0022	0.0031	0.0014	0.0019	0.0014	0.0002	0.0002	0.0003	0.0016	0.0006	0.0012	0.0012	0.0008	0.0007	0.0012	0.0030	0.0047	0.0006	0.0011	0.0010	0.0011	0.0014	0.0006	0.0011	0.0019	0.0014	0.0038	0.0034	0.0024	0.0006	0.0047	0.0025	0.0063	0.0016	0.0011
ala-glu	0.0106	0.0097	0.0106	0.0097	0.0102	0.0107	0.0137	0.0104	0.0117	0.0121	0.0103	0.0135	0.0094	0.0094	0.0075	0.0084	0.0091	0.0025	0.0142	0.0143	0.0139	0.0131	0.0151	0.0141	0.0241	0.0202	0.0208	0.0233	0.0231	0.0235	0.0037	0.0042	0.0037	0.0036	0.0038	0.0042	0.0033	0.0059	0.0033	0.0043	0.0044	0.0061	0.0073	0.0071	0.0064	0.0068	0.0079	0.0084	0.0078	0.0075	0.0081	0.0055	0.0040	0.0036	0.0038	0.0061	0.0023	0.0030	0.0025	0.0028	0.0024	0.0034	0.0024	0.0024	0.0022	0.0032	0.0028	0.0038	0.0029	0.0035	0.0036	0.0047	0.0044	0.0045	0.0054	0.0057	0.0067	0.0061	0.0059	0.0058	0.0125	0.0116	0.0115	0.0102	0.0121	0.0032	0.0028	0.0048	0.0048	0.0035	0.0050	0.0035	0.0042	0.0035	0.0039	0.0038	0.0038	0.0037	0.0038	0.0045	0.0048	0.0035	0.0039	0.0047	0.0058	0.0059	0.0056	0.0060	0.0068	0.0086	0.0098	0.0102	0.0097	0.0088	0.0052
benzoic acid	0.0265	0.0246	0.0308	0.0268	0.0425	0.0273	0.0257	0.0288	0.0285	0.0295	0.0262	0.0260	0.0367	0.0293	0.0266	0.0307	0.0373	0.0329	0.0390	0.0334	0.0326	0.0322	0.0363	0.0330	0.0264	0.0260	0.0264	0.0242	0.0254	0.0272	0.0361	0.0321	0.0498	0.0459	0.0410	0.0314	0.0442	0.0355	0.0367	0.0459	0.0331	0.0315	0.0290	0.0329	0.0458	0.0316	0.0347	0.0270	0.0399	0.0374	0.0346	0.0437	0.0221	0.0425	0.0199	0.0380	0.0255	0.0406	0.0308	0.0345	0.0288	0.0255	0.0331	0.0369	0.0341	0.0408	0.0350	0.0300	0.0448	0.0311	0.0281	0.0405	0.0309	0.0352	0.0430	0.0317	0.0319	0.0317	0.0385	0.0349	0.0297	0.0307	0.0277	0.0320	0.0273	0.0310	0.0365	0.0297	0.0364	0.0233	0.0266	0.0338	0.0374	0.0293	0.0391	0.0359	0.0370	0.0315	0.0366	0.0377	0.0299	0.0308	0.0342	0.0324	0.0389	0.0356	0.0462	0.0394	0.0310	0.0277	0.0158	0.0302	0.0185	0.0304	0.0227
cGMP	0.0112	0.0053	0.0025	0.0008	0.0039	0.0018	0.0097	0.0061	0.0091	0.0145	0.0027	0.0088	0.0035	0.0134	0.0056	0.0049	0.0073	0.0095	0.0030	0.0017	0.0142	0.0130	0.0048	0.0027	0.0026	0.0032	0.0083	0.0098	0.0135	0.0097	0.0107	0.0166	0.0158	0.0028	0.0115	0.0028	0.0036	0.0035	0.0057	0.0047	0.0052	0.0033	0.0009	0.0048	0.0090	0.0039	0.0189	0.0149	0.0037	0.0424	0.0147	0.0025	0.0013	0.0151	0.0010	0.0015	0.0026	0.0016	0.0067	0.0100	0.0073	0.0042	0.0029	0.0028	0.0026	0.0039	0.0029	0.0023	0.0024	0.0033	0.0022	0.0056	0.0004	0.0029	0.0019	0.0021	0.0023	0.0035	0.0043	0.0016	0.0015	0.0030	0.0011	0.0019	0.0015	0.0002	0.0004	0.0004	0.0021	0.0008	0.0015	0.0017	0.0012	0.0014	0.0016	0.0029	0.0063	0.0012	0.0017	0.0011	0.0018	0.0019	0.0009	0.0012	0.0023	0.0022	0.0042	0.0041	0.0028	0.0005	0.0056	0.0020	0.0072	0.0017	0.0017
deoxyinosine	0.0007	0.0007	0.0006	0.0007	0.0004	0.0007	0.0009	0.0004	0.0026	0.0006	0.0005	0.0013	0.0009	0.0010	0.0011	0.0011	0.0015	0.0011	0.0015	0.0020	0.0017	0.0014	0.0022	0.0021	0.0022	0.0024	0.0037	0.0033	0.0032	0.0040	0.0016	0.0020	0.0021	0.0025	0.0021	0.0023	0.0026	0.0024	0.0025	0.0024	0.0022	0.0016	0.0033	0.0034	0.0032	0.0028	0.0037	0.0034	0.0038	0.0036	0.0039	0.0084	0.0086	0.0081	0.0084	0.0078	0.0024	0.0020	0.0021	0.0020	0.0016	0.0026	0.0032	0.0031	0.0028	0.0024	0.0028	0.0024	0.0025	0.0072	0.0037	0.0032	0.0027	0.0028	0.0030	0.0024	0.0038	0.0035	0.0034	0.0033	0.0035	0.0036	0.0042	0.0038	0.0042	0.0005	0.0012	0.0007	0.0009	0.0007	0.0010	0.0008	0.0008	0.0008	0.0005	0.0005	0.0006	0.0006	0.0006	0.0008	0.0007	0.0007	0.0007	0.0008	0.0011	0.0010	0.0010	0.0011	0.0011	0.0016	0.0016	0.0016	0.0018	0.0015	0.0015
diamino-pimelic acid	0.0041	0.0044	0.0040	0.0040	0.0029	0.0038	0.0029	0.0028	0.0031	0.0038	0.0045	0.0035	0.0047	0.0029	0.0029	0.0036	0.0027	0.0028	0.0057	0.0049	0.0052	0.0059	0.0051	0.0104	0.0078	0.0065	0.0066	0.0071	0.0057	0.0060	0.0042	0.0041	0.0034	0.0040	0.0039	0.0045	0.0026	0.0041	0.0045	0.0032	0.0038	0.0047	0.0040	0.0032	0.0030	0.0036	0.0048	0.0039	0.0051	0.0031	0.0072	0.0064	0.0088	0.0043	0.0045	0.0044	0.0031	0.0039	0.0027	0.0028	0.0023	0.0024	0.0040	0.0050	0.0046	0.0035	0.0039	0.0027	0.0042	0.0047	0.0035	0.0039	0.0043	0.0042	0.0062	0.0060	0.0048	0.0055	0.0052	0.0058	0.0065	0.0053	0.0050	0.0092	0.0057	0.0042	0.0031	0.0031	0.0030	0.0022	0.0021	0.0031	0.0044	0.0026	0.0023	0.0026	0.0025	0.0023	0.0024	0.0020	0.0018	0.0016	0.0021	0.0034	0.0044	0.0038	0.0040	0.0037	0.0031	0.0031	0.0039	0.0040	0.0034	0.0024	0.0026
disaccharides (trehalose)	0.0241	0.0272	0.0308	0.0290	0.0280	0.0089	0.0215	0.0178	0.0216	0.0237	0.0227	0.0189	0.0294	0.0503	0.0379	0.0386	0.0335	0.0362	0.0384	0.0425	0.0356	0.0442	0.0354	0.0359	0.0127	0.0183	0.0226	0.0157	0.0187	0.0196	0.2249	0.3036	0.3067	0.2834	0.2796	0.2073	0.2196	0.0913	0.2247	0.2221	0.2481	0.1791	0.1851	0.2036	0.1246	0.2300	0.1498	0.1687	0.1865	0.1406	0.1033	0.3298	0.4502	0.5147	0.4952	0.6426	0.2654	0.2324	0.2089	0.2376	0.1766	0.4843	0.1817	0.2044	0.1888	0.2454	0.2050	0.2049	0.1725	0.1571	0.3011	0.2766	0.3204	0.3172	0.2875	0.1984	0.2885	0.3149	0.1966	0.2734	0.4553	0.3189	0.1702	0.3814	0.4371	0.0524	0.0395	0.0497	0.0604	0.0481	0.0851	0.0272	0.0220	0.0239	0.0202	0.0199	0.0307	0.0306	0.0300	0.0241	0.0302	0.0255	0.0331	0.0338	0.0328	0.0283	0.0293	0.0268	0.0286	0.0094	0.0115	0.0116	0.0123	0.0091	0.0086
