#METABOLOMICS WORKBENCH mueller3@niehs.nih.gov_20160923_073737 DATATRACK_ID:748 STUDY_ID:ST000486 ANALYSIS_ID:AN000768 PROJECT_ID:PR000377 VERSION 1 CREATED_ON September 23, 2016, 8:25 am #PROJECT PR:PROJECT_TITLE Pollen Metabolomics PR:PROJECT_SUMMARY An NMR metabolic analysis of 26 different pollens PR:INSTITUTE NIEHS PR:LAST_NAME Mueller PR:FIRST_NAME Geoffrey PR:ADDRESS 111 T.W. Alexander Drive,MDMR01, Research Triangle Park, NC 27709 PR:EMAIL mueller3@niehs.nih.gov PR:PHONE 9195413872 PR:FUNDING_SOURCE NIEHS Intramural program #STUDY ST:STUDY_TITLE Pollen metabolomics ST:STUDY_SUMMARY NMR metabolomic analysis of pollens ST:INSTITUTE NIEHS ST:LAST_NAME Mueller ST:FIRST_NAME Geoffrey ST:ADDRESS 111 TW Alexander Dr, MDMR01, RTP, NC 27709 ST:EMAIL mueller3@niehs.nih.gov ST:PHONE 9195413872 #SUBJECT SU:SUBJECT_TYPE pollen SU:SUBJECT_SPECIES Various #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Cynadon dactylon CD1 Group:Grass Code=CD SUBJECT_SAMPLE_FACTORS Cynadon dactylon CD2 Group:Grass Code=CD SUBJECT_SAMPLE_FACTORS Cynadon dactylon CD3 Group:Grass Code=CD SUBJECT_SAMPLE_FACTORS Cynadon dactylon CD4 Group:Grass Code=CD SUBJECT_SAMPLE_FACTORS Cynadon dactylon CD5 Group:Grass Code=CD SUBJECT_SAMPLE_FACTORS Festuca pratensis FP1 Group:Grass Code=FP SUBJECT_SAMPLE_FACTORS Festuca pratensis FP2 Group:Grass Code=FP SUBJECT_SAMPLE_FACTORS Festuca pratensis FP3 Group:Grass Code=FP SUBJECT_SAMPLE_FACTORS Festuca pratensis FP4 Group:Grass Code=FP SUBJECT_SAMPLE_FACTORS Festuca pratensis FP5 Group:Grass Code=FP SUBJECT_SAMPLE_FACTORS Poa pratensis KP1 Group:Grass Code=KP SUBJECT_SAMPLE_FACTORS Poa pratensis KP2 Group:Grass Code=KP SUBJECT_SAMPLE_FACTORS Poa pratensis KP3 Group:Grass Code=KP SUBJECT_SAMPLE_FACTORS Poa pratensis KP4 Group:Grass Code=KP SUBJECT_SAMPLE_FACTORS Poa pratensis KP5 Group:Grass Code=KP SUBJECT_SAMPLE_FACTORS Lolium perenne LP1 Group:Grass Code=LP SUBJECT_SAMPLE_FACTORS Lolium perenne LP2 Group:Grass Code=LP SUBJECT_SAMPLE_FACTORS Lolium perenne LP3 Group:Grass Code=LP SUBJECT_SAMPLE_FACTORS Lolium perenne LP4 Group:Grass Code=LP SUBJECT_SAMPLE_FACTORS Lolium perenne LP5 Group:Grass Code=LP SUBJECT_SAMPLE_FACTORS Pheleum pratense TP1 Group:Grass Code=TP SUBJECT_SAMPLE_FACTORS Pheleum pratense TP2 Group:Grass Code=TP SUBJECT_SAMPLE_FACTORS Pheleum pratense TP3 Group:Grass Code=TP SUBJECT_SAMPLE_FACTORS Pheleum pratense TP4 Group:Grass Code=TP SUBJECT_SAMPLE_FACTORS Pheleum pratense TP5 Group:Grass Code=TP SUBJECT_SAMPLE_FACTORS Triticum aestivum TA1 Group:Grass Code=TA SUBJECT_SAMPLE_FACTORS Triticum aestivum TA2 Group:Grass Code=TA SUBJECT_SAMPLE_FACTORS Triticum aestivum TA3 Group:Grass Code=TA SUBJECT_SAMPLE_FACTORS Triticum aestivum TA4 Group:Grass Code=TA SUBJECT_SAMPLE_FACTORS Triticum aestivum TA5 Group:Grass Code=TA SUBJECT_SAMPLE_FACTORS Sorghum halepense SH1 Group:Grass Code=SH SUBJECT_SAMPLE_FACTORS Sorghum halepense SH2 Group:Grass Code=SH SUBJECT_SAMPLE_FACTORS Sorghum halepense SH3 Group:Grass Code=SH SUBJECT_SAMPLE_FACTORS Sorghum halepense SH4 Group:Grass Code=SH SUBJECT_SAMPLE_FACTORS Sorghum halepense SH5 Group:Grass Code=SH SUBJECT_SAMPLE_FACTORS Zea mays ZM1 Group:Grass Code=ZM SUBJECT_SAMPLE_FACTORS Zea mays ZM2 Group:Grass Code=ZM SUBJECT_SAMPLE_FACTORS Zea mays ZM3 Group:Grass Code=ZM SUBJECT_SAMPLE_FACTORS Zea mays ZM4 Group:Grass Code=ZM SUBJECT_SAMPLE_FACTORS Zea mays ZM5 Group:Grass Code=ZM SUBJECT_SAMPLE_FACTORS Ambrosia artemisifolia AA1 Group:Weed Code=AA SUBJECT_SAMPLE_FACTORS Ambrosia artemisifolia AA2 Group:Weed Code=AA SUBJECT_SAMPLE_FACTORS Ambrosia artemisifolia AA3 Group:Weed Code=AA SUBJECT_SAMPLE_FACTORS Ambrosia artemisifolia AA4 Group:Weed Code=AA SUBJECT_SAMPLE_FACTORS Ambrosia artemisifolia AA5 Group:Weed Code=AA SUBJECT_SAMPLE_FACTORS Ambrosia psilostachy AP1 Group:Weed Code=AP SUBJECT_SAMPLE_FACTORS Ambrosia psilostachy AP2 Group:Weed Code=AP SUBJECT_SAMPLE_FACTORS Ambrosia psilostachy AP3 Group:Weed Code=AP SUBJECT_SAMPLE_FACTORS Ambrosia psilostachy AP4 Group:Weed Code=AP SUBJECT_SAMPLE_FACTORS Ambrosia psilostachy AP5 Group:Weed Code=AP SUBJECT_SAMPLE_FACTORS Atermisia vulgaris MW1 Group:Weed Code=MW SUBJECT_SAMPLE_FACTORS Atermisia vulgaris MW2 Group:Weed Code=MW SUBJECT_SAMPLE_FACTORS Atermisia vulgaris MW3 Group:Weed Code=MW SUBJECT_SAMPLE_FACTORS Atermisia vulgaris MW4 Group:Weed Code=MW SUBJECT_SAMPLE_FACTORS Atermisia vulgaris MW5 Group:Weed Code=MW SUBJECT_SAMPLE_FACTORS Amaranthus retroflexus PW1 Group:Weed Code=PW SUBJECT_SAMPLE_FACTORS Amaranthus retroflexus PW2 Group:Weed Code=PW SUBJECT_SAMPLE_FACTORS Amaranthus retroflexus PW3 Group:Weed Code=PW SUBJECT_SAMPLE_FACTORS Amaranthus retroflexus PW4 Group:Weed Code=PW SUBJECT_SAMPLE_FACTORS Amaranthus retroflexus PW5 Group:Weed Code=PW SUBJECT_SAMPLE_FACTORS Urtica dioica UD1 Group:Weed Code=UD SUBJECT_SAMPLE_FACTORS Urtica dioica UD2 Group:Weed Code=UD SUBJECT_SAMPLE_FACTORS Urtica dioica UD3 Group:Weed Code=UD SUBJECT_SAMPLE_FACTORS Urtica dioica UD4 Group:Weed Code=UD SUBJECT_SAMPLE_FACTORS Urtica dioica UD5 Group:Weed Code=UD SUBJECT_SAMPLE_FACTORS Ulmus americana UA1 Group:Tree Code=UA SUBJECT_SAMPLE_FACTORS Ulmus americana UA2 Group:Tree Code=UA SUBJECT_SAMPLE_FACTORS Ulmus americana UA3 Group:Tree Code=UA SUBJECT_SAMPLE_FACTORS Ulmus americana UA4 Group:Tree Code=UA SUBJECT_SAMPLE_FACTORS Ulmus americana UA5 Group:Tree Code=UA SUBJECT_SAMPLE_FACTORS Betula pendula BP1 Group:Tree Code=BP SUBJECT_SAMPLE_FACTORS Betula pendula BP2 Group:Tree Code=BP SUBJECT_SAMPLE_FACTORS Betula pendula BP3 Group:Tree Code=BP SUBJECT_SAMPLE_FACTORS Betula pendula BP4 Group:Tree Code=BP SUBJECT_SAMPLE_FACTORS Betula pendula BP5 Group:Tree Code=BP SUBJECT_SAMPLE_FACTORS Corylus americana CA1 Group:Tree Code=CA SUBJECT_SAMPLE_FACTORS Corylus americana CA2 Group:Tree Code=CA SUBJECT_SAMPLE_FACTORS Corylus americana CA3 Group:Tree Code=CA SUBJECT_SAMPLE_FACTORS Corylus americana CA4 Group:Tree Code=CA SUBJECT_SAMPLE_FACTORS Corylus americana CA5 Group:Tree Code=CA SUBJECT_SAMPLE_FACTORS Carya illinoisensis CI1 Group:Tree Code=CI SUBJECT_SAMPLE_FACTORS Carya illinoisensis CI2 Group:Tree Code=CI SUBJECT_SAMPLE_FACTORS Carya illinoisensis CI3 Group:Tree Code=CI SUBJECT_SAMPLE_FACTORS Carya illinoisensis CI4 Group:Tree Code=CI SUBJECT_SAMPLE_FACTORS Carya illinoisensis CI5 Group:Tree Code=CI SUBJECT_SAMPLE_FACTORS Juglans regia JR1 Group:Tree Code=JR SUBJECT_SAMPLE_FACTORS Juglans regia JR2 Group:Tree Code=JR SUBJECT_SAMPLE_FACTORS Juglans regia JR3 Group:Tree Code=JR SUBJECT_SAMPLE_FACTORS Juglans regia JR4 Group:Tree Code=JR SUBJECT_SAMPLE_FACTORS Juglans regia JR5 Group:Tree Code=JR SUBJECT_SAMPLE_FACTORS Quercus alba QA1 Group:Tree Code=QA SUBJECT_SAMPLE_FACTORS Quercus alba QA2 Group:Tree Code=QA SUBJECT_SAMPLE_FACTORS Quercus alba QA3 Group:Tree Code=QA SUBJECT_SAMPLE_FACTORS Quercus alba QA4 Group:Tree Code=QA SUBJECT_SAMPLE_FACTORS Quercus alba QA5 