#METABOLOMICS WORKBENCH bcdefelice_20230824_084726 DATATRACK_ID:4245 STUDY_ID:ST002832 ANALYSIS_ID:AN004625 PROJECT_ID:PR001774 VERSION 1 CREATED_ON August 28, 2023, 2:26 pm #PROJECT PR:PROJECT_TITLE Resource competition predicts assembly of in vitro gut bacterial communities PR:PROJECT_SUMMARY Microbiota dynamics arise from a plethora of interspecies interactions, PR:PROJECT_SUMMARY including resource competition, cross-feeding, and pH modulation. The individual PR:PROJECT_SUMMARY contributions of these mechanisms are challenging to untangle, especially in PR:PROJECT_SUMMARY natural or complex laboratory environments where the landscape of resource PR:PROJECT_SUMMARY competition is unclear. Here, we developed a framework to estimate the extent of PR:PROJECT_SUMMARY multi-species niche overlaps by combining metabolomics data of individual PR:PROJECT_SUMMARY species, growth measurements in pairwise spent media, and mathematical models. PR:PROJECT_SUMMARY When applied to an in vitro model system of human gut commensals in complex PR:PROJECT_SUMMARY media, our framework revealed that a simple model of resource competition PR:PROJECT_SUMMARY described most pairwise interactions. By grouping metabolomic features depleted PR:PROJECT_SUMMARY by the same set of species, we constructed a coarse-grained consumer-resource PR:PROJECT_SUMMARY model that predicted assembly compositions to reasonable accuracy. Moreover, PR:PROJECT_SUMMARY deviations from model predictions enabled us to identify and incorporate into PR:PROJECT_SUMMARY the model additional interactions, including pH-mediated effects and PR:PROJECT_SUMMARY cross-feeding, which improved model performance. In sum, our work provides an PR:PROJECT_SUMMARY experimental and theoretical framework to dissect microbial interactions in PR:PROJECT_SUMMARY complex in vitro environments. PR:INSTITUTE Stanford University PR:LAST_NAME DeFelice PR:FIRST_NAME Brian PR:ADDRESS 1291 Welch Rd., Rm. G0821 (SIM1), Stanford CA, California, 94305, USA PR:EMAIL bcdefelice@ucdavis.edu PR:PHONE 5303564485 #STUDY ST:STUDY_TITLE Resource competition predicts assembly of in vitro gut bacterial communities- ST:STUDY_TITLE HILIC ST:STUDY_SUMMARY Microbiota dynamics arise from a plethora of interspecies interactions, ST:STUDY_SUMMARY including resource competition, cross-feeding, and pH modulation. The individual ST:STUDY_SUMMARY contributions of these mechanisms are challenging to untangle, especially in ST:STUDY_SUMMARY natural or complex laboratory environments where the landscape of resource ST:STUDY_SUMMARY competition is unclear. Here, we developed a framework to estimate the extent of ST:STUDY_SUMMARY multi-species niche overlaps by combining metabolomics data of individual ST:STUDY_SUMMARY species, growth measurements in pairwise spent media, and mathematical models. ST:STUDY_SUMMARY When applied to an in vitro model system of human gut commensals in complex ST:STUDY_SUMMARY media, our framework revealed that a simple model of resource competition ST:STUDY_SUMMARY described most pairwise interactions. By grouping metabolomic features depleted ST:STUDY_SUMMARY by the same set of species, we constructed a coarse-grained consumer-resource ST:STUDY_SUMMARY model that predicted assembly compositions to reasonable accuracy. Moreover, ST:STUDY_SUMMARY deviations from model predictions enabled us to identify and incorporate into ST:STUDY_SUMMARY the model additional interactions, including pH-mediated effects and ST:STUDY_SUMMARY cross-feeding, which improved model performance. In sum, our work provides an ST:STUDY_SUMMARY experimental and theoretical framework to dissect microbial interactions in ST:STUDY_SUMMARY complex in vitro environments. ST:INSTITUTE Stanford University ST:LAST_NAME DeFelice ST:FIRST_NAME Brian ST:ADDRESS 1291 Welch Rd. ST:EMAIL bcdefelice@ucdavis.edu ST:PHONE 5303564485 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Bacteroides thetaiotaomicron SU:TAXONOMY_ID 8188 SU:SUBJECT_COMMENTS Fecal derived communities and isolates, supernatant was assayed #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0001 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0001.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0002 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0002.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0003 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0003.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0004 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0004.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0005 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0005.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0006 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0006.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0007 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0007.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0008 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0008.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0009 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0009.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0010 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0010.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0011 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0011.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0012 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0012.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0013 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0013.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0014 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0014.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0015 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0015.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0016 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0016.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0017 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0017.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0018 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0018.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0019 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0019.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0020 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0020.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0021 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0021.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0022 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0022.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0023 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0023.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0024 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0024.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0025 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0025.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0026 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0026.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0027 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0027.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0028 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0028.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0029 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0029.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0030 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0030.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0031 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0031.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0032 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0032.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0033 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0033.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0034 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0034.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0035 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0035.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0036 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0036.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0037 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0037.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0038 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0038.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0039 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0039.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0040 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0040.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0041 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0041.