fumaric acid	0.0030	0.0027	0.0038	0.0032	0.0034	0.0042	0.0039	0.0043	0.0041	0.0051	0.0049	0.0045	0.0046	0.0051	0.0047	0.0042	0.0065	0.0058	0.0041	0.0050	0.0055	0.0043	0.0061	0.0062	0.0013	0.0011	0.0018	0.0016	0.0022	0.0016	0.0042	0.0068	0.0044	0.0057	0.0053	0.0034	0.0040	0.0055	0.0041	0.0039	0.0037	0.0087	0.0063	0.0042	0.0067	0.0034	0.0044	0.0041	0.0045	0.0044	0.0047	0.0003	0.0004	0.0009	0.0004	0.0006	0.0060	0.0045	0.0053	0.0053	0.0042	0.0060	0.0056	0.0062	0.0057	0.0059	0.0059	0.0058	0.0047	0.0038	0.0040	0.0055	0.0042	0.0062	0.0018	0.0030	0.0042	0.0040	0.0044	0.0050	0.0043	0.0039	0.0040	0.0042	0.0045	0.0035	0.0030	0.0039	0.0060	0.0033	0.0081	0.0043	0.0024	0.0029	0.0040	0.0039	0.0057	0.0056	0.0039	0.0048	0.0060	0.0056	0.0045	0.0046	0.0038	0.0046	0.0049	0.0065	0.0077	0.0015	0.0012	0.0013	0.0019	0.0015	0.0012
galactosamine	0.0156	0.0261	0.0301	0.0281	0.0301	0.0233	0.0216	0.0232	0.0259	0.0297	0.0217	0.0285	0.0227	0.0198	0.0220	0.0220	0.0281	0.0272	0.0276	0.0326	0.0314	0.0296	0.0350	0.0354	0.0032	0.0031	0.0014	0.0003	0.0007	0.0007	0.0111	0.0130	0.0140	0.0130	0.0128	0.0146	0.0161	0.0184	0.0166	0.0154	0.0148	0.0165	0.0232	0.0299	0.0258	0.0287	0.0255	0.0179	0.0273	0.0248	0.0320	0.0004	0.0006	0.0004	0.0030	0.0007	0.0105	0.0126	0.0110	0.0128	0.0104	0.0135	0.0152	0.0160	0.0147	0.0237	0.0180	0.0206	0.0182	0.0230	0.0232	0.0277	0.0303	0.0301	0.0279	0.0313	0.0330	0.0343	0.0380	0.0403	0.0248	0.0250	0.0232	0.0219	0.0268	0.0186	0.0212	0.0239	0.0207	0.0234	0.0181	0.0147	0.0187	0.0150	0.0204	0.0207	0.0188	0.0187	0.0193	0.0207	0.0222	0.0247	0.0228	0.0199	0.0199	0.0243	0.0270	0.0328	0.0297	0.0022	0.0022	0.0024	0.0005	0.0003	0.0022
galactose	0.0233	0.0285	0.0282	0.0266	0.0236	0.0447	0.0130	0.0106	0.0156	0.0155	0.0175	0.0144	0.0232	0.0339	0.0269	0.0326	0.0243	0.0291	0.0194	0.0234	0.0213	0.0229	0.0185	0.0214	0.0023	0.0036	0.0041	0.0032	0.0036	0.0032	0.0652	0.0911	0.1168	0.0967	0.0924	0.0835	0.0661	0.0709	0.0768	0.0890	0.0842	0.0391	0.0363	0.0503	0.0392	0.0521	0.0362	0.0357	0.0338	0.0320	0.0432	0.0090	0.0125	0.0129	0.0112	0.0128	0.2147	0.2163	0.1987	0.2083	0.1981	0.1951	0.1386	0.1604	0.1481	0.1563	0.1534	0.1638	0.0908	0.0848	0.0861	0.0884	0.0854	0.0949	0.0791	0.0751	0.0905	0.0835	0.0789	0.0729	0.1134	0.1037	0.0908	0.0820	0.0916	0.0429	0.0350	0.0404	0.0467	0.0376	0.0668	0.0222	0.0157	0.0184	0.0140	0.0144	0.0246	0.0233	0.0234	0.0183	0.0244	0.0224	0.0290	0.0185	0.0190	0.0167	0.0158	0.0166	0.0169	0.0012	0.0022	0.0017	0.0016	0.0013	0.0011
glucose	0.1035	0.1134	0.1162	0.1064	0.1010	0.1904	0.0438	0.0356	0.0515	0.0504	0.0769	0.0453	0.0829	0.1080	0.1043	0.1145	0.1042	0.1141	0.0647	0.0700	0.0714	0.0814	0.0807	0.0802	0.0088	0.0086	0.0116	0.0094	0.0158	0.0110	0.1251	0.1924	0.2235	0.1599	0.1752	0.1973	0.1979	0.2023	0.1719	0.2185	0.1880	0.0995	0.1134	0.1427	0.1460	0.1721	0.0954	0.0777	0.0871	0.0861	0.1305	0.0101	0.0140	0.0158	0.0181	0.0211	0.2178	0.2138	0.2006	0.2606	0.2182	0.2554	0.1547	0.1757	0.1623	0.2787	0.2055	0.2562	0.1139	0.1178	0.1230	0.1548	0.1820	0.1888	0.1284	0.1380	0.1547	0.1573	0.1463	0.1717	0.1166	0.1197	0.1195	0.1009	0.1356	0.1190	0.0997	0.1260	0.1377	0.1191	0.2112	0.0480	0.0443	0.0521	0.0515	0.0527	0.0877	0.0702	0.0695	0.0654	0.0804	0.0826	0.1019	0.0440	0.0428	0.0416	0.0404	0.0548	0.0522	0.0046	0.0064	0.0059	0.0077	0.0042	0.0040
glucose-1-phosphate	0.0518	0.0527	0.0624	0.0371	0.0293	0.0993	0.0552	0.0397	0.0498	0.0549	0.0669	0.0488	0.0861	0.0882	0.0738	0.0705	0.0743	0.0861	0.0749	0.0817	0.0453	0.0635	0.0909	0.0890	0.0142	0.0122	0.0096	0.0117	0.0117	0.0110	0.0777	0.1160	0.1080	0.0719	0.0934	0.0698	0.0780	0.0916	0.0449	0.0868	0.0731	0.0838	0.0850	0.1059	0.0826	0.0942	0.0709	0.0853	0.0600	0.0573	0.0810	0.0152	0.0134	0.0084	0.0102	0.0105	0.0610	0.0465	0.0628	0.0731	0.0631	0.0729	0.0457	0.0594	0.0548	0.0573	0.0583	0.0744	0.0506	0.0543	0.0693	0.0777	0.0568	0.0600	0.0556	0.0545	0.0454	0.0514	0.0544	0.0460	0.0525	0.0535	0.0331	0.0418	0.0462	0.0288	0.0113	0.0225	0.0393	0.0284	0.0604	0.0246	0.0176	0.0210	0.0269	0.0232	0.0323	0.0282	0.0301	0.0320	0.0329	0.0311	0.0325	0.0384	0.0321	0.0335	0.0381	0.0344	0.0362	0.0030	0.0039	0.0034	0.0023	0.0026	0.0032
glucose_ Cl adduct	0.0324	0.0371	0.0331	0.0358	0.0328	0.0477	0.0178	0.0118	0.0199	0.0165	0.0266	0.0208	0.0305	0.0352	0.0352	0.0385	0.0325	0.0363	0.0246	0.0176	0.0223	0.0340	0.0261	0.0256	0.0019	0.0021	0.0030	0.0027	0.0046	0.0032	0.0422	0.0516	0.0638	0.0540	0.0529	0.0710	0.0613	0.0653	0.0607	0.0694	0.0653	0.0346	0.0375	0.0543	0.0463	0.0627	0.0311	0.0292	0.0303	0.0215	0.0433	0.0025	0.0031	0.0044	0.0046	0.0060	0.0676	0.0687	0.0634	0.0894	0.0597	0.0801	0.0589	0.0563	0.0520	0.0790	0.0636	0.0717	0.0332	0.0568	0.0434	0.0538	0.0654	0.0601	0.0378	0.0429	0.0550	0.0480	0.0427	0.0487	0.0357	0.0359	0.0370	0.0294	0.0417	0.0451	0.0382	0.0451	0.0413	0.0403	0.0650	0.0179	0.0171	0.0178	0.0199	0.0202	0.0298	0.0241	0.0261	0.0221	0.0248	0.0259	0.0318	0.0132	0.0167	0.0188	0.0152	0.0187	0.0205	0.0015	0.0018	0.0011	0.0029	0.0016	0.0015
glutamic acid	1.8254	1.5620	1.7852	1.5402	1.5410	1.6933	1.9172	1.8391	2.0056	2.1679	1.8658	1.9004	1.9440	1.8029	1.6792	1.8088	2.0654	1.9320	1.8581	2.1218	2.1041	1.9103	2.0148	2.1289	1.9358	1.8691	2.1336	2.0222	1.9269	1.9610	1.2519	1.5461	1.5738	1.3579	1.4324	1.3436	1.3053	1.3970	1.4950	1.4387	1.2462	1.5385	1.4394	1.5872	1.5336	1.3712	1.4667	1.3786	1.5039	1.5118	1.4723	0.6191	0.6843	1.0643	0.7218	0.9624	0.8568	0.8383	0.8582	1.0067	0.7885	0.7798	0.8484	1.0308	0.9520	0.8636	0.9002	0.8064	0.9847	0.8700	0.8686	1.0270	0.8521	1.0429	0.9884	0.8767	1.0181	1.0180	0.9801	1.0081	0.9652	1.0090	0.9326	0.8927	0.8526	0.9896	0.5805	0.8470	0.9408	0.6897	0.8572	0.9940	0.7880	0.9811	0.8571	0.7306	0.8347	0.9567	0.8642	0.7654	0.8758	0.8259	0.7456	1.1580	1.0505	1.0592	1.1762	1.1672	1.0581	0.6720	0.6986	0.8324	0.7731	0.7347	0.5377