Group:Tree Code=QA SUBJECT_SAMPLE_FACTORS Quercus rubra QR1 Group:Tree Code=QR SUBJECT_SAMPLE_FACTORS Quercus rubra QR2 Group:Tree Code=QR SUBJECT_SAMPLE_FACTORS Quercus rubra QR3 Group:Tree Code=QR SUBJECT_SAMPLE_FACTORS Quercus rubra QR4 Group:Tree Code=QR SUBJECT_SAMPLE_FACTORS Quercus rubra QR5 Group:Tree Code=QR SUBJECT_SAMPLE_FACTORS Olea europa OE1 Group:Tree Code=OE SUBJECT_SAMPLE_FACTORS Olea europa OE2 Group:Tree Code=OE SUBJECT_SAMPLE_FACTORS Olea europa OE3 Group:Tree Code=OE SUBJECT_SAMPLE_FACTORS Olea europa OE4 Group:Tree Code=OE SUBJECT_SAMPLE_FACTORS Olea europa OE5 Group:Tree Code=OE SUBJECT_SAMPLE_FACTORS Fraxinus americana FA1 Group:Tree Code=FA SUBJECT_SAMPLE_FACTORS Fraxinus americana FA2 Group:Tree Code=FA SUBJECT_SAMPLE_FACTORS Fraxinus americana FA3 Group:Tree Code=FA SUBJECT_SAMPLE_FACTORS Fraxinus americana FA4 Group:Tree Code=FA SUBJECT_SAMPLE_FACTORS Fraxinus americana FA5 Group:Tree Code=FA SUBJECT_SAMPLE_FACTORS Acer rubrum AR1 Group:Tree Code=AR SUBJECT_SAMPLE_FACTORS Acer rubrum AR2 Group:Tree Code=AR SUBJECT_SAMPLE_FACTORS Acer rubrum AR3 Group:Tree Code=AR SUBJECT_SAMPLE_FACTORS Acer rubrum AR4 Group:Tree Code=AR SUBJECT_SAMPLE_FACTORS Acer rubrum AR5 Group:Tree Code=AR SUBJECT_SAMPLE_FACTORS Pinus taeda PT1 Group:Tree Code=PT SUBJECT_SAMPLE_FACTORS Pinus taeda PT2 Group:Tree Code=PT SUBJECT_SAMPLE_FACTORS Pinus taeda PT3 Group:Tree Code=PT SUBJECT_SAMPLE_FACTORS Pinus taeda PT4 Group:Tree Code=PT SUBJECT_SAMPLE_FACTORS Pinus taeda PT5 Group:Tree Code=PT SUBJECT_SAMPLE_FACTORS Cupresus arizonica AZ1 Group:Tree Code=AZ SUBJECT_SAMPLE_FACTORS Cupresus arizonica AZ2 Group:Tree Code=AZ SUBJECT_SAMPLE_FACTORS Cupresus arizonica AZ3 Group:Tree Code=AZ SUBJECT_SAMPLE_FACTORS Cupresus arizonica AZ4 Group:Tree Code=AZ SUBJECT_SAMPLE_FACTORS Cupresus arizonica AZ5 Group:Tree Code=AZ SUBJECT_SAMPLE_FACTORS Juiperus ashei JA1 Group:Tree Code=JA SUBJECT_SAMPLE_FACTORS Juiperus ashei JA2 Group:Tree Code=JA SUBJECT_SAMPLE_FACTORS Juiperus ashei JA3 Group:Tree Code=JA SUBJECT_SAMPLE_FACTORS Juiperus ashei JA4 Group:Tree Code=JA SUBJECT_SAMPLE_FACTORS Juiperus ashei JA5 Group:Tree Code=JA #COLLECTION CO:COLLECTION_SUMMARY Acquired pollen from Greer Laboratories #TREATMENT TR:TREATMENT_SUMMARY none #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 10 mg/ml pollen extract in 2H-PBS for 30 minutes at 37C #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Varian 600 Cold Probe NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 600 #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS mM NMR_METABOLITE_DATA_START metabolite_name CD1 CD2 CD3 CD4 CD5 FP1 FP2 FP3 FP4 FP5 KP1 KP2 KP3 KP4 KP5 LP1 LP2 LP3 LP4 LP5 TP1 TP2 TP3 TP4 TP5 TA1 TA2 TA3 TA4 TA5 SH1 SH2 SH3 SH4 SH5 ZM1 ZM2 ZM3 ZM4 ZM5 AA1 AA2 AA3 AA4 AA5 AP1 AP2 AP3 AP4 AP5 MW1 MW2 MW3 MW4 MW5 PW1 PW2 PW3 PW4 PW5 UD1 UD2 UD3 UD4 UD5 UA1 UA2 UA3 UA4 UA5 BP1 BP2 BP3 BP4 BP5 CA1 CA2 CA3 CA4 CA5 CI1 CI2 CI3 CI4 CI5 JR1 JR2 JR3 JR4 JR5 QA1 QA2 QA3 QA4 QA5 QR1 QR2 QR3 QR4 QR5 OE1 OE2 OE3 OE4 OE5 FA1 FA2 FA3 FA4 FA5 AR1 AR2 AR3 AR4 AR5 PT1 PT2 PT3 PT4 PT5 AZ1 AZ2 AZ3 AZ4 AZ5 JA1 JA2 JA3 JA4 JA5 4-Aminobutyrate 1.21E-01 1.16E-01 1.39E-01 1.27E-01 1.09E-01 1.71E-01 1.67E-01 1.75E-01 1.92E-01 1.67E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.20E-02 5.20E-02 5.80E-02 5.90E-02 6.00E-02 2.11E-01 2.14E-01 1.92E-01 2.09E-01 2.07E-01 1.76E-01 2.23E-01 2.35E-01 2.36E-01 2.19E-01 9.60E-02 1.05E-01 9.70E-02 1.06E-01 8.90E-02 1.51E-01 1.14E-01 1.46E-01 1.35E-01 1.11E-01 6.10E-02 4.90E-02 5.40E-02 5.40E-02 5.10E-02 1.16E-01 1.44E-01 1.60E-01 1.65E-01 1.53E-01 7.80E-02 1.00E-01 9.80E-02 1.18E-01 1.01E-01 2.82E-01 2.92E-01 2.69E-01 2.57E-01 2.46E-01 1.53E-01 1.40E-01 1.45E-01 1.55E-01 1.39E-01 9.70E-02 1.11E-01 1.01E-01 9.80E-02 9.00E-02 9.80E-02 1.14E-01 9.30E-02 8.50E-02 9.10E-02 2.40E-02 2.10E-02 2.60E-02 2.60E-02 2.90E-02 4.10E-02 3.70E-02 4.30E-02 3.70E-02 4.90E-02 6.50E-02 7.40E-02 7.60E-02 8.20E-02 7.00E-02 1.00E-01 1.00E-01 8.60E-02 9.80E-02 8.50E-02 1.29E-01 1.35E-01 1.50E-01 1.40E-01 1.30E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.60E-02 1.20E-02 1.40E-02 1.30E-02 6.00E-03 8.80E-02 8.40E-02 7.50E-02 8.40E-02 8.50E-02 6.00E-03 7.00E-03 6.00E-03 6.00E-03 6.00E-03 1.20E-02 1.20E-02 1.30E-02 1.20E-02 1.30E-02 AMP 1.90E-02 1.40E-02 1.30E-02 1.40E-02 1.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.20E-02 1.10E-02 9.00E-03 1.20E-02 5.00E-03 2.00E-03 4.00E-03 3.00E-03 3.00E-03 4.00E-03 3.00E-03 7.00E-03 6.00E-03 4.00E-03 6.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 1.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 4.00E-03 5.00E-03 5.00E-03 2.60E-02 2.10E-02 1.70E-02 1.80E-02 1.90E-02 5.00E-03 4.00E-03 7.00E-03 6.00E-03 5.00E-03 9.00E-03 8.00E-03 7.00E-03 7.00E-03 6.00E-03 1.40E-02 1.20E-02 9.00E-03 1.40E-02 1.10E-02 5.00E-03 7.00E-03 8.00E-03 5.00E-03 9.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 8.00E-03 1.50E-02 8.00E-03 7.00E-03 9.00E-03 6.00E-03 4.00E-03 9.00E-03 6.00E-03 5.00E-03 1.60E-02 2.00E-02 1.80E-02 1.60E-02 1.60E-02 1.70E-02 1.70E-02 1.70E-02 1.80E-02 2.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Adenine 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.50E-02 3.90E-02 4.20E-02 3.80E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Adenosine 2.90E-02 2.90E-02 3.00E-02 2.70E-02 3.00E-02 4.80E-02 4.60E-02 4.80E-02 4.80E-02 4.20E-02 4.70E-02 4.20E-02 4.50E-02 5.70E-02 4.60E-02 4.40E-02 4.70E-02 4.40E-02 4.70E-02 5.00E-02 5.40E-02 4.70E-02 4.60E-02 4.50E-02 4.90E-02 4.60E-02 5.20E-02 6.00E-02 6.10E-02 5.90E-02 5.90E-02 5.00E-02 4.70E-02 5.80E-02 5.10E-02 3.80E-02 2.70E-02 3.80E-02 3.10E-02 3.50E-02 2.70E-02 2.40E-02 2.10E-02 2.50E-02 2.50E-02 9.00E-03 1.10E-02 1.30E-02 1.30E-02 1.20E-02 2.50E-02 3.50E-02 3.70E-02 3.70E-02 2.90E-02 2.50E-02 3.00E-02 2.40E-02 2.40E-02 2.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.80E-02 5.60E-02 4.80E-02 5.10E-02 5.70E-02 3.20E-02 3.20E-02 3.10E-02 3.10E-02 3.30E-02 1.10E-02 1.20E-02 1.10E-02 1.00E-02 1.10E-02 1.30E-02 1.20E-02 1.40E-02 1.50E-02 1.70E-02 3.10E-02 3.00E-02 3.70E-02 3.80E-02 3.60E-02 3.60E-02 3.60E-02 3.40E-02 3.50E-02 3.00E-02 3.30E-02 3.50E-02 4.10E-02 3.50E-02 3.60E-02 2.00E-02 2.00E-02 1.80E-02 1.80E-02 1.80E-02 3.90E-02 4.30E-02 4.40E-02 3.80E-02 3.90E-02 1.80E-02 1.80E-02 1.80E-02 1.60E-02 1.60E-02 5.00E-03 4.00E-03 4.00E-03 4.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Alanine 5.80E-02 4.90E-02 5.60E-02 5.30E-02 4.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 7.00E-03 1.40E-02 7.00E-03 9.