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0042 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0042.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0043 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0043.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0044 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0044.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0045 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0045.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0046 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0046.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0047 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0047.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0048 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0048.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0049 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0049.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0050 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0050.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0051 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0051.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0052 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0052.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0053 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0053.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0054 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0054.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0055 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0055.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0056 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0056.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0057 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0057.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0058 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0058.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0059 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0059.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0060 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0060.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0061 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0061.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0062 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0062.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0063 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0063.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0064 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0064.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0065 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0065.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0066 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0066.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0067 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0067.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0068 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0068.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0069 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0069.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0070 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0070.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0071 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0071.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0072 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0072.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0073 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0073.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0074 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0074.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0075 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0075.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0076 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0076.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0077 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0077.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_1_MSA0078 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Neg_1_MSA0078.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0001 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0001.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0002 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0002.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0004 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0004.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0005 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0005.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0006 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0006.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0008 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0008.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0009 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0009.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0012 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0012.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0013 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0013.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0014 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0014.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0016 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0016.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0019 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0019.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0020 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0020.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0022 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0022.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0023 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0023.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0028 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0028.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0029 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0029.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0037 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0037.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0038 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0038.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0040 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0040.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0041 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0041.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0044 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0044.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0045 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0045.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0046 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0046.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0048 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0048.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0050 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0050.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Neg_2_MSA0051 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Neg_2_MSA0051.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0001 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0001.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0002 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0002.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0003 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0003.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0004 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0004.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0005 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0005.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0006 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0006.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0007 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0007.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0008 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0008.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0009 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0009.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0010 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0010.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0011 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0011.