glutamine	0.0614	0.0592	0.0751	0.0746	0.0762	0.1055	0.0758	0.0751	0.0778	0.0892	0.0974	0.0852	0.0647	0.0711	0.0699	0.0872	0.0771	0.0712	0.0511	0.0526	0.0481	0.0614	0.0590	0.0559	0.0268	0.0228	0.0376	0.0290	0.0312	0.0312	0.1018	0.1165	0.1433	0.1455	0.1268	0.1474	0.1464	0.1400	0.1307	0.1351	0.1371	0.0759	0.0824	0.1048	0.0990	0.1411	0.0706	0.0551	0.0763	0.0618	0.0894	0.0183	0.0240	0.0360	0.0255	0.0321	0.1121	0.1188	0.1223	0.1246	0.1037	0.1081	0.1372	0.1385	0.1279	0.1441	0.1382	0.1430	0.0915	0.0952	0.0929	0.0868	0.1008	0.1065	0.0686	0.0590	0.0728	0.0599	0.0591	0.0663	0.0424	0.0466	0.0451	0.0488	0.0442	0.0474	0.0405	0.0743	0.0776	0.0540	0.1028	0.0657	0.0612	0.0702	0.0708	0.0542	0.0727	0.0576	0.0522	0.0576	0.0606	0.0521	0.0600	0.0461	0.0621	0.0583	0.0532	0.0530	0.0501	0.0177	0.0145	0.0212	0.0173	0.0194	0.0162
glutathione	0.0899	0.0577	0.0143	0.0042	0.0321	0.0130	0.0970	0.0630	0.0761	0.1417	0.0239	0.0903	0.0399	0.1328	0.0479	0.0402	0.0667	0.0769	0.0277	0.0129	0.1520	0.1347	0.0470	0.0239	0.0291	0.0379	0.0815	0.1151	0.1951	0.1108	0.1067	0.1759	0.1463	0.0225	0.1129	0.0214	0.0276	0.0338	0.0491	0.0474	0.0427	0.0317	0.0027	0.0430	0.0756	0.0260	0.1187	0.1639	0.0333	0.1239	0.1536	0.0267	0.0132	0.2048	0.0079	0.0151	0.0201	0.0156	0.0505	0.0888	0.0611	0.0397	0.0238	0.0193	0.0178	0.0277	0.0209	0.0159	0.0209	0.0260	0.0214	0.0479	0.0093	0.0238	0.0147	0.0163	0.0247	0.0334	0.0330	0.0119	0.0139	0.0321	0.0114	0.0180	0.0117	0.0074	0.0063	0.0033	0.0128	0.0075	0.0103	0.0125	0.0088	0.0091	0.0123	0.0249	0.0489	0.0079	0.0150	0.0067	0.0105	0.0120	0.0074	0.0052	0.0164	0.0136	0.0390	0.0315	0.0201	0.0039	0.0575	0.0235	0.0836	0.0151	0.0118
inosine	0.0022	0.0042	0.0027	0.0036	0.0054	0.0036	0.0043	0.0032	0.0036	0.0037	0.0030	0.0051	0.0072	0.0061	0.0042	0.0037	0.0055	0.0069	0.0031	0.0061	0.0045	0.0040	0.0039	0.0045	0.0022	0.0025	0.0023	0.0039	0.0022	0.0036	0.0120	0.0241	0.0151	0.0217	0.0182	0.0069	0.0091	0.0083	0.0101	0.0094	0.0099	0.0172	0.0242	0.0186	0.0332	0.0088	0.0083	0.0092	0.0050		0.0106	0.0092	0.0169	0.0040	0.0110	0.0039	0.0083	0.0086	0.0044	0.0057	0.0068	0.0105	0.0052	0.0056	0.0052	0.0092	0.0064	0.0069	0.0210	0.0155	0.0123	0.0270	0.0137	0.0157	0.0033	0.0045	0.0050	0.0100	0.0116	0.0135	0.0079	0.0034	0.0113	0.0027	0.0039	0.0023	0.0023	0.0015	0.0016	0.0018	0.0030	0.0029	0.0038	0.0017	0.0018	0.0022	0.0032	0.0031	0.0056	0.0026	0.0038	0.0039	0.0034	0.0035	0.0036	0.0031	0.0035	0.0025	0.0074	0.0019	0.0035	0.0016	0.0032	0.0013	0.0013
L-2_3-Dihydrodipicolinate	0.0688	0.0430	0.0723	0.0667	0.0485	0.0620	0.0443	0.0606	0.0620	0.0660	0.0462	0.0696	0.0653	0.0484	0.0455	0.0622	0.0674	0.0683	0.0608	0.0574	0.0517	0.0790	0.0612	0.0707	0.0402	0.0411	0.0638	0.0439	0.0457	0.0526	0.0464	0.0500	0.0529	0.0683	0.0544	0.0638	0.0485	0.0599	0.0593	0.0521	0.0551	0.0695	0.0491	0.0713	0.0687	0.0570	0.0510	0.0517	0.0530	0.0405	0.0587	0.0334	0.0311	0.0374	0.0298	0.0371	0.0379	0.0452	0.0412	0.0456	0.0366	0.0328	0.0550	0.0544	0.0502	0.0438	0.0489	0.0411	0.0522	0.0503	0.0475	0.0469	0.0417	0.0456	0.0498	0.0423	0.0491	0.0459	0.0444	0.0459	0.0396	0.0407	0.0410	0.0343	0.0393	0.0506	0.0446	0.0416	0.0466	0.0352	0.0348	0.0436	0.0493	0.0462	0.0444	0.0446	0.0408	0.0436	0.0518	0.0405	0.0410	0.0426	0.0391	0.0501	0.0505	0.0541	0.0482	0.0490	0.0434	0.0262	0.0245	0.0335	0.0356	0.0327	0.0276
lysine	0.0044	0.0046	0.0040	0.0039	0.0045	0.0042	0.0045	0.0045	0.0060	0.0055	0.0046	0.0059	0.0058	0.0048	0.0037	0.0054	0.0047	0.0057	0.0061	0.0055	0.0057	0.0023	0.0059	0.0054	0.0153	0.0110	0.0122	0.0172	0.0144	0.0128	0.0067	0.0103	0.0085	0.0083	0.0084	0.0081	0.0063	0.0055	0.0066	0.0071	0.0057	0.0130	0.0087	0.0107	0.0111	0.0095	0.0110	0.0103	0.0112	0.0114	0.0110	0.0097	0.0159	0.0154	0.0135	0.0159	0.0052	0.0056	0.0058	0.0058	0.0046	0.0050	0.0060	0.0080	0.0073	0.0067	0.0066	0.0052	0.0085	0.0127	0.0086	0.0102	0.0094	0.0092	0.0084	0.0077	0.0088	0.0110	0.0098	0.0104	0.0117	0.0108	0.0111	0.0098	0.0091	0.0035	0.0027	0.0038	0.0038	0.0028	0.0043	0.0049	0.0039	0.0018	0.0041	0.0031	0.0036	0.0042	0.0037	0.0030	0.0036	0.0035	0.0029	0.0055	0.0044	0.0055	0.0059	0.0048	0.0054	0.0045	0.0036	0.0048	0.0055	0.0044	0.0029
N-acetyl-galactosamine	0.0099	0.0095	0.0093	0.0059	0.0085	0.0106	0.0104	0.0113	0.0108	0.0122	0.0123	0.0136	0.0097	0.0095	0.0105	0.0106	0.0097	0.0100	0.0138	0.0068	0.0138	0.0140	0.0054	0.0142	0.0020	0.0118	0.0035	0.0143	0.0064	0.0131	0.0024	0.0031	0.0033	0.0035	0.0031	0.0028	0.0018	0.0024	0.0031	0.0029	0.0082	0.0036	0.0028	0.0030	0.0033	0.0030	0.0035	0.0039	0.0027	0.0036	0.0038	0.0019	0.0021	0.0032	0.0016	0.0030	0.0026	0.0025	0.0036	0.0020	0.0018	0.0021	0.0041	0.0040	0.0037	0.0042	0.0036	0.0018	0.0019	0.0058	0.0063	0.0041	0.0015	0.0032	0.0015	0.0030	0.0029	0.0026	0.0052	0.0024	0.0045	0.0037	0.0041	0.0037	0.0046	0.0064	0.0061	0.0068	0.0077	0.0053	0.0074	0.0045	0.0061	0.0049	0.0042	0.0042	0.0050	0.0034	0.0042	0.0038	0.0065	0.0040	0.0045	0.0051	0.0054	0.0064	0.0053	0.0049	0.0058	0.0055	0.0052	0.0059	0.0069	0.0064	0.0042
N-acetyl-glutamic acid	0.0923	0.1002	0.1188	0.1196	0.0946	0.1203	0.1254	0.1064	0.1222	0.1218	0.1266	0.1248	0.1136	0.1178	0.0998	0.1176	0.1183	0.1113	0.2050	0.2070	0.1825	0.2060	0.1946	0.2278	0.3218	0.3066	0.3008	0.3187	0.3376	0.3263	0.0620	0.0668	0.0603	0.0739	0.0657	0.0661	0.0630	0.0708	0.0672	0.0664	0.0536	0.0923	0.0845	0.0962	0.0770	0.0724	0.0973	0.1098	0.0913	0.1064	0.0819	0.0250	0.0378	0.0366	0.0358	0.0458	0.0662	0.0740	0.0594	0.0618	0.0477	0.0554	0.0552	0.0676	0.0624	0.0583	0.0599	0.0560	0.0836	0.0679	0.0682	0.0664	0.0592	0.0783	0.1145	0.1126	0.1240	0.1080	0.1016	0.1029	0.1703	0.1601	0.1424	0.1404	0.1303	0.1199	0.0909	0.1129	0.1048	0.0913	0.1141	0.0961	0.1078	0.1114	0.0951	0.0739	0.0832	0.1099	0.1109	0.0847	0.0939	0.0886	0.0806	0.1805	0.1828	0.1836	0.1434	0.1525	0.1511	0.2707	0.2962	0.3624	0.2978	0.2482	0.1826