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.55E-01 1.84E-01 1.79E-01 2.02E-01 1.92E-01 8.80E-02 8.70E-02 8.30E-02 9.70E-02 8.60E-02 1.28E-01 1.04E-01 1.18E-01 1.13E-01 1.12E-01 6.80E-02 5.40E-02 5.50E-02 5.90E-02 5.70E-02 1.30E-01 1.47E-01 1.56E-01 1.74E-01 1.64E-01 5.20E-02 5.80E-02 6.50E-02 6.90E-02 6.00E-02 1.30E-01 1.38E-01 1.20E-01 1.17E-01 1.22E-01 6.90E-02 6.80E-02 8.10E-02 8.60E-02 7.80E-02 7.00E-03 8.00E-03 8.00E-03 6.00E-03 8.00E-03 2.90E-02 2.70E-02 2.70E-02 2.50E-02 2.80E-02 1.30E-02 1.50E-02 1.50E-02 1.40E-02 1.50E-02 3.40E-02 2.80E-02 3.00E-02 2.80E-02 3.50E-02 1.50E-02 1.60E-02 1.80E-02 1.50E-02 1.70E-02 3.70E-02 5.20E-02 3.50E-02 4.00E-02 3.70E-02 4.70E-02 4.70E-02 5.00E-02 5.10E-02 5.20E-02 2.10E-02 2.20E-02 2.10E-02 2.30E-02 2.10E-02 6.50E-02 5.70E-02 6.60E-02 5.30E-02 6.30E-02 1.70E-02 1.80E-02 1.60E-02 1.70E-02 1.90E-02 4.40E-02 4.40E-02 4.40E-02 4.50E-02 3.90E-02 2.00E-03 3.00E-03 2.00E-03 3.00E-03 2.00E-03 1.10E-02 1.10E-02 1.10E-02 1.20E-02 1.10E-02 Arginine 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.30E-02 3.20E-02 7.80E-02 3.10E-02 3.70E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 1.00E-03 3.00E-03 1.00E-02 9.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.15E-01 8.05E-01 6.86E-01 6.36E-01 7.24E-01 3.83E-01 3.29E-01 2.95E-01 3.05E-01 2.98E-01 2.28E-01 1.95E-01 3.00E-02 1.61E-01 2.18E-01 7.70E-02 6.80E-02 8.10E-02 6.00E-02 8.20E-02 2.11E-01 2.56E-01 2.41E-01 2.83E-01 2.36E-01 4.85E-01 4.79E-01 3.98E-01 4.74E-01 3.85E-01 4.12E-01 4.02E-01 4.83E-01 4.26E-01 4.00E-01 7.00E-02 6.70E-02 9.70E-02 1.14E-01 9.40E-02 1.71E-01 2.13E-01 1.91E-01 1.67E-01 1.97E-01 2.09E-01 2.03E-01 2.06E-01 1.98E-01 2.30E-01 1.73E-01 1.66E-01 1.94E-01 2.13E-01 1.69E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.00E-03 9.00E-03 8.00E-03 9.00E-03 6.00E-03 Asparagine 3.90E-02 6.70E-02 5.30E-02 4.50E-02 3.60E-02 3.10E-01 3.03E-01 3.29E-01 3.37E-01 3.13E-01 1.75E-01 1.43E-01 1.57E-01 2.03E-01 1.50E-01 1.45E-01 1.45E-01 1.06E-01 1.35E-01 1.39E-01 8.92E-01 7.98E-01 8.42E-01 8.01E-01 8.14E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.02E-01 3.40E-02 3.30E-02 6.80E-02 5.10E-02 4.90E-02 2.90E-02 4.10E-02 3.40E-02 4.10E-02 5.90E-02 3.70E-02 5.30E-02 2.90E-02 4.30E-02 3.01E-01 3.79E-01 3.77E-01 4.30E-01 4.29E-01 1.33E-01 1.40E-01 1.60E-01 1.75E-01 1.44E-01 1.76E-01 1.20E-01 1.69E-01 8.50E-02 1.00E-03 6.56E-01 5.29E-01 5.59E-01 5.98E-01 5.22E-01 2.64E-01 2.91E-01 2.53E-01 2.44E-01 2.48E-01 3.36E-01 3.39E-01 3.19E-01 3.04E-01 3.48E-01 1.47E-01 1.16E-01 1.35E-01 1.38E-01 1.34E-01 1.97E-01 1.62E-01 1.84E-01 1.65E-01 2.07E-01 1.16E-01 1.22E-01 1.06E-01 1.13E-01 9.30E-02 3.73E-01 3.81E-01 3.22E-01 3.67E-01 3.20E-01 1.57E-01 1.52E-01 1.75E-01 1.63E-01 1.54E-01 1.30E+00 1.44E+00 1.43E+00 1.27E+00 1.24E+00 1.68E+00 1.74E+00 1.76E+00 1.67E+00 1.65E+00 8.60E-02 7.70E-02 9.00E-02 7.30E-02 9.50E-02 5.20E-02 6.40E-02 5.70E-02 8.10E-02 5.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Betaine 1.62E+00 1.54E+00 1.58E+00 1.52E+00 1.52E+00 3.52E-01 3.34E-01 3.63E-01 3.98E-01 3.34E-01 8.00E-03 1.40E-02 6.00E-03 9.00E-03 1.10E-02 6.45E-01 7.55E-01 5.59E-01 6.63E-01 6.90E-01 2.00E-02 2.00E-02 3.30E-02 2.40E-02 1.50E-02 2.95E+00 3.52E+00 3.70E+00 3.91E+00 3.56E+00 1.85E+00 1.74E+00 1.66E+00 1.95E+00 1.71E+00 6.00E-03 1.30E-02 1.30E-02 1.50E-02 1.30E-02 1.94E+00 1.56E+00 1.57E+00 1.74E+00 1.64E+00 1.49E+00 1.80E+00 2.02E+00 2.09E+00 1.90E+00 5.90E-02 6.90E-02 7.30E-02 8.10E-02 6.80E-02 1.24E+00 1.33E+00 1.13E+00 1.13E+00 1.18E+00 9.59E-01 8.79E-01 9.36E-01 9.99E-01 8.89E-01 7.00E-03 2.30E-02 1.90E-02 2.00E-02 2.00E-02 5.00E-03 3.00E-03 3.00E-03 5.00E-03 5.00E-03 1.00E-03 1.10E-02 2.80E-02 1.40E-02 1.20E-02 5.00E-03 1.10E-02 1.20E-02 3.00E-03 6.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 3.00E-03 4.00E-03 2.00E-03 3.00E-03 4.00E-03 4.00E-03 4.00E-03 4.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.05E-01 1.94E-01 2.17E-01 1.90E-01 1.97E-01 2.00E-03 3.00E-03 2.00E-03 4.00E-03 2.00E-03 1.00E-03 1.00E-03 0.00E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 0.00E+00 1.00E-03 1.00E-03 Butyrate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.10E-02 2.00E-02 1.30E-02 1.30E-02 1.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Chlorogenate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.30E-02 3.60E-02 3.80E-02 4.50E-02 4.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Choline 5.03E-01 4.87E-01 5.03E-01 4.92E-01 4.69E-01 5.06E-01 4.85E-01 5.14E-01 5.63E-01 4.82E-01 5.76E-01 5.13E-01 5.60E-01 6.23E-01 5.40E-01 4.61E-01 5.03E-01 3.75E-01 4.72E-01 4.85E-01 7.54E-01 6.77E-01 7.00E-01 6.39E-01 6.88E-01 4.13E-01 4.93E-01 5.20E-01 5.46E-01 4.99E-01 5.82E-01 5.64E-01 5.37E-01 6.23E-01 5.48E-01 7.67E-01 6.17E-01 7.22E-01 6.63E-01 6.25E-01 4.31E-01 4.39E-01 4.06E-01 3.52E-01 4.64E-01 3.60E-01 4.37E-01 4.91E-01 5.10E-01 4.61E-01 4.46E-01 5.28E-01 5.68E-01 6.25E-01 5.23E-01 5.79E-01 6.04E-01 5.19E-01 5.13E-01 5.31E-01 5.49E-01 4.93E-01 5.12E-01 5.51E-01 4.84E-01 2.74E-01 2.95E-01 2.58E-01 2.55E-01 2.47E-01 4.03E-01 3.75E-01 3.85E-01 3.61E-01 3.86E-01 3.87E-01 4.06E-01 3.94E-01 3.80E-01 3.86E-01 2.19E-01 2.02E-01 2.10E-01 2.07E-01 2.48E-01 4.05E-01 4.64E-01 4.97E-01 5.54E-01 4.67E-01 3.03E-01 2.83E-01 2.64E-01 2.87E-01 2.57E-01 2.87E-01 2.92E-01 3.36E-01 3.04E-01 2.94E-01 2.88E-01 3.15E-01 3.15E-01 2.97E-01 2.78E-01 2.07E-01 2.17E-01 2.32E-01 2.06E-01 2.08E-01 2.71E-01 2.49E-01 2.87E-01 2.65E-01 2.36E-01 7.90E-02 8.20E-02 8.60E-02 9.50E-02 7.80E-02 1.70E-02 1.90E-02 2.00E-02 1.90E-02 1.70E-02 6.00E-02 6.50E-02 7.10E-02 5.80E-02 6.40E-02 DSS 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.98E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 2.00E-01 1.96E-01 1.99E-01 1.98E-01 2.01E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 1.99E-01 2.01E-01 2.01E-01 2.00E-01 1.99E-01 1.99E-01 2.00E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.05E-01 2.00E-01 2.00E-01 2.00E-01 1.98E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 1.99E-01 1.99E-01 1.99E-01 1.97E-01 1.99E-01 2.00E-01 2.01E-01 1.98E-01 1.99E-01 2.00E-01 1.99E-01 2.00E-01 1.99E-01 1.98E-01 1.98E-01 2.02E-01 1.98E-01 1.99E-01 1.98E-01 1.98E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 1.99E-01 2.01E-01 2.00E-01 2.01E-01 1.99E-01 1.98E-01 1.99E-01 2.01E-01 2.00E-01 1.98E-01 2.00E-01 1.99E-01 1.99E-01 1.99E-01 2.00E-01 2.00E-01 2.00E-01 1.98E-01 1.98E-01 1.99E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 1.99E-01 2.01E-01 1.99E-01 2.00E-01 1.99E-01 2.00E-01 1.99E-01 1.99E-01 1.98E-01 1.99E-01 2.01E-01 1.99E-01 1.99E-01 2.00E-01 1.99E-01 1.98E-01 1.99E-01 2.00E-01 1.98E-01 1.99E-01 1.98E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 2.00E-01 Ethanol 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-02 9.00E-03 1.00E-03 8.00E-03 8.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.80E-02 1.30E-02 1.30E-02 1.00E-02 3.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.30E-02 9.00E-03 1.20E-02 1.00E-02 1.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 4.00E-03 3.00E-03 9.00E-03 5.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.00E-03 9.00E-03 9.00E-03 6.00E-03 5.