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0012 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0012.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0013 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0013.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0014 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0014.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0015 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0015.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0016 Genotype:bacterial community | Treatment:15-member community timepoint 5 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0016.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0017 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0017.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0018 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0018.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0019 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0019.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0020 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0020.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0021 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0021.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0022 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0022.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0023 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0023.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0024 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0024.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0025 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0025.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0026 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0026.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0027 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0027.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0028 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0028.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0029 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0029.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0030 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0030.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0031 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0031.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0032 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0032.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0033 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0033.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0034 Genotype:bacterial community | Treatment:15-member community timepoint 19 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0034.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0035 Genotype:bacterial community | Treatment:15-member community timepoint 10 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0035.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0036 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0036.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0037 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0037.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0038 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0038.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0039 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0039.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0040 Genotype:bacterial community | Treatment:15-member community timepoint 2 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0040.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0041 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0041.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0042 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0042.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0043 Genotype:bacterial community | Treatment:15-member community timepoint 9 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0043.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0044 Genotype:bacterial community | Treatment:15-member community timepoint 13 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0044.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0045 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0045.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0046 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0046.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0047 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0047.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0048 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0048.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0049 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0049.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0050 Genotype:bacterial community | Treatment:15-member community timepoint 16 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0050.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0051 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0051.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0052 Genotype:bacterial community | Treatment:15-member community timepoint 18 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0052.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0053 Genotype:bacterial community | Treatment:15-member community timepoint 1 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0053.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0054 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0054.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0055 Genotype:bacterial community | Treatment:15-member community timepoint 11 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0055.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0056 Genotype:bacterial community | Treatment:15-member community timepoint 14 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0056.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0057 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0057.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0058 Genotype:bacterial community | Treatment:15-member community timepoint 21 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0058.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0059 Genotype:bacterial community | Treatment:15-member community timepoint 22 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0059.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0060 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0060.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0061 Genotype:bacterial community | Treatment:15-member community timepoint 4 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0061.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0062 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0062.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0063 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0063.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0064 Genotype:bacterial community | Treatment:15-member community timepoint 15 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0064.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0065 Genotype:bacterial community | Treatment:15-member community timepoint 3 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0065.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0066 Genotype:bacterial community | Treatment:15-member community timepoint 8 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0066.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0067 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0067.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0068 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0068.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0069 Genotype:bacterial community | Treatment:15-member community timepoint 20 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0069.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0070 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0070.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0071 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0071.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0072 Genotype:bacterial community | Treatment:15-member community timepoint 23 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0072.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0073 Genotype:bacterial community | Treatment:15-member community timepoint 7 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0073.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0074 Genotype:bacterial community | Treatment:15-member community timepoint 12 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0074.