N-acetyl-neuraminic acid	0.0054	0.0032	0.0022	0.0015	0.0039	0.0020	0.0059	0.0032	0.0048	0.0084	0.0026	0.0044	0.0034	0.0072	0.0031	0.0032	0.0032	0.0044	0.0028	0.0032	0.0085	0.0067	0.0025	0.0039	0.0026	0.0021	0.0046	0.0063	0.0113	0.0061	0.0070	0.0103	0.0092	0.0014	0.0070	0.0013	0.0013	0.0020	0.0026	0.0025	0.0026	0.0018	0.0003	0.0027	0.0047	0.0015	0.0077	0.0111	0.0018	0.0084	0.0096	0.0013	0.0013	0.0136	0.0005	0.0013	0.0012	0.0009	0.0034	0.0060	0.0044	0.0023	0.0013	0.0012	0.0011	0.0020	0.0013	0.0010	0.0013	0.0015	0.0013	0.0023	0.0004	0.0014	0.0010	0.0011	0.0014	0.0015	0.0018	0.0008	0.0009	0.0019	0.0007	0.0012	0.0008	0.0035	0.0023	0.0046	0.0032	0.0040	0.0040	0.0034	0.0041	0.0034	0.0035	0.0032	0.0032	0.0066	0.0042	0.0039	0.0044	0.0044	0.0040	0.0059	0.0058	0.0057	0.0065	0.0069	0.0117	0.0022	0.0028	0.0016	0.0048	0.0026	0.0019
oxoproline	0.0025	0.0046	0.0046	0.0036	0.0083	0.0083	0.0058	0.0051	0.0149	0.0091	0.0065	0.0095	0.0062	0.0095	0.0079	0.0057	0.0036	0.0072	0.0064	0.0144	0.0083	0.0099	0.0078	0.0063	0.0076	0.0073	0.0132	0.0115	0.0238	0.0173	0.0100	0.0229	0.0208	0.0178	0.0179	0.0143	0.0110	0.0122	0.0147	0.0116	0.0180	0.0130	0.0126	0.0122	0.0196	0.0116	0.0162	0.0122	0.0116	0.0282	0.0126	0.0144	0.1031	0.0221	0.0321	0.0280	0.0352	0.0135	0.0109	0.0116	0.0143	0.0124	0.0155	0.0188	0.0173	0.0141	0.0166	0.0171	0.0225	0.0134	0.0109	0.0109	0.0129	0.0174	0.0112	0.0125	0.0122	0.0127	0.0126	0.0119	0.0203	0.0216	0.0231	0.0171	0.0179	0.0038	0.0025	0.0032	0.0034	0.0062	0.0111	0.0043	0.0048	0.0044	0.0073	0.0053	0.0071	0.0049	0.0091	0.0046	0.0073	0.0062	0.0045	0.0065	0.0062	0.0062	0.0144	0.0071	0.0061	0.0039	0.0069	0.0051	0.0059	0.0044	0.0031
PA34:1	0.0053	0.0101	0.0047	0.0028	0.0039	0.0068	0.0128	0.0135	0.0059	0.0055	0.0086	0.0045	0.0103	0.0086	0.0149	0.0052	0.0065	0.0083	0.0087	0.0093	0.0077	0.0100	0.0105	0.0086	0.0074	0.0107	0.0068	0.0067	0.0063	0.0142	0.0108	0.0059	0.0056	0.0028	0.0062	0.0033	0.0038	0.0066	0.0070	0.0027	0.0070	0.0021	0.0116	0.0143	0.0040	0.0105	0.0086	0.0106	0.0062	0.0058	0.0120	0.0051	0.0104	0.0053	0.0107	0.0137	0.0042	0.0015	0.0027	0.0020	0.0023	0.0029	0.0031	0.0034	0.0031	0.0060	0.0038	0.0036	0.0049	0.0029	0.0089	0.0022	0.0062	0.0048	0.0076	0.0100	0.0055	0.0019	0.0056	0.0033	0.0103	0.0056	0.0050	0.0026	0.0135	0.0018	0.0018	0.0020	0.0043	0.0081	0.0173	0.0022	0.0016	0.0039	0.0034	0.0045	0.0059	0.0019	0.0031	0.0100	0.0056	0.0060	0.0164	0.0033	0.0071	0.0061	0.0066	0.0070	0.0144	0.0074	0.0060	0.0042	0.0019	0.0051	0.0128
PA36:2	0.0412	0.0682	0.0290	0.0148	0.0342	0.0485	0.0682	0.0863	0.0421	0.0479	0.0635	0.0148	0.0648	0.0556	0.0942	0.0723	0.0491	0.0610	0.0597	0.0662	0.0556	0.0709	0.0785	0.0583	0.0381	0.0494	0.0402	0.0373	0.0314	0.0691	0.0781	0.0458	0.0489	0.0188	0.0479	0.0217	0.0308	0.0359	0.0481	0.0482	0.0515	0.0296	0.0747	0.0798	0.0276	0.0687	0.0496	0.0560	0.0411	0.0352	0.0659	0.0242	0.0400	0.0215	0.0466	0.0628	0.0282	0.0168	0.0154	0.0246	0.0297	0.0551	0.0295	0.0418	0.0386	0.0396	0.0353	0.0272	0.0304	0.0274	0.0578	0.0178	0.0367	0.0365	0.0468	0.0551	0.0472	0.0261	0.0290	0.0371	0.0593	0.0308	0.0240	0.0362	0.0698	0.0170	0.0221	0.0181	0.0261	0.0681	0.1162	0.0469	0.0113	0.0303	0.0185	0.0306	0.0337	0.0138	0.0309	0.0707	0.0415	0.0456	0.1099	0.0504	0.0489	0.0513	0.0411	0.0470	0.0958	0.0387	0.0339	0.0208	0.0221	0.0265	0.0675
pantothenic acid	0.0082	0.0096	0.0099	0.0056	0.0077	0.0095	0.0117	0.0086	0.0114	0.0108	0.0105	0.0120	0.0095	0.0086	0.0087	0.0096	0.0099	0.0096	0.0059	0.0062	0.0063	0.0079	0.0029	0.0032	0.0089	0.0134	0.0168	0.0115	0.0120	0.0197	0.0024	0.0028	0.0025	0.0026	0.0026	0.0021	0.0019	0.0027	0.0014	0.0019	0.0019	0.0020	0.0026	0.0017	0.0019	0.0019	0.0020	0.0025	0.0015	0.0021	0.0020	0.0138	0.0151	0.0049	0.0092	0.0024	0.0122	0.0111	0.0087	0.0101	0.0075	0.0103	0.0061	0.0082	0.0076	0.0071	0.0071	0.0067	0.0071	0.0068	0.0073	0.0069	0.0055	0.0070	0.0047	0.0053	0.0074	0.0026	0.0051	0.0053	0.0041	0.0050	0.0038	0.0031	0.0036	0.0274	0.0230	0.0223	0.0227	0.0189	0.0242	0.0201	0.0178	0.0194	0.0161	0.0152	0.0186	0.0188	0.0214	0.0160	0.0177	0.0192	0.0174	0.0154	0.0203	0.0188	0.0151	0.0176	0.0184	0.0376	0.0524	0.0585	0.0566	0.0417	0.0395
PG32:0	0.0516	0.0610	0.0663	0.0471	0.0411	0.0696	0.0340	0.0412	0.0539	0.0577	0.0493	0.0640	0.0487	0.0654	0.0609	0.0498	0.0391	0.0617	0.0551	0.0524	0.0586	0.0572	0.0628	0.0724	0.0430	0.0481	0.0554	0.0417	0.0384	0.0399	0.0516	0.0528	0.0540	0.0521	0.0526	0.0675	0.0371	0.0732	0.0355	0.0409	0.0703	0.0540	0.0423	0.0803	0.0664	0.0845	0.0726	0.0627	0.0924	0.0696	0.0657	0.0244	0.0378	0.0520	0.0309	0.0393	0.0092	0.0582	0.0563	0.0418	0.0506	0.0065	0.0490	0.0366	0.0338	0.0517	0.0420	0.0391	0.0442	0.0481	0.0567	0.0385	0.0404	0.0378	0.0455	0.0607	0.0693	0.0633	0.0660	0.0665	0.0411	0.0565	0.0569	0.0494	0.0470	0.0197	0.0251	0.0284	0.0368	0.0248	0.0311	0.0155	0.0186	0.0272	0.0371	0.0246	0.0390	0.0076	0.0278	0.0256	0.0329	0.0236	0.0295	0.0216	0.0318	0.0339	0.0410	0.0282	0.0320	0.0159	0.0389	0.0359	0.0296	0.0343	0.0353
PG32:1	0.0447	0.0419	0.0436	0.0329	0.0300	0.0435	0.0330	0.0423	0.0369	0.0403	0.0395	0.0528	0.0474	0.0487	0.0426	0.0407	0.0425	0.0354	0.0518	0.0533	0.0538	0.0424	0.0440	0.0529	0.0342	0.0376	0.0444	0.0317	0.0345	0.0360	0.0410	0.0530	0.0453	0.0448	0.0460	0.0481	0.0410	0.0564	0.0448	0.0351	0.0472	0.0428	0.0402	0.0607	0.0526	0.0584	0.0598	0.0531	0.0686	0.0678	0.0496	0.0244	0.0263	0.0239	0.0257	0.0275	0.0509	0.0536	0.0504	0.0467	0.0360	0.0317	0.0452	0.0593	0.0548	0.0209	0.0448	0.0439	0.0422	0.0666	0.0585	0.0432	0.0493	0.0550	0.0536	0.0532	0.0582	0.0458	0.0544	0.0570	0.0406	0.0561	0.0578	0.0379	0.0406	0.0270	0.0265	0.0288	0.0342	0.0274	0.0327	0.0236	0.0281	0.0251	0.0289	0.0285	0.0416	0.0339	0.0324	0.0224	0.0312	0.0289	0.0382	0.0365	0.0431	0.0379	0.0512	0.0449	0.0346	0.0158	0.0335	0.0346	0.0248	0.0296	0.0279