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-02 8.00E-03 7.00E-03 8.00E-03 8.00E-03 Ethanolamine 1.66E-01 2.58E-01 3.46E-01 2.13E-01 1.62E-01 1.65E-01 2.04E-01 1.58E-01 1.91E-01 1.53E-01 1.85E-01 1.53E-01 1.67E-01 1.79E-01 1.56E-01 1.34E-01 1.81E-01 1.12E-01 1.47E-01 1.79E-01 2.74E-01 2.38E-01 2.44E-01 2.44E-01 2.44E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.31E-01 1.63E-01 1.60E-01 1.23E-01 1.16E-01 1.94E-01 1.57E-01 1.65E-01 1.60E-01 1.42E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.90E-02 9.80E-02 1.42E-01 1.59E-01 1.07E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.39E-01 2.44E-01 1.95E-01 1.89E-01 1.55E-01 1.21E-01 2.41E-01 2.58E-01 2.85E-01 2.24E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.05E-01 1.23E-01 9.30E-02 1.04E-01 1.15E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.10E-02 6.20E-02 9.30E-02 1.03E-01 3.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.00E-03 9.00E-03 6.00E-03 8.00E-03 9.00E-03 1.00E-02 2.00E-02 2.00E-02 1.70E-02 1.70E-02 Formate 3.00E-02 3.00E-02 2.40E-02 2.40E-02 2.00E-02 7.10E-02 7.20E-02 6.70E-02 7.40E-02 6.10E-02 9.70E-02 9.20E-02 9.10E-02 1.14E-01 8.70E-02 5.80E-02 7.10E-02 6.10E-02 6.40E-02 6.50E-02 6.90E-02 5.70E-02 6.00E-02 6.00E-02 6.00E-02 2.80E-02 3.00E-02 3.50E-02 3.40E-02 3.20E-02 2.30E-02 1.80E-02 2.20E-02 2.40E-02 2.70E-02 2.50E-02 2.00E-02 2.60E-02 2.20E-02 1.90E-02 2.30E-02 1.90E-02 2.00E-02 2.40E-02 2.40E-02 2.10E-02 2.30E-02 2.50E-02 2.60E-02 2.40E-02 1.30E-02 1.50E-02 1.70E-02 1.90E-02 1.40E-02 2.10E-02 3.30E-02 1.60E-02 1.70E-02 1.80E-02 6.60E-02 5.60E-02 6.30E-02 7.10E-02 5.80E-02 3.00E-02 2.90E-02 2.70E-02 3.00E-02 2.60E-02 4.30E-02 4.70E-02 4.50E-02 4.40E-02 4.00E-02 3.40E-02 5.90E-02 4.00E-02 3.80E-02 3.40E-02 5.20E-02 4.60E-02 5.00E-02 4.80E-02 5.70E-02 2.10E-02 2.50E-02 2.70E-02 2.90E-02 2.50E-02 1.23E-01 1.20E-01 9.80E-02 1.15E-01 1.07E-01 6.20E-02 6.30E-02 8.60E-02 9.10E-02 7.10E-02 4.20E-02 4.60E-02 4.30E-02 3.80E-02 4.00E-02 3.30E-02 3.70E-02 4.00E-02 3.90E-02 3.40E-02 9.10E-02 7.60E-02 9.10E-02 9.60E-02 6.00E-02 1.90E-02 2.80E-02 1.90E-02 2.00E-02 2.10E-02 1.80E-02 2.00E-02 3.10E-02 2.40E-02 1.90E-02 2.20E-02 4.30E-02 4.50E-02 2.90E-02 2.50E-02 Fructose 3.89E+00 4.05E+00 4.00E+00 3.78E+00 3.87E+00 8.06E+00 7.73E+00 7.30E+00 8.74E+00 7.19E+00 6.62E+00 6.71E+00 7.51E+00 8.90E+00 6.62E+00 6.87E+00 8.13E+00 5.64E+00 7.83E+00 7.73E+00 7.76E+00 6.89E+00 6.63E+00 6.69E+00 6.51E+00 4.98E+00 5.51E+00 5.86E+00 6.27E+00 5.71E+00 4.78E+00 4.65E+00 3.67E+00 4.64E+00 3.68E+00 1.52E+00 1.21E+00 1.90E+00 1.36E+00 1.59E+00 1.53E+00 1.52E+00 1.47E+00 1.68E+00 1.65E+00 7.81E-01 8.31E-01 8.42E-01 1.10E+00 9.39E-01 1.80E+00 2.24E+00 2.18E+00 2.44E+00 1.96E+00 8.18E-01 9.02E-01 6.11E-01 6.95E-01 8.26E-01 2.69E+00 2.82E+00 3.62E+00 3.08E+00 2.79E+00 1.85E+00 1.47E+00 1.39E+00 1.30E+00 1.36E+00 9.28E-01 7.68E-01 1.11E+00 1.16E+00 9.63E-01 1.05E+00 1.21E+00 1.17E+00 1.01E+00 1.08E+00 6.10E-01 6.26E-01 6.27E-01 6.14E-01 6.88E-01 3.87E-01 4.20E-01 5.17E-01 4.10E-01 4.08E-01 2.02E+00 1.83E+00 1.59E+00 2.20E+00 1.60E+00 9.30E-01 1.09E+00 1.43E+00 1.13E+00 1.06E+00 3.02E-01 3.02E-01 3.28E-01 3.25E-01 4.43E-01 1.32E+00 1.41E+00 1.40E+00 1.32E+00 1.57E+00 1.40E+01 1.29E+01 1.48E+01 1.27E+01 1.09E+01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.41E-01 4.51E-01 4.73E-01 5.21E-01 4.96E-01 3.60E-01 3.08E-01 4.31E-01 2.90E-01 4.16E-01 Fumarate 5.10E-02 4.90E-02 5.00E-02 4.90E-02 4.40E-02 4.30E-02 4.10E-02 4.30E-02 4.70E-02 4.10E-02 1.88E-01 1.70E-01 1.90E-01 2.06E-01 1.82E-01 3.70E-02 4.20E-02 3.20E-02 3.80E-02 4.00E-02 9.30E-02 7.80E-02 8.00E-02 8.00E-02 8.10E-02 3.00E-02 3.60E-02 3.80E-02 4.10E-02 3.70E-02 4.20E-02 3.90E-02 3.80E-02 4.30E-02 3.80E-02 5.00E-03 4.00E-03 5.00E-03 4.00E-03 3.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 6.00E-03 7.00E-03 6.00E-03 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.00E-02 4.30E-02 3.70E-02 3.60E-02 3.80E-02 8.70E-02 8.30E-02 8.80E-02 9.60E-02 8.40E-02 1.00E-02 1.10E-02 9.00E-03 9.00E-03 8.00E-03 1.30E-02 1.20E-02 1.20E-02 1.20E-02 1.20E-02 2.00E-02 2.10E-02 2.10E-02 2.00E-02 2.00E-02 6.30E-02 5.50E-02 5.60E-02 5.30E-02 6.40E-02 1.40E-02 1.50E-02 1.70E-02 1.90E-02 1.60E-02 5.10E-02 5.00E-02 4.50E-02 5.00E-02 4.40E-02 5.80E-02 5.90E-02 7.30E-02 5.80E-02 5.80E-02 9.00E-03 1.00E-02 9.00E-03 8.00E-03 7.00E-03 1.60E-02 1.70E-02 1.70E-02 1.50E-02 1.60E-02 1.30E-02 1.20E-02 1.40E-02 1.30E-02 1.40E-02 9.00E-03 8.00E-03 9.00E-03 9.00E-03 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 1.00E-03 2.00E-03 5.00E-03 5.00E-03 Glucose 4.19E+00 4.53E+00 4.84E+00 4.43E+00 4.03E+00 8.45E+00 8.00E+00 8.40E+00 9.29E+00 7.88E+00 8.49E+00 6.05E+00 8.46E+00 9.46E+00 8.47E+00 1.03E+01 9.10E+00 5.88E+00 7.73E+00 7.69E+00 8.49E+00 6.74E+00 7.01E+00 7.40E+00 7.31E+00 5.36E+00 6.39E+00 6.78E+00 6.94E+00 6.67E+00 3.84E+00 3.49E+00 3.12E+00 3.84E+00 3.25E+00 1.44E+00 1.27E+00 1.91E+00 1.34E+00 1.36E+00 2.00E+00 1.55E+00 1.62E+00 1.47E+00 1.76E+00 4.98E-01 5.13E-01 6.14E-01 6.68E-01 6.05E-01 1.77E+00 2.01E+00 2.20E+00 2.43E+00 1.99E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.51E+00 2.32E+00 2.45E+00 2.63E+00 2.41E+00 1.85E+00 1.84E+00 1.59E+00 1.59E+00 1.62E+00 1.17E+00 1.15E+00 1.02E+00 1.04E+00 9.35E-01 8.17E-01 8.40E-01 8.22E-01 8.36E-01 8.17E-01 6.72E-01 5.73E-01 6.79E-01 6.56E-01 7.98E-01 4.61E-01 5.39E-01 5.42E-01 6.16E-01 1.00E-03 2.17E+00 1.82E+00 1.84E+00 2.03E+00 1.67E+00 9.73E-01 9.94E-01 1.13E+00 1.24E+00 9.92E-01 6.19E-01 6.51E-01 6.59E-01 6.08E-01 7.16E-01 2.00E+00 2.06E+00 2.08E+00 1.97E+00 2.04E+00 1.25E+01 1.10E+01 1.20E+01 1.09E+01 1.07E+01 5.15E-01 4.69E-01 6.85E-01 5.51E-01 5.53E-01 1.53E-01 1.56E-01 1.67E-01 1.44E-01 1.46E-01 2.12E-01 2.59E-01 2.79E-01 2.47E-01 2.73E-01 Glutamate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.16E-01 1.18E-01 8.50E-02 7.50E-02 8.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.03E-01 1.40E-02 3.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.12E-01 1.19E-01 8.90E-02 9.60E-02 1.00E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 8.50E-02 1.14E-01 9.50E-02 9.20E-02 8.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.24E-01 1.81E-01 1.46E-01 1.67E-01 1.73E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.94E-01 7.30E-02 1.53E-01 1.60E-01 1.62E-01 1.12E-01 1.55E-01 1.77E-01 1.26E-01 3.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.20E-02 2.20E-02 2.50E-02 2.30E-02 2.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Glutamine 1.25E-01 1.56E-01 2.03E-01 1.48E-01 1.44E-01 2.40E-01 2.54E-01 2.67E-01 2.58E-01 2.29E-01 2.16E-01 1.79E-01 1.94E-01 2.32E-01 1.77E-01 8.20E-02 2.30E-02 1.98E-01 8.00E-02 7.70E-02 2.54E-01 1.98E-01 2.45E-01 2.51E-01 2.52E-01 1.56E-01 1.57E-01 1.77E-01 1.70E-01 1.63E-01 3.75E-01 3.70E-01 3.45E-01 4.00E-01 3.41E-01 8.70E-02 5.30E-02 2.10E-02 7.20E-02 5.10E-02 5.10E-02 3.70E-02 5.00E-02 4.70E-02 4.50E-02 1.03E-01 1.12E-01 1.25E-01 1.21E-01 1.18E-01 1.53E-01 1.94E-01 1.87E-01 2.12E-01 1.70E-01 1.25E-01 1.10E-01 1.17E-01 1.03E-01 8.30E-02 2.10E-01 1.98E-01 1.55E-01 2.11E-01 1.44E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.40E-02 2.30E-02 2.00E-02 2.60E-02 2.