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0075 Genotype:bacterial community | Treatment:15-member community timepoint 6 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0075.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0076 Genotype:bacterial community | Treatment:BHI-heme RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0076.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0077 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0077.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_1_MSA0078 Genotype:bacterial community | Treatment:15-member community timepoint 17 RAW_FILE_NAME=M00179_20220322_Pos_1_MSA0078.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0001 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0001.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0002 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0002.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0004 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0004.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0005 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0005.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0006 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0006.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0008 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0008.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0009 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0009.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0012 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0012.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0013 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0013.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0014 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0014.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0016 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0016.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0019 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0019.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0020 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0020.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0022 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0022.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0023 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0023.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0028 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0028.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0029 Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0029.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0037 Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0037.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0038 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0038.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0040 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0040.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0041 Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0041.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0044 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0044.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0045 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0045.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0046 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0046.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0048 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0048.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0050 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0050.raw SUBJECT_SAMPLE_FACTORS - M00179_20220322_Pos_2_MSA0051 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment RAW_FILE_NAME=M00179_20220322_Pos_2_MSA0051.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0001 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0001.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0002 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0002.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0003 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0003.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0005 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0005.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0006 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0006.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0008 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0008.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0010 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0010.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0011 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0011.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0012 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0012.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0013 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0013.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0014 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0014.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0015 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0015.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0016 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0016.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0017 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0017.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0018 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0018.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0020 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0020.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0021 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0021.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0023 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0023.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0024 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0024.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0025 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0025.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0029 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0029.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0030 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0030.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0031 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0031.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0032 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0032.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0033 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0033.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0034 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0034.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0035 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0035.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0036 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0036.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0037 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0037.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0038 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0038.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0040 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0040.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0043 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0043.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0045 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0045.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0046 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0046.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0047 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0047.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0048 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0048.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0051 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0051.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0052 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0052.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0053 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0053.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0054 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0054.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0055 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0055.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0056 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0056.