PG33:1	0.0231	0.0038	0.0206	0.0199	0.0166	0.0228	0.0141	0.0181	0.0220	0.0228	0.0030	0.0203	0.0186	0.0188	0.0175	0.0172	0.0169	0.0179	0.0194	0.0154	0.0196	0.0183	0.0165	0.0190	0.0237	0.0211	0.0260	0.0272	0.0180	0.0208	0.0668	0.0947	0.0784	0.0706	0.0776	0.0690	0.0592	0.0773	0.0437	0.0627	0.0692	0.0477	0.0379	0.0627	0.0531	0.0617	0.0531	0.0449	0.0601	0.0623	0.0449	0.0454	0.0555	0.0402	0.0482	0.0337	0.0892	0.0987	0.0991	0.0823	0.0921	0.0578	0.0789	0.0868	0.0802	0.0797	0.0800	0.0744	0.0742	0.0630	0.0721	0.0691	0.0631	0.0685	0.0535	0.0653	0.0701	0.0654	0.0684	0.0699	0.0428	0.0748	0.0595	0.0515	0.0521	0.0211	0.0207	0.0240	0.0220	0.0196	0.0199	0.0146	0.0171	0.0197	0.0177	0.0153	0.0224	0.0133	0.0156	0.0134	0.0174	0.0131	0.0171	0.0100	0.0165	0.0147	0.0199	0.0165	0.0138	0.0074	0.0158	0.0147	0.0141	0.0143	0.0139
PG34:0	0.2994	0.2679	0.2948	0.2176	0.1999	0.2783	0.1704	0.2654	0.2554	0.2895	0.2384	0.3119	0.2752	0.2737	0.2551	0.2302	0.2605	0.2728	0.2984	0.3391	0.3396	0.2867	0.2742	0.3384	0.2742	0.2334	0.2966	0.2989	0.2754	0.2065	0.2026	0.2988	0.2349	0.2071	0.2358	0.2220	0.1931	0.2522	0.1841	0.1960	0.2158	0.1962	0.1432	0.2455	0.2295	0.2544	0.2421	0.1917	0.2918	0.2927	0.1920	0.1307	0.1417	0.1988	0.1355	0.1264	0.1735	0.1896	0.2034	0.2163	0.1953	0.1291	0.1541	0.1852	0.1710	0.1587	0.1725	0.1933	0.1905	0.1568	0.1761	0.1820	0.1575	0.1749	0.1949	0.1830	0.2117	0.2111	0.1960	0.2129	0.1316	0.2106	0.2227	0.2016	0.1318	0.1057	0.1190	0.1468	0.2318	0.1182	0.1245	0.0997	0.1159	0.1457	0.1565	0.1206	0.1816	0.1368	0.1373	0.1292	0.1983	0.1239	0.1711	0.1642	0.1797	0.1602	0.2531	0.2143	0.1398	0.0742	0.1624	0.1670	0.1709	0.1571	0.1452
PG34:1	2.3466	2.1067	2.2408	1.7659	1.5482	2.1947	1.3443	2.0807	2.4236	2.1940	1.8532	2.4767	2.0953	2.1644	2.0013	1.9039	2.0300	2.0973	2.4355	2.5939	2.6258	2.1115	2.1862	2.5605	2.3622	1.9619	2.3523	2.4987	2.1154	1.6841	1.6409	2.4417	1.8911	1.7092	1.9207	1.9408	1.5972	2.1156	1.5183	1.7314	1.7801	2.0603	1.2286	2.1007	1.8994	2.1024	2.0273	1.6412	2.4463	2.4301	1.5916	1.0871	1.1944	1.2173	1.1417	1.0779	1.3974	1.6147	1.6193	1.7501	1.5274	0.8190	1.3583	1.5869	1.4656	1.4255	1.4271	1.2989	1.5514	1.3473	1.5247	1.5161	1.3346	1.4569	1.5893	1.5223	1.6356	1.6706	1.6345	1.6815	0.9911	1.6999	1.7305	1.5771	1.1486	0.8704	0.9439	1.1822	1.7767	0.9609	1.0419	0.7737	0.9741	1.1719	1.2936	0.9533	1.4225	1.1308	1.1604	1.0570	1.5190	1.0303	1.4076	1.3190	1.5101	1.2940	2.0045	1.6830	1.1827	0.6116	1.3648	1.2844	1.4250	1.1771	1.1891
PG34:2	0.5067	0.4826	0.5017	0.4578	0.3959	0.4660	0.3904	0.5582	0.5869	0.6944	0.5783	0.5839	0.5496	0.5917	0.4885	0.5545	0.6247	0.5620	0.5971	0.6548	0.6470	0.5746	0.5798	0.6401	0.3692	0.3233	0.3897	0.4234	0.3726	0.3069	0.5935	0.7579	0.8159	0.5993	0.6917	0.6512	0.5575	0.6566	0.6199	0.6382	0.5287	0.7257	0.4817	0.6555	0.6361	0.6599	0.6216	0.5392	0.7297	0.6992	0.5182	0.1762	0.1800	0.2795	0.1784	0.2093	0.7129	0.7293	0.7476	0.8877	0.6939	0.5292	0.6440	0.7580	0.7000	0.6774	0.6977	0.7093	0.7274	0.6414	0.7072	0.7634	0.6358	0.7281	0.6371	0.6048	0.6360	0.6988	0.6153	0.6865	0.3788	0.5372	0.5413	0.4698	0.4034	0.6935	0.5544	0.6790	0.7181	0.5677	0.4953	0.6266	0.5755	0.7222	0.5119	0.5624	0.6281	0.7096	0.6062	0.5686	0.6548	0.5374	0.5929	0.7222	0.7261	0.6029	0.7615	0.7892	0.5401	0.2447	0.4080	0.4320	0.4158	0.3704	0.3189
PG35:2	0.1382	0.1437	0.1386	0.1236	0.1136	0.1360	0.0966	0.1249	0.1517	0.1704	0.1465	0.1383	0.1218	0.1447	0.1207	0.1288	0.1393	0.1326	0.1491	0.1691	0.1529	0.1307	0.1489	0.1581	0.1810	0.1650	0.2075	0.2248	0.1628	0.1552	0.4776	0.5641	0.5929	0.4411	0.5189	0.4394	0.3916	0.4588	0.4368	0.4271	0.3434	0.3832	0.2635	0.3688	0.3605	0.3924	0.3519	0.2928	0.4191	0.4146	0.2810	0.2931	0.3033	0.3357	0.2887	0.2279	0.7251	0.7114	0.7958	0.8460	0.6031	0.5424	0.6057	0.7309	0.6750	0.6721	0.6792	0.7123	0.6346	0.5440	0.5565	0.5897	0.5247	0.5887	0.5781	0.5589	0.4815	0.6414	0.5377	0.6361	0.3561	0.4977	0.5503	0.5044	0.4409	0.2369	0.2057	0.2521	0.2755	0.2170	0.1812	0.1995	0.2067	0.2521	0.1848	0.2049	0.2316	0.2291	0.2016	0.1963	0.2211	0.1858	0.2022	0.2540	0.2549	0.1967	0.2496	0.2764	0.1814	0.1201	0.2332	0.2286	0.2150	0.1737	0.1832
PG36:0	0.1197	0.1101	0.1118	0.0990	0.0851	0.1114	0.0614	0.0948	0.1211	0.1169	0.0989	0.1192	0.0894	0.1047	0.0951	0.0954	0.1004	0.0964	0.1168	0.1267	0.1244	0.0967	0.1074	0.1212	0.1011	0.0831	0.1062	0.1155	0.0856	0.0697	0.0849	0.1112	0.0987	0.0848	0.0949	0.0846	0.0768	0.0921	0.0746	0.0751	0.0062	0.0785	0.0465	0.0753	0.0774	0.0834	0.0752	0.0596	0.0904	0.0906	0.0600	0.0334	0.0360	0.0445	0.0055	0.0337	0.0641	0.0706	0.0712	0.0737	0.0581	0.0096	0.0602	0.0677	0.0625	0.0596	0.0621	0.0602	0.0626	0.0529	0.0560	0.0556	0.0484	0.0578	0.0581	0.0532	0.0546	0.0575	0.0572	0.0613	0.0328	0.0514	0.0547	0.0507	0.0388	0.0522	0.0530	0.0597	0.0810	0.0529	0.0498	0.0437	0.0507	0.0600	0.0543	0.0516	0.0688	0.0573	0.0531	0.0514	0.0639	0.0491	0.0616	0.0633	0.0677	0.0533	0.0804	0.0787	0.0497	0.0240	0.0505	0.0488	0.0504	0.0384	0.0468
PG36:2	9.6616	9.1647	9.3148	9.2381	7.8838	9.2695	6.0565	9.6312	10.3997	12.1059	10.2618	10.8724	9.3401	10.2719	8.4694	10.2201	10.4147	9.3197	10.5849	11.4774	11.3920	10.9856	10.6264	11.1707	9.0436	7.2914	8.9753	10.0734	8.6973	6.4802	9.9338	12.2931	12.5453	10.5588	11.3328	10.8697	9.1502	10.9563	9.4764	9.8198	8.9529	9.8376	6.1378	9.9629	9.3292	9.8345	8.8180	7.1373	10.8507	10.2836	7.0003	4.3180	4.8080	6.1549	4.5036	4.0815	8.2620	9.4362	9.4566	9.9196	7.8994	5.7990	8.1851	8.8140	8.1401	7.8329	8.2957	8.5065	8.0929	7.4645	8.0957	7.7147	6.7564	7.9684	7.6076	7.0697	8.1702	7.7086	7.7790	8.2372	4.3677	7.7233	7.2072	6.5090	5.3074	7.0565	6.6644	7.6645	8.3342	6.3908	5.2598	6.2584	6.5803	7.8335	6.0652	6.3878	7.2463	7.8222	7.1363	6.4862	7.3933	5.9891	6.8065	8.3627	8.4360	7.3958	9.2249	9.3674	5.8059	3.0574	5.9047	5.8471	6.1784	5.7871	4.9397