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.57E-01 2.61E-01 1.79E-01 1.91E-01 2.02E-01 2.39E-01 2.86E-01 3.28E-01 3.08E-01 2.83E-01 2.00E-01 2.40E-01 2.18E-01 2.07E-01 1.79E-01 1.07E-01 1.18E-01 1.14E-01 1.16E-01 1.15E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.10E-02 8.10E-02 8.80E-02 1.17E-01 8.90E-02 1.00E-03 4.00E-03 6.00E-03 6.00E-03 8.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Guanosine 6.00E-03 6.00E-03 6.00E-03 6.00E-03 7.00E-03 1.20E-02 1.30E-02 1.30E-02 1.30E-02 1.40E-02 1.50E-02 1.50E-02 1.40E-02 1.80E-02 1.30E-02 3.00E-03 0.00E+00 9.00E-03 3.00E-03 1.00E-03 2.00E-02 1.80E-02 2.00E-02 2.10E-02 2.00E-02 1.30E-02 1.50E-02 1.60E-02 1.70E-02 1.70E-02 1.30E-02 1.30E-02 1.00E-02 1.40E-02 1.00E-02 3.00E-03 2.00E-03 2.00E-03 3.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.20E-02 4.00E-02 2.90E-02 4.20E-02 2.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 5.00E-03 5.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.30E-02 1.40E-02 1.20E-02 1.40E-02 1.50E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.40E-02 1.20E-02 1.20E-02 1.20E-02 1.50E-02 1.40E-02 1.00E-03 1.60E-02 3.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.50E-02 5.70E-02 2.00E-02 1.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Histidine 4.10E-02 3.70E-02 3.80E-02 3.60E-02 3.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.30E-02 2.90E-02 3.60E-02 3.50E-02 3.30E-02 5.00E-02 6.10E-02 4.60E-02 5.60E-02 5.60E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.21E-01 9.90E-02 1.10E-01 1.03E-01 9.70E-02 5.73E-01 4.82E-01 5.02E-01 5.55E-01 5.39E-01 2.52E-01 2.95E-01 3.22E-01 3.68E-01 3.37E-01 3.91E-01 4.72E-01 5.26E-01 6.10E-01 4.62E-01 1.00E-03 9.30E-02 9.00E-02 6.30E-02 6.40E-02 4.60E-02 4.00E-02 4.50E-02 4.80E-02 3.90E-02 9.70E-02 1.02E-01 9.30E-02 9.00E-02 1.06E-01 9.70E-02 1.10E-01 9.50E-02 1.10E-01 1.10E-01 1.47E-01 1.55E-01 1.44E-01 1.54E-01 1.50E-01 9.10E-02 7.90E-02 8.10E-02 7.70E-02 9.70E-02 1.98E-01 1.89E-01 1.70E-01 2.07E-01 1.71E-01 2.01E-01 2.21E-01 1.82E-01 1.99E-01 1.68E-01 1.41E-01 1.46E-01 1.87E-01 1.76E-01 1.74E-01 4.25E-01 4.84E-01 4.69E-01 4.49E-01 4.19E-01 4.02E-01 4.14E-01 4.29E-01 3.75E-01 3.88E-01 3.90E-02 2.80E-02 4.20E-02 3.30E-02 3.50E-02 2.40E-02 2.10E-02 2.50E-02 2.80E-02 2.70E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Inosine 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 0.00E+00 5.00E-03 7.00E-03 1.00E-03 0.00E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 4.00E-03 4.00E-03 7.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 1.00E-03 3.00E-03 1.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 3.00E-03 3.00E-03 2.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.00E-03 5.00E-03 6.00E-03 6.00E-03 5.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 8.00E-03 5.00E-03 8.00E-03 6.00E-03 5.00E-03 7.00E-03 8.00E-03 7.00E-03 8.00E-03 6.00E-03 6.00E-03 8.00E-03 9.00E-03 8.00E-03 9.00E-03 6.00E-03 7.00E-03 1.90E-02 9.00E-03 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Isocaproate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 2.00E-03 6.00E-03 1.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 5.00E-03 4.00E-03 5.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 2.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 1.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.00E-03 3.00E-03 3.00E-03 2.00E-03 6.00E-03 3.00E-03 3.00E-03 3.00E-03 4.00E-03 3.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Isoleucine 3.00E-02 2.70E-02 2.80E-02 3.40E-02 2.80E-02 3.30E-02 3.30E-02 3.40E-02 3.80E-02 2.90E-02 2.40E-02 1.90E-02 2.10E-02 2.50E-02 2.10E-02 2.70E-02 2.70E-02 1.80E-02 2.20E-02 2.40E-02 6.90E-02 6.20E-02 6.10E-02 6.30E-02 6.70E-02 1.30E-02 1.40E-02 1.60E-02 2.00E-02 1.60E-02 1.50E-02 1.30E-02 1.20E-02 1.40E-02 1.10E-02 7.00E-03 6.00E-03 7.00E-03 7.00E-03 6.00E-03 2.50E-02 2.20E-02 2.20E-02 3.40E-02 2.50E-02 6.50E-02 8.10E-02 7.50E-02 7.90E-02 7.90E-02 2.00E-02 2.70E-02 3.00E-02 3.00E-02 2.70E-02 2.60E-02 3.10E-02 2.40E-02 1.90E-02 2.20E-02 2.30E-02 2.00E-02 2.10E-02 2.30E-02 1.90E-02 1.80E-02 1.80E-02 1.50E-02 1.60E-02 1.30E-02 3.40E-02 3.70E-02 3.80E-02 3.30E-02 3.30E-02 1.80E-02 1.90E-02 1.90E-02 1.80E-02 1.60E-02 1.00E-02 9.00E-03 9.00E-03 9.00E-03 1.10E-02 1.50E-02 2.20E-02 1.90E-02 2.00E-02 1.90E-02 3.00E-02 2.80E-02 2.60E-02 2.80E-02 2.70E-02 3.00E-02 3.10E-02 3.90E-02 1.10E-02 3.50E-02 2.10E-02 2.20E-02 2.50E-02 2.00E-02 2.30E-02 3.60E-02 3.60E-02 3.80E-02 3.20E-02 3.80E-02 2.00E-02 1.90E-02 2.20E-02 1.90E-02 1.60E-02 2.00E-02 1.90E-02 2.10E-02 2.30E-02 1.80E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 1.00E-03 1.00E-03 2.00E-03 Lactate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.70E-02 1.20E-02 5.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 4.00E-03 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.50E-02 1.70E-02 2.50E-02 1.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.50E-02 1.10E-02 1.10E-02 1.00E-02 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Leucine 5.00E-02 5.20E-02 4.70E-02 4.60E-02 4.40E-02 4.50E-02 4.50E-02 4.50E-02 5.10E-02 4.00E-02 4.00E-02 3.70E-02 3.70E-02 4.20E-02 3.60E-02 3.00E-02 3.40E-02 2.50E-02 3.40E-02 3.50E-02 4.40E-02 3.70E-02 4.40E-02 4.20E-02 4.80E-02 2.30E-02 2.90E-02 3.00E-02 3.20E-02 2.80E-02 2.50E-02 2.40E-02 2.40E-02 2.80E-02 2.20E-02 1.30E-02 1.40E-02 1.40E-02 1.50E-02 1.40E-02 7.40E-02 6.00E-02 6.30E-02 6.40E-02 7.20E-02 8.60E-02 1.04E-01 1.22E-01 1.23E-01 1.12E-01 3.70E-02 4.50E-02 4.70E-02 5.10E-02 4.40E-02 6.50E-02 6.50E-02 5.70E-02 5.90E-02 6.20E-02 3.10E-02 2.80E-02 3.00E-02 3.20E-02 2.70E-02 2.40E-02 2.40E-02 2.10E-02 1.90E-02 2.30E-02 3.80E-02 3.20E-02 3.30E-02 3.10E-02 3.10E-02 2.00E-02 2.20E-02 2.00E-02 2.10E-02 2.00E-02 9.00E-03 9.00E-03 9.00E-03 8.00E-03 1.00E-02 2.10E-02 2.60E-02 2.90E-02 3.10E-02 2.40E-02 3.40E-02 3.80E-02 3.10E-02 3.70E-02 3.40E-02 4.40E-02 4.70E-02 5.60E-02 5.40E-02 5.00E-02 3.20E-02 3.60E-02 3.60E-02 3.20E-02 3.10E-02 4.20E-02 4.50E-02 4.60E-02 4.10E-02 4.40E-02 2.20E-02 2.10E-02 2.40E-02 2.00E-02 2.10E-02 2.00E-02 2.00E-02 2.40E-02 2.50E-02 1.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 2.00E-03 3.00E-03 3.00E-03 3.00E-03 Lysine 7.70E-02 4.90E-02 9.50E-02 8.90E-02 6.70E-02 1.01E-01 1.00E-01 1.02E-01 9.10E-02 8.80E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.70E-02 2.00E-02 7.70E-02 1.90E-02 1.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.60E-02 7.00E-03 2.10E-02 2.70E-02 2.00E-02 6.70E-02 4.30E-02 5.20E-02 4.80E-02 5.30E-02 1.94E-01 1.87E-01 2.08E-01 2.90E-01 1.51E-01 8.30E-02 1.03E-01 1.15E-01 1.05E-01 1.09E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.20E-02 7.20E-02 4.90E-02 3.20E-02 5.50E-02 6.90E-02 4.50E-02 1.40E-02 7.00E-03 2.60E-02 3.30E-02 3.10E-02 4.00E-02 3.40E-02 2.60E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.70E-02 6.60E-02 5.60E-02 7.90E-02 5.10E-02 6.20E-02 8.90E-02 7.10E-02 6.20E-02 7.10E-02 7.60E-02 9.30E-02 9.80E-02 1.13E-01 1.09E-01 7.10E-02 7.50E-02 7.80E-02 5.70E-02 5.40E-02 1.44E-01 1.54E-01 1.63E-01 1.43E-01 1.46E-01 3.00E-02 5.50E-02 5.00E-02 2.90E-02 6.60E-02 4.90E-02 5.70E-02 6.40E-02 7.50E-02 6.