PG36:3	0.0347	0.0411	0.0398	0.0148	0.0349	0.0361	0.0258	0.0354	0.0438	0.0526	0.0482	0.0471	0.0368	0.0420	0.0357	0.0459	0.0425	0.0369	0.0429	0.0451	0.0410	0.0450	0.0430	0.0415	0.0306	0.0258	0.0309	0.0346	0.0273	0.0244	0.0447	0.0507	0.0583	0.0498	0.0509	0.0480	0.0361	0.0438	0.0477	0.0403	0.0365	0.0386	0.0274	0.0406	0.0351	0.0412	0.0331	0.0264	0.0431	0.0365	0.0264	0.0167	0.0196	0.0194	0.0180	0.0162	0.0502	0.0513	0.0535	0.0530	0.0372	0.0405	0.0444	0.0482	0.0445	0.0439	0.0462	0.0501	0.0397	0.0450	0.0426	0.0376	0.0344	0.0393	0.0412	0.0391	0.0402	0.0373	0.0355	0.0374	0.0217	0.0340	0.0314	0.0266	0.0255	0.0818	0.0601	0.0628	0.0470	0.0542	0.0354	0.0610	0.0514	0.0579	0.0347	0.0482	0.0430	0.0541	0.0442	0.0407	0.0382	0.0391	0.0375	0.0535	0.0482	0.0454	0.0418	0.0498	0.0324	0.0151	0.0285	0.0265	0.0254	0.0235	0.0226
PG37:2	0.1644	0.1454	0.1513	0.1468	0.1263	0.1447	0.0661	0.1324	0.1244	0.1495	0.1273	0.1328	0.0881	0.1053	0.0925	0.1015	0.1071	0.0962	0.1102	0.1232	0.1217	0.0970	0.0983	0.1098	0.1439	0.1452	0.1551	0.1618	0.1343	0.1054	0.3798	0.4287	0.4169	0.3869	0.4031	0.3283	0.2880	0.3417	0.3109	0.3398	0.2837	0.2483	0.1367	0.2368	0.2543	0.2575	0.2293	0.1724	0.2911	0.2830	0.1709	0.3221	0.3034	0.3754	0.2834	0.1838	0.4012	0.4642	0.4629	0.5053	0.4189	0.2629	0.3975	0.4081	0.3769	0.4045	0.3984	0.4053	0.4018	0.3249	0.3533	0.3697	0.3067	0.3976	0.3223	0.3075	0.3266	0.3127	0.3257	0.3594	0.1866	0.3450	0.3719	0.3484	0.2544	0.2009	0.1709	0.1836	0.2096	0.1682	0.1317	0.1470	0.1346	0.1766	0.1401	0.1296	0.1544	0.1453	0.1181	0.1115	0.1211	0.1014	0.1184	0.1453	0.1452	0.1162	0.1439	0.1647	0.0898	0.0659	0.1462	0.1254	0.1190	0.1073	0.1202
PG38:2	0.0113	0.0105	0.0107	0.0121	0.0096	0.0101	0.0071	0.0100	0.0110	0.0130	0.0113	0.0122	0.0085	0.0097	0.0092	0.0109	0.0104	0.0094	0.0111	0.0115	0.0108	0.0119	0.0104	0.0110	0.0087	0.0078	0.0098	0.0094	0.0089	0.0117	0.0136	0.0140	0.0152	0.0151	0.0145	0.0130	0.0116	0.0121	0.0111	0.0109	0.0116	0.0100	0.0065	0.0109	0.0105	0.0117	0.0100	0.0107	0.0114	0.0103	0.0076	0.0087	0.0088	0.0094	0.0080	0.0058	0.0127	0.0208	0.0134	0.0140	0.0097	0.0080	0.0179	0.0129	0.0119	0.0124	0.0133	0.0113	0.0105	0.0084	0.0076	0.0094	0.0084	0.0097	0.0070	0.0090	0.0174	0.0070	0.0090	0.0070	0.0060	0.0096	0.0140	0.0091	0.0058	0.0103	0.0112	0.0103	0.0113	0.0099	0.0069	0.0079	0.0090	0.0090	0.0084	0.0082	0.0088	0.0086	0.0082	0.0072	0.0079	0.0068	0.0077	0.0092	0.0094	0.0092	0.0091	0.0095	0.0062	0.0037	0.0062	0.0054	0.0101	0.0002	0.0054
phenylalanine	13.3126	14.0662	13.1709	14.4558	13.5329	13.3972	14.8420	14.7807	14.5510	15.2175	14.4866	14.7361	15.6398	14.6104	15.4594	15.3858	15.0632	15.1919	15.5503	15.6936	15.5647	15.2417	15.1112	15.3129	12.4723	12.3581	13.3440	13.3551	12.9792	12.8997	15.8539	16.7528	17.9265	17.7038	17.0592	16.4756	16.5620	17.2043	17.5234	16.6202	19.4372	15.4266	15.3223	15.9435	16.4328	18.5869	16.5358	14.8098	16.7631	16.3738	18.1967	14.0871	14.8376	13.8072	13.7758	13.0441	14.5895	15.0937	14.1951	15.1866	15.0095	13.7801	18.3024	19.3227	17.8453	18.1830	18.1035	16.8642	17.4527	16.1988	17.2404	15.1222	16.0114	15.8109	15.2263	15.1781	16.6115	15.4694	15.2064	15.6995	15.3585	14.8968	13.8305	15.2428	13.9877	14.8553	14.2781	14.2575	14.1155	13.8685	13.5299	14.8706	14.3153	14.3513	14.1194	14.3004	14.7210	14.9623	14.7586	14.4905	14.1050	14.2989	14.2890	15.4611	16.6595	15.2034	15.7773	16.3111	16.4930	9.2747	9.5640	9.5596	9.5505	9.6236	9.7657
pyroglutamic acid	0.0616	0.0535	0.0628	0.0571	0.0615	0.0633	0.0725	0.0684	0.0713	0.0800	0.0632	0.0686	0.0799	0.0694	0.0589	0.0663	0.0771	0.0733	0.0653	0.0739	0.0747	0.0736	0.0790	0.0753	0.0657	0.0741	0.0742	0.0720	0.0737	0.0734	0.0442	0.0652	0.0631	0.0551	0.0569	0.0522	0.0525	0.0568	0.0617	0.0568	0.0509	0.0571	0.0573	0.0601	0.0582	0.0545	0.0601	0.0558	0.0626	0.0603	0.0619	0.0287	0.0278	0.0463	0.0301	0.0411	0.0355	0.0366	0.0407	0.0418	0.0360	0.0355	0.0398	0.0489	0.0452	0.0367	0.0417	0.0380	0.0440	0.0411	0.0356	0.0425	0.0394	0.0440	0.0438	0.0380	0.0426	0.0432	0.0429	0.0426	0.0431	0.0435	0.0405	0.0421	0.0365	0.0424	0.0261	0.0410	0.0392	0.0286	0.0373	0.0458	0.0350	0.0424	0.0412	0.0345	0.0377	0.0416	0.0395	0.0354	0.0379	0.0383	0.0319	0.0472	0.0435	0.0476	0.0482	0.0517	0.0456	0.0291	0.0271	0.0323	0.0321	0.0335	0.0220
serine	0.0025	0.0024	0.0030	0.0021	0.0030	0.0033	0.0030	0.0032	0.0027	0.0039	0.0038	0.0032	0.0035	0.0046	0.0030	0.0034	0.0029	0.0035	0.0082	0.0077	0.0057	0.0070	0.0082	0.0055	0.0199	0.0084	0.0107	0.0189	0.0152	0.0126	0.0075	0.0082	0.0083	0.0073	0.0078	0.0070	0.0073	0.0078	0.0082	0.0073	0.0061	0.0085	0.0108	0.0090	0.0089	0.0077	0.0124	0.0116	0.0145	0.0131	0.0106	0.0205	0.0210	0.0255	0.0170	0.0154	0.0048	0.0030	0.0033	0.0017	0.0041	0.0032	0.0038	0.0046	0.0043	0.0030	0.0040	0.0043	0.0057	0.0049	0.0034	0.0046	0.0042	0.0050	0.0055	0.0043	0.0051	0.0059	0.0055	0.0045	0.0063	0.0054	0.0052	0.0048	0.0047	0.0022	0.0021	0.0020	0.0031	0.0023	0.0037	0.0034	0.0028	0.0033	0.0031	0.0032	0.0033	0.0029	0.0026	0.0029	0.0032	0.0024	0.0026	0.0047	0.0037	0.0041	0.0053	0.0045	0.0034	0.0016	0.0015	0.0019	0.0020	0.0017	0.0013