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 7.00E-03 7.00E-03 4.00E-03 2.00E-03 Methanol 7.59E-01 7.21E-01 7.51E-01 7.29E-01 6.81E-01 6.27E-01 6.08E-01 6.37E-01 6.90E-01 5.97E-01 7.23E-01 6.53E-01 7.39E-01 7.76E-01 6.85E-01 5.52E-01 5.95E-01 4.45E-01 5.67E-01 5.89E-01 1.05E+00 9.00E-01 9.16E-01 8.99E-01 9.11E-01 1.99E-01 2.36E-01 2.54E-01 2.61E-01 2.42E-01 5.47E-01 5.31E-01 5.04E-01 5.74E-01 5.00E-01 6.27E-01 5.17E-01 5.67E-01 5.30E-01 4.82E-01 9.70E-02 7.90E-02 8.20E-02 8.80E-02 8.50E-02 2.90E-02 3.40E-02 4.30E-02 1.40E-02 2.80E-02 1.08E-01 1.20E-01 1.29E-01 1.42E-01 1.20E-01 4.37E-01 4.37E-01 3.98E-01 3.90E-01 4.34E-01 4.50E-02 4.20E-02 5.50E-02 5.00E-02 5.70E-02 5.40E-02 4.20E-02 4.80E-02 4.90E-02 5.90E-02 4.90E-02 4.40E-02 4.80E-02 4.20E-02 5.00E-02 4.20E-02 4.50E-02 4.20E-02 4.10E-02 4.20E-02 1.90E-02 1.40E-02 1.70E-02 1.50E-02 1.90E-02 2.40E-02 2.90E-02 3.00E-02 6.40E-02 2.90E-02 1.19E-01 1.14E-01 1.03E-01 1.13E-01 1.01E-01 1.46E-01 1.46E-01 1.60E-01 1.47E-01 1.36E-01 6.60E-02 7.30E-02 5.00E-02 6.30E-02 5.90E-02 1.51E-01 1.64E-01 2.01E-01 1.54E-01 1.59E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.08E-01 2.14E-01 2.28E-01 2.46E-01 2.04E-01 2.00E-03 9.00E-03 1.10E-02 9.00E-03 1.00E-02 7.00E-03 4.00E-03 5.00E-03 4.00E-03 3.00E-03 Methionine 1.50E-02 2.10E-02 2.20E-02 2.20E-02 1.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.60E-02 1.40E-02 1.40E-02 1.30E-02 1.60E-02 1.50E-02 1.90E-02 4.00E-03 1.80E-02 1.40E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 3.00E-03 7.00E-03 5.00E-03 1.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.10E-02 1.10E-02 8.00E-03 1.20E-02 1.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.80E-02 1.20E-02 2.70E-02 2.10E-02 2.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 NAD+ 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 8.00E-03 4.00E-03 5.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.00E-03 7.00E-03 1.00E-03 7.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.00E-03 6.00E-03 7.00E-03 5.00E-03 7.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Nicotinamide ribotide 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.50E-02 2.10E-02 1.30E-02 2.00E-02 2.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.90E-02 6.30E-02 6.30E-02 6.90E-02 5.20E-02 7.80E-02 8.10E-02 9.50E-02 6.80E-02 7.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Phenylalanine 3.00E-02 2.40E-02 2.10E-02 2.40E-02 2.60E-02 3.30E-02 3.10E-02 2.90E-02 3.70E-02 2.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.80E-02 2.90E-02 1.70E-02 2.70E-02 3.10E-02 1.29E-01 1.21E-01 1.23E-01 1.21E-01 1.21E-01 1.30E-02 1.60E-02 1.70E-02 2.00E-02 1.80E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.90E-02 1.20E-02 1.90E-02 1.50E-02 1.50E-02 4.60E-02 3.80E-02 3.50E-02 4.00E-02 3.90E-02 5.70E-02 6.40E-02 7.50E-02 7.70E-02 7.20E-02 2.80E-02 2.70E-02 3.50E-02 4.00E-02 3.20E-02 3.30E-02 3.30E-02 2.60E-02 2.90E-02 3.20E-02 6.00E-02 4.90E-02 5.20E-02 6.10E-02 4.00E-02 2.20E-02 2.30E-02 2.20E-02 2.10E-02 2.30E-02 1.60E-02 1.70E-02 1.30E-02 1.40E-02 1.70E-02 2.20E-02 2.30E-02 2.20E-02 1.40E-02 2.10E-02 1.30E-02 1.00E-02 1.00E-02 1.10E-02 1.30E-02 1.50E-02 2.20E-02 2.40E-02 2.50E-02 2.20E-02 2.10E-02 1.90E-02 1.80E-02 1.90E-02 1.80E-02 3.10E-02 3.10E-02 3.80E-02 3.20E-02 3.20E-02 2.10E-02 2.60E-02 2.70E-02 2.30E-02 2.10E-02 3.50E-02 4.50E-02 4.70E-02 3.70E-02 4.00E-02 1.90E-02 1.80E-02 1.90E-02 2.00E-02 1.10E-02 4.30E-02 4.10E-02 4.70E-02 5.30E-02 4.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Proline 1.86E+00 1.81E+00 1.86E+00 1.69E+00 1.70E+00 9.89E-01 1.01E+00 1.01E+00 1.09E+00 9.40E-01 4.54E-01 4.09E-01 4.01E-01 4.87E-01 3.92E-01 9.84E-01 1.17E+00 8.93E-01 9.71E-01 1.02E+00 6.97E-01 5.68E-01 5.72E-01 5.88E-01 5.89E-01 1.03E+00 1.27E+00 1.29E+00 1.34E+00 1.29E+00 2.92E+00 2.90E+00 2.97E+00 3.18E+00 2.85E+00 2.33E+00 1.85E+00 1.92E+00 2.10E+00 1.90E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.35E-01 3.69E-01 4.56E-01 4.96E-01 4.56E-01 9.65E-01 1.21E+00 1.25E+00 1.35E+00 1.11E+00 2.62E-01 2.80E-01 2.44E-01 2.52E-01 2.50E-01 3.48E-01 4.08E-01 4.50E-01 4.56E-01 4.09E-01 1.10E+00 1.18E+00 1.04E+00 1.07E+00 1.07E+00 1.49E+00 1.48E+00 1.45E+00 1.42E+00 1.47E+00 1.84E+00 2.05E+00 2.03E+00 1.88E+00 1.90E+00 6.65E-01 6.46E-01 6.82E-01 6.53E-01 7.96E-01 4.53E-01 5.52E-01 5.67E-01 6.39E-01 5.64E-01 1.98E+00 2.06E+00 1.78E+00 2.03E+00 1.90E+00 1.52E+00 1.98E+00 2.24E+00 2.03E+00 2.08E+00 7.81E-01 8.93E-01 8.23E-01 7.95E-01 7.35E-01 1.37E+00 1.52E+00 1.52E+00 1.43E+00 1.44E+00 6.70E-01 6.33E-01 7.03E-01 6.11E-01 6.21E-01 2.94E-01 3.09E-01 3.34E-01 3.77E-01 3.29E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.00E-02 9.20E-02 1.08E-01 9.30E-02 1.01E-01 Putrescine 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.01E-01 1.17E-01 4.90E-02 1.09E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Quinic acid 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.12E-01 3.70E-02 3.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.28E-01 6.90E-01 4.82E-01 3.08E-01 6.47E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.05E+00 1.07E+00 1.14E+00 1.10E+00 1.07E+00 5.45E-01 5.19E-01 5.95E-01 5.15E-01 5.52E-01 Flavanol 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.10E-01 5.48E-01 5.14E-01 6.32E-01 4.54E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.25E-01 1.13E+00 1.19E+00 1.37E+00 1.14E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.36E+00 1.42E+00 1.04E+00 1.26E+00 1.48E+00 1.76E+00 1.89E+00 2.04E+00 1.85E+00 2.00E+00 9.12E-01 7.75E-01 7.83E-01 7.61E-01 9.68E-01 1.24E+00 1.63E+00 1.72E+00 1.95E+00 1.65E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.06E+00 1.28E+00 1.32E+00 1.20E+00 1.05E+00 4.27E+00 4.88E+00 4.92E+00 4.06E+00 4.45E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Shikimic acid 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.22E-01 4.18E-01 4.34E-01 3.94E-01 4.16E-01 1.47E-01 1.82E-01 1.80E-01 1.70E-01 1.59E-01 Succinate 4.70E-02 4.70E-02 4.50E-02 4.40E-02 4.20E-02 1.30E-02 1.10E-02 1.10E-02 1.30E-02 1.10E-02 3.90E-02 3.70E-02 3.90E-02 4.80E-02 4.10E-02 2.10E-02 2.40E-02 1.70E-02 2.10E-02 2.20E-02 3.80E-02 3.20E-02 3.40E-02 3.00E-02 3.50E-02 5.20E-02 6.20E-02 6.60E-02 7.00E-02 6.40E-02 3.00E-02 2.70E-02 2.50E-02 3.00E-02 2.70E-02 9.00E-03 6.00E-03 7.00E-03 7.00E-03 6.00E-03 1.40E-02 1.10E-02 1.10E-02 1.20E-02 1.30E-02 1.10E-02 1.20E-02 1.30E-02 1.50E-02 1.20E-02 7.00E-03 8.00E-03 9.00E-03 9.00E-03 8.00E-03 5.80E-02 6.20E-02 5.60E-02 5.40E-02 5.40E-02 2.90E-02 2.70E-02 3.00E-02 3.20E-02 2.80E-02 