serotonin	0.0126	0.0117	0.0114	0.0140	0.0124	0.0114	0.0130	0.0143	0.0123	0.0141	0.0123	0.0147	0.0144	0.0122	0.0131	0.0147	0.0130	0.0137	0.0130	0.0138	0.0142	0.0158	0.0148	0.0150	0.0113	0.0118	0.0141	0.0124	0.0126	0.0104	0.0117	0.0137	0.0144	0.0139	0.0134	0.0137	0.0137	0.0129	0.0162	0.0151	0.0159	0.0143	0.0109	0.0131	0.0124	0.0140	0.0128	0.0111	0.0138	0.0126	0.0138	0.0134	0.0108	0.0110	0.0098	0.0094	0.0105	0.0130	0.0122	0.0127	0.0128	0.0119	0.0156	0.0156	0.0144	0.0138	0.0146	0.0135	0.0142	0.0133	0.0125	0.0122	0.0123	0.0134	0.0129	0.0106	0.0146	0.0131	0.0136	0.0135	0.0118	0.0122	0.0122	0.0125	0.0107	0.0142	0.0142	0.0137	0.0135	0.0117	0.0122	0.0136	0.0151	0.0134	0.0131	0.0115	0.0131	0.0146	0.0141	0.0127	0.0138	0.0134	0.0122	0.0146	0.0149	0.0145	0.0142	0.0152	0.0141	0.0084	0.0081	0.0093	0.0095	0.0092	0.0088
sorbic acid	0.0082	0.0066	0.0074	0.0073	0.0079	0.0080	0.0084	0.0092	0.0089	0.0092	0.0070	0.0084	0.0097	0.0080	0.0077	0.0085	0.0095	0.0081	0.0082	0.0098	0.0087	0.0082	0.0094	0.0091	0.0080	0.0091	0.0081	0.0076	0.0083	0.0084	0.0071	0.0108	0.0112	0.0103	0.0099	0.0094	0.0107	0.0089	0.0114	0.0096	0.0119	0.0095	0.0088	0.0073	0.0094	0.0088	0.0104	0.0091	0.0107	0.0099	0.0120	0.0094	0.0065	0.0090	0.0071	0.0081	0.0091	0.0093	0.0100	0.0099	0.0109	0.0076	0.0097	0.0107	0.0099	0.0102	0.0101	0.0101	0.0104	0.0096	0.0090	0.0084	0.0090	0.0100	0.0100	0.0078	0.0101	0.0097	0.0098	0.0092	0.0091	0.0085	0.0092	0.0089	0.0086	0.0086	0.0091	0.0089	0.0087	0.0067	0.0081	0.0097	0.0073	0.0092	0.0092	0.0087	0.0086	0.0102	0.0084	0.0076	0.0097	0.0084	0.0071	0.0094	0.0080	0.0082	0.0097	0.0098	0.0100	0.0059	0.0053	0.0062	0.0062	0.0060	0.0053
sucrose	0.1466	0.2078	0.2401	0.1970	0.1890	0.4887	0.1058	0.0769	0.1242	0.0870	0.1637	0.0833	0.2242	0.5212	0.3252	0.3195	0.1782	0.2216	0.2179	0.2622	0.1631	0.2196	0.1994	0.1472	0.0416	0.0468	0.0735	0.0485	0.0829	0.0590	1.9169	2.5787	3.5293	2.3659	2.5977	2.1757	1.6540	1.9090	1.9829	2.3036	2.2828	1.0131	0.7431	1.0194	0.7811	1.2610	0.7800	0.7731	0.7825	0.6028	0.9617	0.0380	0.0771	0.0725	0.2607	0.0745	5.5858	5.1902	5.0419	5.5093	5.1266	4.9931	3.2748	4.0963	3.7831	3.7455	3.7669	3.9349	2.4273	2.4132	2.3242	2.1158	2.1709	2.1257	1.6873	1.6231	1.7889	1.6892	1.5810	1.5990	2.1043	2.2282	2.2024	1.8330	1.9060	0.8614	0.6081	0.6646	0.8307	0.6392	1.2861	0.4353	0.2059	0.3034	0.2001	0.1829	0.3332	0.3215	0.2600	0.2047	0.2848	0.2104	0.3928	0.4025	0.3762	0.2592	0.2466	0.2107	0.2217	0.0217	0.0470	0.0252	0.0280	0.0196	0.0145
thiamine	0.0027	0.0034	0.0028	0.0028	0.0030	0.0031	0.0022	0.0032	0.0039	0.0036	0.0035	0.0037	0.0034	0.0034	0.0034	0.0038	0.0033	0.0033	0.0033	0.0034	0.0038	0.0031	0.0030	0.0035	0.0030	0.0032	0.0030	0.0032	0.0032	0.0036	0.0040	0.0044	0.0047	0.0048	0.0045	0.0018	0.0038	0.0037	0.0038	0.0039	0.0052	0.0038	0.0041	0.0040	0.0040	0.0045	0.0046	0.0046	0.0041	0.0041	0.0057	0.0027	0.0042	0.0025	0.0039	0.0028	0.0062	0.0045	0.0039	0.0043	0.0045	0.0042	0.0055	0.0051	0.0047	0.0049	0.0050	0.0047	0.0042	0.0020	0.0044	0.0042	0.0045	0.0038	0.0034	0.0034	0.0040	0.0038	0.0038	0.0039	0.0052	0.0040	0.0039	0.0034	0.0047	0.0036	0.0034	0.0033	0.0029	0.0030	0.0044	0.0033	0.0017	0.0033	0.0033	0.0032	0.0015	0.0033	0.0042	0.0028	0.0032	0.0031	0.0035	0.0036	0.0036	0.0037	0.0032	0.0038	0.0041	0.0027	0.0021	0.0022	0.0022	0.0019	0.0025
threonine/homoserine	0.0120	0.0082	0.0126	0.0084	0.0092	0.0101	0.0135	0.0131	0.0116	0.0149	0.0106	0.0124	0.0134	0.0112	0.0100	0.0103	0.0129	0.0138	0.0122	0.0176	0.0167	0.0153	0.0178	0.0176	0.0093	0.0077	0.0084	0.0101	0.0086	0.0088	0.0092	0.0146	0.0132	0.0108	0.0120	0.0102	0.0127	0.0114	0.0116	0.0115	0.0095	0.0150	0.0166	0.0156	0.0165	0.0139	0.0183	0.0160	0.0204	0.0187	0.0182	0.0076	0.0100	0.0091	0.0062	0.0103	0.0075	0.0061	0.0072	0.0089	0.0068	0.0074	0.0065	0.0099	0.0091	0.0076	0.0082	0.0078	0.0101	0.0075	0.0087	0.0097	0.0099	0.0104	0.0101	0.0078	0.0091	0.0114	0.0105	0.0109	0.0113	0.0111	0.0096	0.0098	0.0100	0.0099	0.0058	0.0088	0.0088	0.0065	0.0100	0.0103	0.0085	0.0095	0.0090	0.0089	0.0086	0.0094	0.0073	0.0080	0.0083	0.0082	0.0068	0.0117	0.0099	0.0099	0.0145	0.0118	0.0138	0.0054	0.0034	0.0053	0.0047	0.0044	0.0034
tyrosine	0.0207	0.0171	0.0218	0.0194	0.0158	0.0162	0.0204	0.0204	0.0204	0.0259	0.0173	0.0211	0.0179	0.0160	0.0136	0.0142	0.0171	0.0226	0.0208	0.0198	0.0206	0.0219	0.0232	0.0226	0.0113	0.0114	0.0148	0.0072	0.0144	0.0129	0.0244	0.0328	0.0309	0.0337	0.0304	0.0295	0.0243	0.0281	0.0324	0.0264	0.0234	0.0423	0.0371	0.0416	0.0439	0.0373	0.0348	0.0353	0.0359	0.0253	0.0427	0.0104	0.0179	0.0172	0.0105	0.0132	0.0219	0.0221	0.0150	0.0227	0.0201	0.0182	0.0215	0.0265	0.0244	0.0211	0.0234	0.0236	0.0229	0.0240	0.0234	0.0308	0.0290	0.0305	0.0281	0.0275	0.0319	0.0381	0.0270	0.0320	0.0246	0.0256	0.0256	0.0272	0.0271	0.0150	0.0109	0.0125	0.0136	0.0119	0.0137	0.0155	0.0133	0.0128	0.0132	0.0114	0.0119	0.0126	0.0093	0.0123	0.0114	0.0118	0.0053	0.0154	0.0157	0.0133	0.0214	0.0170	0.0152	0.0049	0.0055	0.0071	0.0073	0.0057	0.0058
UDP-G	0.1261	0.1217	0.1352	0.0795	0.1146	0.1797	0.1422	0.1076	0.1264	0.1312	0.1359	0.0964	0.2399	0.2522	0.2047	0.1885	0.2378	0.2402	0.3135	0.3572	0.3451	0.2697	0.3415	0.3440	0.0261	0.0200	0.0269	0.0296	0.0285	0.0287	0.2058	0.2515	0.2603	0.1448	0.2156	0.1879	0.2120	0.2532	0.2352	0.2484	0.1899	0.2562	0.2778	0.2687	0.1960	0.2712	0.3169	0.3136	0.2916	0.3294	0.3328	0.0653	0.0618	0.0509	0.0438	0.0442	0.2978	0.1996	0.2997	0.3279	0.2741	0.3015	0.2208	0.3021	0.2790	0.2975	0.2793	0.2972	0.3283	0.2489	0.2299	0.2448	0.3112	0.3145	0.3928	0.3161	0.3162	0.3616	0.3254	0.3560	0.4891	0.4603	0.4358	0.4128	0.4449	0.2584	0.1264	0.2289	0.2773	0.1829	0.2848	0.2203	0.1318	0.2216	0.1785	0.1733	0.2195	0.2483	0.1930	0.2241	0.2587	0.2183	0.2299	0.3476	0.3196	0.2582	0.3155	0.3274	0.3107	0.0081	0.0075	0.0072	0.0077	0.0097	0.0085