2.10E-02 2.20E-02 2.00E-02 2.00E-02 1.70E-02 2.20E-02 2.10E-02 2.10E-02 2.10E-02 2.00E-02 1.80E-02 1.90E-02 1.90E-02 1.80E-02 1.80E-02 1.10E-02 1.00E-02 1.10E-02 1.00E-02 1.30E-02 1.70E-02 2.00E-02 1.90E-02 2.40E-02 1.80E-02 2.90E-02 3.50E-02 2.60E-02 2.80E-02 2.80E-02 3.60E-02 3.40E-02 4.10E-02 3.40E-02 3.50E-02 2.10E-02 2.10E-02 2.00E-02 2.00E-02 1.80E-02 1.70E-02 1.90E-02 2.00E-02 1.80E-02 1.80E-02 9.00E-03 1.20E-02 1.30E-02 1.00E-02 5.00E-03 1.60E-02 1.80E-02 1.80E-02 2.00E-02 1.60E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 2.00E-03 3.00E-03 2.00E-03 3.00E-03 Sucrose 6.13E+00 5.73E+00 5.73E+00 5.52E+00 5.59E+00 5.00E-01 5.04E-01 8.36E-01 8.18E-01 6.63E-01 3.25E+00 2.76E+00 2.66E+00 2.96E+00 2.88E+00 5.82E-01 7.31E-01 1.36E+00 1.06E+00 6.80E-01 1.22E+00 1.60E+00 1.67E+00 1.31E+00 1.37E+00 3.54E-01 4.25E-01 4.25E-01 4.98E-01 3.44E-01 1.27E+00 2.02E+00 1.90E+00 2.18E+00 1.94E+00 5.60E+00 4.58E+00 4.52E+00 4.59E+00 4.46E+00 2.10E+00 1.78E+00 1.78E+00 1.94E+00 1.78E+00 6.94E-01 7.64E-01 8.89E-01 9.68E-01 8.58E-01 5.40E-02 6.00E-02 6.40E-02 7.80E-02 5.80E-02 9.27E+00 9.64E+00 8.15E+00 8.37E+00 8.86E+00 9.60E+00 8.87E+00 9.40E+00 1.00E+01 8.78E+00 6.72E+00 7.45E+00 6.13E+00 6.43E+00 6.84E+00 7.17E+00 6.47E+00 6.57E+00 5.27E+00 6.71E+00 5.98E+00 6.41E+00 6.24E+00 6.06E+00 6.14E+00 5.33E+00 4.75E+00 5.25E+00 5.05E+00 6.20E+00 4.22E+00 4.87E+00 5.15E+00 5.65E+00 4.84E+00 4.70E+00 5.02E+00 4.11E+00 4.95E+00 4.20E+00 4.52E+00 4.35E+00 5.22E+00 4.63E+00 4.46E+00 5.59E+00 5.75E+00 5.38E+00 5.21E+00 4.83E+00 4.76E+00 5.17E+00 5.25E+00 4.76E+00 4.84E+00 3.53E+00 3.53E+00 3.62E+00 3.39E+00 3.70E+00 5.63E+00 5.40E+00 6.18E+00 6.64E+00 5.71E+00 3.50E-01 4.07E-01 4.50E-01 4.28E-01 3.78E-01 9.76E-01 9.94E-01 1.20E+00 1.00E+00 1.01E+00 Threonine 6.10E-02 5.60E-02 5.70E-02 5.60E-02 5.10E-02 7.70E-02 7.30E-02 6.90E-02 8.30E-02 6.80E-02 5.60E-02 5.30E-02 5.40E-02 6.80E-02 5.20E-02 3.40E-02 6.00E-02 1.00E-03 6.20E-02 6.80E-02 9.40E-02 8.40E-02 8.60E-02 8.10E-02 8.50E-02 3.00E-02 3.60E-02 3.50E-02 4.20E-02 3.80E-02 4.10E-02 3.60E-02 4.00E-02 4.20E-02 3.90E-02 6.50E-02 5.50E-02 5.80E-02 5.90E-02 5.70E-02 4.40E-02 3.60E-02 3.80E-02 4.50E-02 4.70E-02 5.10E-02 5.90E-02 6.40E-02 7.50E-02 6.40E-02 3.90E-02 4.60E-02 4.80E-02 5.30E-02 4.60E-02 1.00E-01 1.18E-01 8.70E-02 9.90E-02 9.40E-02 1.03E-01 9.10E-02 1.00E-01 1.13E-01 1.20E-01 2.90E-02 3.10E-02 2.80E-02 2.60E-02 3.00E-02 4.70E-02 4.50E-02 4.20E-02 3.80E-02 4.20E-02 3.70E-02 6.40E-02 3.80E-02 4.20E-02 4.10E-02 2.80E-02 2.50E-02 2.70E-02 2.60E-02 2.10E-02 3.30E-02 3.90E-02 4.10E-02 4.50E-02 3.80E-02 5.20E-02 5.30E-02 4.70E-02 5.00E-02 3.70E-02 4.20E-02 6.60E-02 8.10E-02 7.70E-02 6.80E-02 9.30E-02 1.10E-01 1.00E-01 9.30E-02 9.00E-02 1.10E-01 1.16E-01 1.21E-01 1.16E-01 1.10E-01 3.90E-02 3.10E-02 3.30E-02 5.00E-02 2.50E-02 3.50E-02 3.90E-02 3.50E-02 4.00E-02 3.40E-02 5.00E-03 6.00E-03 2.40E-02 1.60E-02 4.00E-03 1.60E-02 3.20E-02 2.60E-02 1.70E-02 1.60E-02 Trigonelline 4.30E-02 3.50E-02 3.60E-02 3.50E-02 3.30E-02 7.70E-02 7.30E-02 7.50E-02 8.90E-02 6.90E-02 4.70E-02 4.30E-02 4.80E-02 5.20E-02 4.70E-02 1.15E-01 1.41E-01 9.40E-02 1.35E-01 1.36E-01 2.00E-02 1.70E-02 2.00E-02 2.00E-02 1.70E-02 1.40E-02 1.60E-02 1.70E-02 2.00E-02 1.60E-02 2.40E-02 2.30E-02 2.10E-02 2.40E-02 2.00E-02 3.00E-02 2.60E-02 2.60E-02 2.90E-02 2.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.80E-02 8.30E-02 7.30E-02 7.20E-02 7.50E-02 7.80E-02 7.00E-02 7.40E-02 8.20E-02 6.40E-02 5.60E-02 6.30E-02 5.00E-02 5.30E-02 5.40E-02 2.30E-02 2.40E-02 2.10E-02 2.10E-02 2.10E-02 3.50E-02 3.70E-02 3.70E-02 3.40E-02 3.20E-02 1.40E-02 1.10E-02 1.20E-02 1.30E-02 1.30E-02 1.90E-02 2.20E-02 2.60E-02 2.60E-02 2.30E-02 4.30E-02 3.80E-02 3.40E-02 3.70E-02 3.50E-02 3.20E-02 3.30E-02 4.30E-02 3.90E-02 3.70E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-02 2.60E-02 3.10E-02 2.50E-02 2.20E-02 2.50E-02 2.50E-02 2.50E-02 2.60E-02 2.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Tryptophan 1.40E-02 1.20E-02 1.20E-02 1.30E-02 1.50E-02 8.00E-03 1.00E-02 1.40E-02 1.40E-02 1.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-02 1.00E-02 1.20E-02 8.00E-03 9.00E-03 1.60E-02 1.60E-02 1.50E-02 1.50E-02 1.40E-02 7.00E-03 7.00E-03 7.00E-03 1.70E-02 7.00E-03 1.80E-02 1.30E-02 1.90E-02 1.80E-02 1.50E-02 1.00E-03 1.00E-03 3.00E-03 4.00E-03 4.00E-03 1.20E-02 1.00E-02 1.10E-02 1.30E-02 1.00E-02 3.80E-02 4.20E-02 5.10E-02 5.50E-02 4.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.40E-02 2.70E-02 2.40E-02 2.40E-02 2.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.20E-02 4.20E-02 3.00E-02 3.50E-02 3.90E-02 1.90E-02 2.00E-02 1.40E-02 2.00E-02 1.40E-02 1.40E-02 2.30E-02 1.40E-02 1.20E-02 1.50E-02 1.80E-02 1.60E-02 1.70E-02 1.50E-02 1.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.20E-02 1.80E-02 1.60E-02 2.40E-02 2.20E-02 4.40E-02 4.60E-02 5.60E-02 4.80E-02 4.60E-02 3.60E-02 4.20E-02 4.30E-02 3.50E-02 3.60E-02 2.60E-02 2.20E-02 2.40E-02 2.30E-02 2.90E-02 6.20E-02 6.20E-02 6.70E-02 6.30E-02 4.80E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 8.00E-03 1.10E-02 9.00E-03 9.00E-03 9.00E-03 Tyrosine 5.00E-02 6.40E-02 6.40E-02 6.20E-02 6.00E-02 5.40E-02 5.30E-02 5.20E-02 6.00E-02 5.00E-02 5.00E-02 4.60E-02 4.80E-02 5.50E-02 4.40E-02 4.80E-02 5.50E-02 3.10E-02 6.20E-02 5.40E-02 3.76E-01 3.00E-01 2.82E-01 3.36E-01 3.02E-01 2.30E-02 2.50E-02 2.90E-02 3.10E-02 2.40E-02 3.30E-02 3.00E-02 2.90E-02 3.40E-02 4.00E-02 1.10E-02 8.00E-03 1.60E-02 1.30E-02 8.00E-03 4.60E-02 4.40E-02 4.20E-02 3.30E-02 5.00E-02 5.70E-02 7.20E-02 7.80E-02 8.40E-02 7.40E-02 2.50E-02 4.00E-02 3.90E-02 4.30E-02 3.30E-02 5.90E-02 6.70E-02 5.00E-02 5.40E-02 5.50E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.70E-02 2.10E-02 2.10E-02 2.20E-02 2.00E-02 1.90E-02 1.90E-02 1.90E-02 1.80E-02 1.80E-02 3.80E-02 4.50E-02 4.20E-02 3.50E-02 4.00E-02 2.40E-02 1.80E-02 2.00E-02 1.60E-02 1.90E-02 2.00E-02 2.30E-02 2.30E-02 2.40E-02 2.40E-02 2.60E-02 3.70E-02 3.10E-02 3.00E-02 2.80E-02 5.20E-02 5.00E-02 5.90E-02 5.30E-02 5.00E-02 3.50E-02 4.70E-02 3.40E-02 3.40E-02 3.10E-02 7.40E-02 7.90E-02 8.50E-02 7.20E-02 7.80E-02 2.50E-02 2.10E-02 2.20E-02 2.10E-02 1.80E-02 5.60E-02 6.00E-02 8.30E-02 7.50E-02 6.50E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.50E-02 1.60E-02 1.80E-02 1.70E-02 1.80E-02 UMP 2.10E-02 2.00E-02 1.80E-02 2.00E-02 2.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.20E-02 2.00E-02 1.80E-02 2.20E-02 1.80E-02 1.00E-02 1.20E-02 1.10E-02 1.10E-02 1.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-02 1.10E-02 1.00E-02 1.10E-02 6.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.90E-02 3.20E-02 2.80E-02 3.20E-02 3.00E-02 6.00E-03 4.00E-03 7.00E-03 8.00E-03 5.00E-03 9.00E-03 1.10E-02 1.20E-02 1.00E-02 1.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.60E-02 1.90E-02 1.40E-02 1.80E-02 1.60E-02 1.60E-02 1.40E-02 2.20E-02 1.70E-02 1.70E-02 1.60E-02 1.80E-02 1.60E-02 1.70E-02 1.60E-02 2.40E-02 2.80E-02 2.70E-02 2.60E-02 2.70E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Uracil 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.50E-02 1.30E-02 1.40E-02 1.60E-02 1.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.00E-03 5.00E-03 4.00E-03 7.00E-03 8.00E-03 8.00E-03 1.10E-02 1.20E-02 1.00E-02 1.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 1.00E-03 6.00E-03 4.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.10E-02 2.70E-02 3.20E-02 4.50E-02 3.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.20E-02 3.00E-02 2.90E-02 2.60E-02 3.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-03 5.00E-03 7.00E-03 7.00E-03 4.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.40E-02 1.00E-02 1.70E-02 1.30E-02 1.30E-02 1.00E-02 7.00E-03 1.50E-02 1.30E-02 1.50E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Uridine 3.40E-02 2.40E-02 2.50E-02 2.40E-02 2.60E-02 3.30E-02 3.30E-02 2.60E-02 2.80E-02 3.20E-02 3.70E-02 3.00E-02 3.80E-02 3.60E-02 3.50E-02 2.50E-02 3.10E-02 1.30E-02 2.90E-02 2.80E-02 4.80E-02 4.50E-02 4.30E-02 3.70E-02 4.00E-02 3.40E-02 3.30E-02 3.60E-02 3.90E-02 3.70E-02 4.70E-02 5.10E-02 4.90E-02 4.90E-02 4.60E-02 4.50E-02 4.30E-02 4.80E-02 3.80E-02 4.40E-02 2.70E-02 2.50E-02 2.60E-02 2.70E-02 2.60E-02 1.80E-02 1.90E-02 2.30E-02 2.50E-02 2.10E-02 1.50E-02 1.60E-02 1.90E-02 2.50E-02 2.10E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.00E-02 5.80E-02 4.50E-02 5.60E-02 4.80E-02 6.40E-02 7.20E-02 6.50E-02 6.20E-02 7.90E-02 4.10E-02 3.50E-02 3.80E-02 3.30E-02 3.30E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.20E-02 2.20E-02 2.20E-02 2.10E-02 2.70E-02 4.80E-02 5.50E-02 5.90E-02 6.90E-02 5.60E-02 5.30E-02 4.40E-02 4.20E-02 4.60E-02 4.10E-02 5.90E-02 5.80E-02 6.10E-02 6.40E-02 6.30E-02 2.80E-02 2.70E-02 2.70E-02 2.30E-02 2.30E-02 4.60E-02 5.50E-02 5.20E-02 4.70E-02 5.40E-02 7.80E-02 5.30E-02 6.60E-02 6.20E-02 5.30E-02 2.20E-02 2.20E-02 2.50E-02 2.40E-02 2.20E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 3.00E-03 3.00E-03 3.00E-03 3.00E-03 3.00E-03 Valerate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.31E-01 1.16E-01 9.40E-02 1.04E-01 1.24E-01 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-02 3.70E-02 4.20E-02 4.80E-02 3.60E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 Valine 5.80E-02 5.50E-02 5.20E-02 5.40E-02 5.20E-02 6.50E-02 6.40E-02 6.50E-02 7.20E-02 6.00E-02 5.20E-02 4.70E-02 4.70E-02 5.90E-02 4.80E-02 4.30E-02 4.70E-02 3.20E-02 4.10E-02 4.50E-02 1.16E-01 9.90E-02 1.07E-01 1.01E-01 1.06E-01 3.00E-02 3.60E-02 4.00E-02 4.30E-02 3.60E-02 3.70E-02 3.50E-02 3.40E-02 4.00E-02 3.40E-02 2.60E-02 2.10E-02 2.50E-02 2.40E-02 1.80E-02 3.90E-02 3.20E-02 3.20E-02 3.60E-02 3.50E-02 9.50E-02 1.15E-01 1.27E-01 1.29E-01 1.18E-01 5.10E-02 6.40E-02 6.50E-02 7.40E-02 6.10E-02 7.20E-02 7.80E-02 6.80E-02 6.60E-02 7.20E-02 5.10E-02 4.60E-02 4.90E-02 5.40E-02 4.80E-02 3.40E-02 3.50E-02 3.40E-02 2.90E-02 3.20E-02 5.70E-02 5.50E-02 5.40E-02 5.10E-02 5.30E-02 4.40E-02 4.70E-02 4.50E-02 4.40E-02 4.50E-02 1.80E-02 1.60E-02 1.60E-02 1.60E-02 1.90E-02 3.10E-02 3.50E-02 3.90E-02 4.30E-02 3.60E-02 8.10E-02 7.30E-02 6.10E-02 7.00E-02 6.20E-02 9.70E-02 1.05E-01 1.20E-01 1.04E-01 1.03E-01 6.80E-02 7.60E-02 7.70E-02 7.00E-02 6.50E-02 6.40E-02 7.10E-02 7.20E-02 6.70E-02 5.30E-02 3.90E-02 3.50E-02 4.10E-02 3.60E-02 3.60E-02 2.70E-02 2.80E-02 3.10E-02 3.40E-02 2.50E-02 2.00E-03 2.00E-03 2.00E-03 2.00E-03 2.00E-03 3.00E-03 3.00E-03 3.00E-03 4.00E-03 4.00E-03 cis-Aconitate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 9.10E-02 8.60E-02 8.70E-02 9.40E-02 9.60E-02 2.20E-02 1.70E-02 2.10E-02 2.10E-02 2.00E-02 1.60E-02 6.20E-02 2.00E-02 5.50E-02 5.60E-02 7.30E-02 5.90E-02 6.40E-02 6.20E-02 5.30E-02 6.30E-02 6.30E-02 8.10E-02 6.80E-02 7.50E-02 2.20E-02 2.00E-02 2.10E-02 2.30E-02 2.20E-02 7.00E-03 7.00E-03 7.00E-03 9.00E-03 6.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 myo-Inositol 3.06E+00 2.74E+00 2.90E+00 2.90E+00 2.70E+00 3.34E+00 3.07E+00 2.96E+00 3.48E+00 2.70E+00 4.11E+00 3.15E+00 3.61E+00 4.23E+00 3.58E+00 2.76E+00 3.22E+00 2.28E+00 2.84E+00 3.34E+00 4.44E+00 4.10E+00 4.04E+00 5.03E+00 4.06E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.83E+00 1.75E+00 1.64E+00 1.94E+00 1.73E+00 3.10E+00 2.66E+00 2.71E+00 2.43E+00 2.38E+00 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 5.90E-02 5.80E-02 7.20E-02 6.40E-02 3.90E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.70E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 7.20E-02 5.70E-02 6.20E-02 6.70E-02 6.00E-02 trans-Aconitate 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 2.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 6.10E-02 5.90E-02 5.20E-02 6.30E-02 5.40E-02 2.00E-02 1.30E-02 1.20E-02 2.00E-02 1.00E-02 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 1.00E-03 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet name Formula Mass 4-Aminobutyrate AMP AMP C10H14N5O7P 347.063088 Adenine Adenine C5H5N5 135.054495 Adenosine Adenosine C10H13N5O4 267.096755 Alanine Alanine C3H7NO2 89.047679 Arginine Arginine C6H14N4O2 174.111676 Asparagine Asparagine C4H8N2O3 132.053493 Betaine Betaine C5H11NO2 117.078979 Butyrate Butyric acid C4H8O2 88.052430 Chlorogenate Chlorogenic acid C16H18O9 354.095085 Choline Choline C5H14NO 104.107539 DSS Ethanol Ethanol C2H6O 46.041865 Ethanolamine Ethanolamine C2H7NO 61.052764 Formate Formic acid CH2O2 46.005480 Fructose Fructose C6H12O6 180.063390 Fumarate Fumaric acid C4H4O4 116.010960 Glucose Glucose C6H12O6 180.063390 Glutamate Glutamic acid C5H9NO4 147.053159 Glutamine Glutamine C5H10N2O3 146.069143 Guanosine Guanosine C10H13N5O5 283.091670 Histidine Histidine C6H9N3O2 155.069477 Inosine Inosine C10H12N4O5 268.080771 Isocaproate Isocaproic acid C6H12O2 116.083730 Isoleucine Isoleucine C6H13NO2 131.094629 Lactate Lactic acid C3H6O3 90.031695 Leucine Leucine C6H13NO2 131.094629 Lysine Lysine C6H14N2O2 146.105528 Methanol Methanol CH4O 32.026215 Methionine Methionine C5H11NO2S 149.051051 NAD+ NAD+ C21H28N7O14P2 664.116954 Nicotinamide ribotide Nicotinamide ribotide C11H15N2O8P 334.056606 Phenylalanine Phenylalanine C9H11NO2 165.078979 Proline Proline C5H9NO2 115.063329 Putrescine Putrescine C4H12N2 88.100048 Quinic acid Quinic acid C7H12O6 192.063390 Flavanol Shikimic acid Shikimic acid C7H10O5 174.052825 Succinate Succinic acid C4H6O4 118.026610 Sucrose Sucrose C12H22O11 342.116215 Threonine Threonine C4H9NO3 119.058244 Trigonelline Trigonelline C7H7NO2 137.047679 Tryptophan Tryptophan C11H12N2O2 204.089878 Tyrosine Tyrosine C9H11NO3 181.073894 UMP UMP C9H13N2O9P 324.035871 Uracil Uracil C4H4N2O2 112.027278 Uridine Uridine C9H12N2O6 244.069538 Valerate Valeric acid C5H10O2 102.068080 Valine Valine C5H11NO2 117.078979 cis-Aconitate Cis-Aconitic acid C6H6O6 174.016440 myo-Inositol Myo-inositol C6H12O6 180.063390 trans-Aconitate Trans-Aconitic acid C6H6O6 174.016440 METABOLITES_END #END