UDP-GlcNAc	0.1402	0.1196	0.1430	0.1085	0.1149	0.1404	0.1792	0.1520	0.1590	0.1822	0.1595	0.1539	0.1453	0.1465	0.1300	0.1316	0.1566	0.1475	0.1750	0.1798	0.1738	0.1589	0.1712	0.1735	0.0701	0.0645	0.0662	0.0801	0.0689	0.0732	0.0793	0.0972	0.0996	0.0778	0.0885	0.0904	0.0874	0.1091	0.1023	0.1024	0.0789	0.1130	0.1326	0.1262	0.1177	0.1232	0.1372	0.1396	0.1296	0.1474	0.1322	0.0236	0.0285	0.0350	0.0283	0.0332	0.0883	0.0762	0.0880	0.1022	0.0790	0.0901	0.0736	0.0893	0.0825	0.0969	0.0884	0.0996	0.0969	0.0871	0.0956	0.1032	0.1068	0.1109	0.1273	0.1150	0.1103	0.1184	0.1151	0.1113	0.1408	0.1306	0.1284	0.1133	0.1271	0.1444	0.0789	0.1331	0.1473	0.1082	0.1429	0.1458	0.1067	0.1380	0.1353	0.1248	0.1371	0.1378	0.1188	0.1312	0.1349	0.1201	0.1241	0.1593	0.1675	0.1529	0.1710	0.1686	0.1706	0.0746	0.0590	0.0710	0.0675	0.0615	0.0517
UMP	0.0168	0.0189	0.0239	0.0199	0.0161	0.0299	0.0229	0.0108	0.0255	0.0200	0.0243	0.0234	0.0299	0.0234	0.0208	0.0262	0.0219	0.0171	0.0377	0.0240	0.0268	0.0321	0.0299	0.0231	0.0160	0.0151	0.0123	0.0151	0.0156	0.0152	0.0278	0.0260	0.0298	0.0186	0.0256	0.0278	0.0166	0.0246	0.0199	0.0215	0.0216	0.0269	0.0252	0.0318	0.0179	0.0259	0.0245	0.0278	0.0219	0.0239	0.0243	0.0083	0.0104	0.0071	0.0093	0.0090	0.0236	0.0330	0.0244	0.0265	0.0238	0.0283	0.0265	0.0220	0.0203	0.0243	0.0235	0.0244	0.0192	0.0314	0.0202	0.0099	0.0208	0.0193	0.0265	0.0295	0.0329	0.0208	0.0217	0.0208	0.0353	0.0282	0.0253	0.0191	0.0302	0.0251	0.0194	0.0245	0.0205	0.0178	0.0340	0.0153	0.0191	0.0137	0.0152	0.0151	0.0265	0.0214	0.0290	0.0190	0.0140	0.0176	0.0169	0.0266	0.0382	0.0358	0.0292	0.0265	0.0320	0.0077	0.0084	0.0057	0.0053	0.0078	0.0071
valine	0.0050	0.0035	0.0037	0.0032	0.0035	0.0034	0.0053	0.0052	0.0044	0.0064	0.0034	0.0048	0.0051	0.0037	0.0035	0.0035	0.0045	0.0035	0.0037	0.0049	0.0060	0.0045	0.0049	0.0046	0.0022	0.0024	0.0030	0.0021	0.0027	0.0023	0.0018	0.0031	0.0023	0.0017	0.0022	0.0024	0.0021	0.0023	0.0030	0.0020	0.0014	0.0039	0.0043	0.0037	0.0034	0.0032	0.0042	0.0040	0.0042	0.0042	0.0045	0.0005	0.0018	0.0009	0.0006	0.0014	0.0015	0.0015	0.0016	0.0017	0.0015	0.0014	0.0021	0.0019	0.0018	0.0018	0.0020	0.0024	0.0023	0.0026	0.0023	0.0029	0.0023	0.0033	0.0034	0.0024	0.0031	0.0037	0.0026	0.0029	0.0033	0.0030	0.0027	0.0030	0.0023	0.0031	0.0017	0.0026	0.0029	0.0017	0.0023	0.0030	0.0026	0.0023	0.0028	0.0023	0.0025	0.0024	0.0023	0.0020	0.0022	0.0021	0.0018	0.0033	0.0031	0.0027	0.0035	0.0032	0.0025	0.0010	0.0008	0.0015	0.0011	0.0010	0.0007
xanthine	0.3509	0.3699	0.3323	0.3498	0.3505	0.3125	0.4218	0.3704	0.4273	0.4113	0.3757	0.4103	0.4374	0.3449	0.3797	0.3720	0.4031	0.3975	0.4327	0.3717	0.4026	0.4213	0.4034	0.4033	0.3567	0.3695	0.3759	0.3511	0.3410	0.3878	0.3019	0.2837	0.1758	0.3281	0.2724	0.3178	0.3165	0.3457	0.3463	0.3047	0.3964	0.3597	0.3860	0.3587	0.4073	0.4465	0.4040	0.3624	0.4154	0.3827	0.4552	0.4022	0.4373	0.3574	0.3842	0.3721	0.1687	0.1279	0.1617	0.1182	0.1704	0.1635	0.2783	0.1402	0.1295	0.1663	0.1728	0.1497	0.3044	0.3402	0.3516	0.3129	0.3336	0.2849	0.2829	0.2947	0.3446	0.3269	0.3110	0.3289	0.2960	0.2585	0.2519	0.2563	0.2512	0.3702	0.3255	0.3462	0.2977	0.3129	0.2761	0.3589	0.3605	0.3606	0.3830	0.3766	0.3809	0.3577	0.3150	0.3748	0.3031	0.3306	0.3416	0.3782	0.4250	0.4237	0.3944	0.4107	0.4449	0.2652	0.2563	0.2657	0.2538	0.2466	0.2594
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
2-phenylglycine	3866			55484	CHEBI			150.06	
adenine	190		C00147	16708	CHEBI			134.05	
adenosine	60961		C00212	16335	CHEBI			266.09	
ADP	6022		C00008	16761	CHEBI			426.02	
ADP, Na-2H adduct			C00008	16761	CHEBI			426.02	
ala-glu				61565	CHEBI			217.08	
benzoic acid	243		C00180	30746	CHEBI			121.03	
cGMP				28181	CHEBI			344.03	
deoxyinosine				28997	CHEBI			251.08	
diamino-pimelic acid	865			23673	CHEBI			189.09	
disaccharides (trehalose)				16551	CHEBI			341.11	
fumaric acid	444972		C00122	18012	CHEBI			115.00	
galactosamine	318324			28328	CHEBI			178.07	
galactose	6036		C00124	28260	CHEBI			179.06	
glucose	5793		C00031	17234	CHEBI			179.05	
glucose-1-phosphate	65533		C11450	29042	CHEBI			259.02	
glucose, Cl adduct			C00031	17234	CHEBI			215.03	
glutamic acid	33032		C00025	16015	CHEBI			146.05	
glutamine	5961		C00064	18050	CHEBI			145.06	
glutathione	124886		C00051	16856	CHEBI			306.08	
inosine	6021		C00294	17596	CHEBI			267.08	
L-2,3-Dihydrodipicolinate				23741	CHEBI			168.03	
lysine	5962		C00047	18019	CHEBI			145.10	
N-acetyl-galactosamine	35717		C01132		CHEBI			220.08	
N-acetyl-glutamic acid	70914		C00624	17533	CHEBI			188.06	
N-acetyl-neuraminic acid	444885		C19909	35418	CHEBI			308.11	
oxoproline	7405		C01879	25801	CHEBI			128.03	
PA34:1				16337	CHEBI			673.48	
PA36:2				16337	CHEBI			699.50	
pantothenic acid	988		C00864	7916	CHEBI			218.10	
PG32:0				75195	CHEBI			721.50	
PG32:1				75196	CHEBI			719.48	
PG33:1					CHEBI			733.50	
PG34:0					CHEBI			749.52	
PG34:1					CHEBI			747.51	
PG34:2					CHEBI			745.50	
PG35:2					CHEBI			759.51	
PG36:0					CHEBI			777.54	
PG36:2				75200	CHEBI			773.53	
PG36:3					CHEBI			771.51	
PG37:2					CHEBI			787.54	
PG38:2					CHEBI			801.54	
phenylalanine	6140		C00079	17295	CHEBI			164.07	
pyroglutamic acid	7405		C01879	18183	CHEBI			128.04	
serine	5951		C00065	17115	CHEBI			104.04	
serotonin	5202		C00780	28790	CHEBI			175.09	
sorbic acid	643460			35962	CHEBI			111.05	
sucrose	5988		C00089	17992	CHEBI			341.11	
thiamine	1130		C00378	18385	CHEBI			263.10	
threonine/homoserine				16857;15699	CHEBI			118.05	
tyrosine	6057		C00082	17895	CHEBI			180.07	
UDP-G				18066	CHEBI			565.05	
UDP-GlcNAc	445675		C00043	16264	CHEBI			606.07	
UMP	6030		C00105	16695	CHEBI			323.03	
valine	6287		C00183	16414	CHEBI			116.07	
xanthine	1188		C00385	15318	CHEBI			283.07	
METABOLITES_END
#END