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0057 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0057.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0058 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0058.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0060 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0060.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0061 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0061.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0062 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0062.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Neg_1_MSA0063 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Neg_1_MSA0063.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0001 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0001.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0002 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0002.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0003 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0003.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0005 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0005.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0006 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0006.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0008 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0008.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0010 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0010.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0011 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0011.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0012 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0012.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0013 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0013.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0014 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0014.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0015 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0015.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0016 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0016.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0017 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0017.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0018 Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0018.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0020 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0020.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0021 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0021.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0023 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0023.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0024 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0024.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0025 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0025.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0029 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0029.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0030 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0030.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0031 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0031.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0032 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0032.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0033 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0033.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0034 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0034.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0035 Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0035.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0036 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0036.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0037 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0037.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0038 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0038.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0040 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0040.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0043 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0043.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0045 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0045.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0046 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0046.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0047 Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0047.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0048 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0048.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0051 Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0051.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0052 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0052.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0053 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0053.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0054 Genotype:bacterial community | Treatment:mGAM fresh RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0054.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0055 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0055.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0056 Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0056.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0057 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0057.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0058 Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0058.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0060 Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0060.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0061 Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0061.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0062 Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0062.raw SUBJECT_SAMPLE_FACTORS - metaboproj_165H_20220125_Pos_1_MSA0063 Genotype:bacterial community | Treatment:mGAM spent by Blautia producta RAW_FILE_NAME=metaboproj_165H_20220125_Pos_1_MSA0063.raw SUBJECT_SAMPLE_FACTORS - Pos_1' Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Pos_1'.raw SUBJECT_SAMPLE_FACTORS - Pos_1'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Pos_1'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_1'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Pos_1'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_2' Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Pos_2'.raw SUBJECT_SAMPLE_FACTORS - Pos_2'_r1 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Pos_2'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_2'_r2 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Pos_2'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_3' Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Pos_3'.raw SUBJECT_SAMPLE_FACTORS - Pos_3'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Pos_3'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_3'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Pos_3'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_4' Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Pos_4'.raw SUBJECT_SAMPLE_FACTORS - Pos_4'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Pos_4'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_4'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Pos_4'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_5' Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Pos_5'.raw SUBJECT_SAMPLE_FACTORS - Pos_5'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Pos_5'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_5'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Pos_5'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_6' Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Pos_6'.raw SUBJECT_SAMPLE_FACTORS - Pos_6'_r1 Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Pos_6'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_6'_r2 Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Pos_6'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_7' Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Pos_7'.raw SUBJECT_SAMPLE_FACTORS - Pos_7'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Pos_7'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_7'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Pos_7'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_8' Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Pos_8'.raw SUBJECT_SAMPLE_FACTORS - Pos_8'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Pos_8'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_8'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Pos_8'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_9' Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Pos_9'.raw SUBJECT_SAMPLE_FACTORS - Pos_9'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Pos_9'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_9'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Pos_9'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_10' Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Pos_10'.raw SUBJECT_SAMPLE_FACTORS - Pos_10'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Pos_10'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_10'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Pos_10'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_11' Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Pos_11'.raw SUBJECT_SAMPLE_FACTORS - Pos_11'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Pos_11'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_11'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Pos_11'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_12' Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Pos_12'.raw SUBJECT_SAMPLE_FACTORS - Pos_12'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Pos_12'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_12'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Pos_12'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_13' Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Pos_13'.raw SUBJECT_SAMPLE_FACTORS - Pos_13'_r1 Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Pos_13'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_13'_r2 Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Pos_13'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_14' Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Pos_14'.raw SUBJECT_SAMPLE_FACTORS - Pos_14'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Pos_14'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_14'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Pos_14'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_15' Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Pos_15'.raw SUBJECT_SAMPLE_FACTORS - Pos_15'_r1 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Pos_15'_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_15'_r2 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Pos_15'_r2.raw SUBJECT_SAMPLE_FACTORS - Pos_BHICONTROL(labeled16') Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Pos_BHICONTROL(labeled16').raw SUBJECT_SAMPLE_FACTORS - Pos_BHICONTROL(labeled16')_r1 Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Pos_BHICONTROL(labeled16')_r1.raw SUBJECT_SAMPLE_FACTORS - Pos_BHICONTROL(labeled16')_r2 Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Pos_BHICONTROL(labeled16')_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_1' Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Neg_1'.raw SUBJECT_SAMPLE_FACTORS - Neg_1'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Neg_1'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_1'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae RAW_FILE_NAME=Neg_1'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_2' Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Neg_2'.raw SUBJECT_SAMPLE_FACTORS - Neg_2'_r1 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Neg_2'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_2'_r2 Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii RAW_FILE_NAME=Neg_2'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_3' Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Neg_3'.raw SUBJECT_SAMPLE_FACTORS - Neg_3'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Neg_3'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_3'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum RAW_FILE_NAME=Neg_3'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_4' Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Neg_4'.raw SUBJECT_SAMPLE_FACTORS - Neg_4'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Neg_4'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_4'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron RAW_FILE_NAME=Neg_4'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_5' Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Neg_5'.raw SUBJECT_SAMPLE_FACTORS - Neg_5'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Neg_5'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_5'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme RAW_FILE_NAME=Neg_5'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_6' Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Neg_6'.raw SUBJECT_SAMPLE_FACTORS - Neg_6'_r1 Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Neg_6'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_6'_r2 Genotype:bacterial community | Treatment:BHI spent by Blautia producta RAW_FILE_NAME=Neg_6'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_7' Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Neg_7'.raw SUBJECT_SAMPLE_FACTORS - Neg_7'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Neg_7'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_7'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens RAW_FILE_NAME=Neg_7'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_8' Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Neg_8'.raw SUBJECT_SAMPLE_FACTORS - Neg_8'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Neg_8'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_8'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium RAW_FILE_NAME=Neg_8'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_9' Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Neg_9'.raw SUBJECT_SAMPLE_FACTORS - Neg_9'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Neg_9'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_9'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae RAW_FILE_NAME=Neg_9'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_10' Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Neg_10'.raw SUBJECT_SAMPLE_FACTORS - Neg_10'_r1 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Neg_10'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_10'_r2 Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis RAW_FILE_NAME=Neg_10'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_11' Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Neg_11'.raw SUBJECT_SAMPLE_FACTORS - Neg_11'_r1 Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Neg_11'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_11'_r2 Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi RAW_FILE_NAME=Neg_11'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_12' Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Neg_12'.raw SUBJECT_SAMPLE_FACTORS - Neg_12'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Neg_12'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_12'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis RAW_FILE_NAME=Neg_12'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_13' Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Neg_13'.raw SUBJECT_SAMPLE_FACTORS - Neg_13'_r1 Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Neg_13'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_13'_r2 Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii RAW_FILE_NAME=Neg_13'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_14' Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Neg_14'.raw SUBJECT_SAMPLE_FACTORS - Neg_14'_r1 Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Neg_14'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_14'_r2 Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis RAW_FILE_NAME=Neg_14'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_15' Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Neg_15'.raw SUBJECT_SAMPLE_FACTORS - Neg_15'_r1 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Neg_15'_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_15'_r2 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis RAW_FILE_NAME=Neg_15'_r2.raw SUBJECT_SAMPLE_FACTORS - Neg_BHICONTROL(labeled16') Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Neg_BHICONTROL(labeled16').raw SUBJECT_SAMPLE_FACTORS - Neg_BHICONTROL(labeled16')_r1 Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Neg_BHICONTROL(labeled16')_r1.raw SUBJECT_SAMPLE_FACTORS - Neg_BHICONTROL(labeled16')_r2 Genotype:bacterial community | Treatment:BHI fresh RAW_FILE_NAME=Neg_BHICONTROL(labeled16')_r2.raw #COLLECTION CO:COLLECTION_SUMMARY Isolates were obtained via plating of in vitro communities –, derived from CO:COLLECTION_SUMMARY culturing fecal samples from humanized mice –, on agar plates made with CO:COLLECTION_SUMMARY various complex media and frozen as glycerol stocks, as previously described CO:COLLECTION_SUMMARY (Cell Host & Microbe (2022). CO:COLLECTION_SUMMARY https://doi.org/https://doi.org/10.1016/j.chom.2021.12.008, CO:COLLECTION_SUMMARY https://www.biorxiv.org/content/10.1101/2023.01.13.523996v1) Frozen stocks were CO:COLLECTION_SUMMARY streaked onto BHI-blood agar plates (5% defibrinated horse blood in 1.5% w/v CO:COLLECTION_SUMMARY agar). Resulting colonies were inoculated into 3 mL of Brain Heart Infusion CO:COLLECTION_SUMMARY (BHI) (BD #2237500) or modified Gifu Anaerobic Medium (mGAM) (HyServe #05433) in CO:COLLECTION_SUMMARY test tubes. All culturing was performed at 37 °C without shaking in an CO:COLLECTION_SUMMARY anaerobic chamber (Coy). To minimize potential physiological changes from CO:COLLECTION_SUMMARY freeze-thaw cycles and changes in growth medium, cultures were diluted 1:200 CO:COLLECTION_SUMMARY every 48 h for 3 passages before growth or metabolomics measurements. After the CO:COLLECTION_SUMMARY first passage, subsequent passages were performed in 96-well polystyrene plates CO:COLLECTION_SUMMARY (Greiner Bio-One #655161) filled with 200 μL of growth medium. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY Many combinations of bacterial isolates were assayed. details can be found in TR:TREATMENT_SUMMARY the publicly available preprint here: TR:TREATMENT_SUMMARY https://www.biorxiv.org/content/10.1101/2022.05.30.494065v1.abstract #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Spent media were collected as described above and immediately stored at -80 °C. SP:SAMPLEPREP_SUMMARY Samples were thawed only once, immediately before LC-MS/MS. Thawed samples were SP:SAMPLEPREP_SUMMARY kept on ice, each sample was homogenized by pipetting prior to dispensing. Two SP:SAMPLEPREP_SUMMARY 20-µL aliquots of supernatant were removed from each sample well and dispensed SP:SAMPLEPREP_SUMMARY into two shallow 96-well polypropylene plates, maintained on ice. Additionally, SP:SAMPLEPREP_SUMMARY 5 µL were removed from each sample and combined into a homogenous pool; this SP:SAMPLEPREP_SUMMARY pool was dispensed in 20-µL aliquots and prepared in parallel with samples. SP:SAMPLEPREP_SUMMARY These pooled samples were used for in-run quality control, injected at SP:SAMPLEPREP_SUMMARY predefined intervals over the course of analysis to ensure consistent instrument SP:SAMPLEPREP_SUMMARY performance over time. Samples were analyzed using two complementary SP:SAMPLEPREP_SUMMARY chromatography methods: reversed phase (C18) and hydrophilic interaction SP:SAMPLEPREP_SUMMARY chromatography (HILIC). HILIC data include in this study, C18 data can be found SP:SAMPLEPREP_SUMMARY uploaded in a separate study. All samples were analyzed by positive and negative SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI+, ESI-). Sample analysis order was randomized SP:SAMPLEPREP_SUMMARY to minimize potential bias in data acquisition. Procedural blanks were prepared SP:SAMPLEPREP_SUMMARY by extracting 20 µL of water in place of bacterial supernatant. Procedural SP:SAMPLEPREP_SUMMARY blanks were inserted throughout the run as additional quality control. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Bacterial supernatant were analyzed via hydrophilic interaction liquid CH:CHROMATOGRAPHY_SUMMARY chromatography (HILIC) coupled to a Thermo Q-Exactive HF high resolution mass CH:CHROMATOGRAPHY_SUMMARY spectrometer. Each sample was analyzed in both positive and negative ionization CH:CHROMATOGRAPHY_SUMMARY modes (ESI+, ESI-) via subsequent injections. Full MS-ddMS2 data was collected, CH:CHROMATOGRAPHY_SUMMARY an inclusion list was used to prioritize MS2 selection of metabolites from our CH:CHROMATOGRAPHY_SUMMARY in-house ‘local’ library, when additional scan bandwidth was available MS2 CH:CHROMATOGRAPHY_SUMMARY was collected in a data-dependent manner. Mass range was 60-900 mz, resolution CH:CHROMATOGRAPHY_SUMMARY was 60k (MS1) and 15k (MS2), centroid data was collected, loop count was 4, CH:CHROMATOGRAPHY_SUMMARY isolation window was 1.5 Da. Metabolomics data was processed using MS-DIAL v4.60 CH:CHROMATOGRAPHY_SUMMARY (https://www.nature.com/articles/s41587-020-0531-2) and queried against a CH:CHROMATOGRAPHY_SUMMARY combination of our in-house MS2 library CH:CHROMATOGRAPHY_SUMMARY (https://www.nature.com/articles/s41586-021-03707-9) and MassBank of North CH:CHROMATOGRAPHY_SUMMARY America, the largest freely available spectral repository CH:CHROMATOGRAPHY_SUMMARY (https://doi.org/10.1002/mas.21535). Annotations were scored using guidelines CH:CHROMATOGRAPHY_SUMMARY from the metabolomics standards initiative CH:CHROMATOGRAPHY_SUMMARY (https://www.nature.com/articles/nbt0807-846b). Features were excluded from CH:CHROMATOGRAPHY_SUMMARY analysis if peak height was not at least 5-fold greater in one or more samples CH:CHROMATOGRAPHY_SUMMARY compared to the procedural blank average. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Acquity BEH Amide (150 x 2.1mm, 1.7um) CH:SOLVENT_A Water + 10mM ammonium formate + 0.125% formic acid CH:SOLVENT_B 95% acetonitrile + 10mM ammonium formate + 0.125% formic acid CH:FLOW_GRADIENT Gradient elution was performed from 100% (B) at 0–2 min to 70% (B) at 7.7 min, CH:FLOW_GRADIENT 40% (B) at 9.5 min, 30% (B) at 10.25 min, 100% (B) at 12.75 min, isocratic until CH:FLOW_GRADIENT 16.75 min with a column flow of CH:FLOW_RATE 0.4 mL/min. CH:COLUMN_TEMPERATURE 45C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Full MS-ddMS2 data was collected, an inclusion list was used to prioritize MS2 MS:MS_COMMENTS selection of metabolites from our in-house ‘local’ library, when additional MS:MS_COMMENTS scan bandwidth was available MS2 was collected in a data-dependent manner. Mass MS:MS_COMMENTS range was 60-900 mz, resolution was 60k (MS1) and 15k (MS2), centroid data was MS:MS_COMMENTS collected, loop count was 4, isolation window was 1.5 Da. Metabolomics data was MS:MS_COMMENTS processed using MS-DIAL v4.60. Features were excluded from analysis if peak MS:MS_COMMENTS height was not at least 5-fold greater in one or more samples compared to the MS:MS_COMMENTS procedural blank average. MS:MS_RESULTS_FILE ST002832_AN004625_Results.txt UNITS:counts, height Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples M00179_20220322_Pos_1_MSA0001 M00179_20220322_Pos_1_MSA0002 M00179_20220322_Pos_1_MSA0003 M00179_20220322_Pos_1_MSA0004 M00179_20220322_Pos_1_MSA0005 M00179_20220322_Pos_1_MSA0006 M00179_20220322_Pos_1_MSA0007 M00179_20220322_Pos_1_MSA0008 M00179_20220322_Pos_1_MSA0009 M00179_20220322_Pos_1_MSA0010 M00179_20220322_Pos_1_MSA0011 M00179_20220322_Pos_1_MSA0012 M00179_20220322_Pos_1_MSA0013 M00179_20220322_Pos_1_MSA0014 M00179_20220322_Pos_1_MSA0015 M00179_20220322_Pos_1_MSA0016 M00179_20220322_Pos_1_MSA0017 M00179_20220322_Pos_1_MSA0018 M00179_20220322_Pos_1_MSA0019 M00179_20220322_Pos_1_MSA0020 M00179_20220322_Pos_1_MSA0021 M00179_20220322_Pos_1_MSA0022 M00179_20220322_Pos_1_MSA0023 M00179_20220322_Pos_1_MSA0024 M00179_20220322_Pos_1_MSA0025 M00179_20220322_Pos_1_MSA0026 M00179_20220322_Pos_1_MSA0027 M00179_20220322_Pos_1_MSA0028 M00179_20220322_Pos_1_MSA0029 M00179_20220322_Pos_1_MSA0030 M00179_20220322_Pos_1_MSA0031 M00179_20220322_Pos_1_MSA0032 M00179_20220322_Pos_1_MSA0033 M00179_20220322_Pos_1_MSA0034 M00179_20220322_Pos_1_MSA0035 M00179_20220322_Pos_1_MSA0036 M00179_20220322_Pos_1_MSA0037 M00179_20220322_Pos_1_MSA0038 M00179_20220322_Pos_1_MSA0039 M00179_20220322_Pos_1_MSA0040 M00179_20220322_Pos_1_MSA0041 M00179_20220322_Pos_1_MSA0042 M00179_20220322_Pos_1_MSA0043 M00179_20220322_Pos_1_MSA0044 M00179_20220322_Pos_1_MSA0045 M00179_20220322_Pos_1_MSA0046 M00179_20220322_Pos_1_MSA0047 M00179_20220322_Pos_1_MSA0048 M00179_20220322_Pos_1_MSA0049 M00179_20220322_Pos_1_MSA0050 M00179_20220322_Pos_1_MSA0051 M00179_20220322_Pos_1_MSA0052 M00179_20220322_Pos_1_MSA0053 M00179_20220322_Pos_1_MSA0054 M00179_20220322_Pos_1_MSA0055 M00179_20220322_Pos_1_MSA0056 M00179_20220322_Pos_1_MSA0057 M00179_20220322_Pos_1_MSA0058 M00179_20220322_Pos_1_MSA0059 M00179_20220322_Pos_1_MSA0060 M00179_20220322_Pos_1_MSA0061 M00179_20220322_Pos_1_MSA0062 M00179_20220322_Pos_1_MSA0063 M00179_20220322_Pos_1_MSA0064 M00179_20220322_Pos_1_MSA0065 M00179_20220322_Pos_1_MSA0066 M00179_20220322_Pos_1_MSA0067 M00179_20220322_Pos_1_MSA0068 M00179_20220322_Pos_1_MSA0069 M00179_20220322_Pos_1_MSA0070 M00179_20220322_Pos_1_MSA0071 M00179_20220322_Pos_1_MSA0072 M00179_20220322_Pos_1_MSA0073 M00179_20220322_Pos_1_MSA0074 M00179_20220322_Pos_1_MSA0075 M00179_20220322_Pos_1_MSA0076 M00179_20220322_Pos_1_MSA0077 M00179_20220322_Pos_1_MSA0078 M00179_20220322_Pos_2_MSA0001 M00179_20220322_Pos_2_MSA0002 M00179_20220322_Pos_2_MSA0004 M00179_20220322_Pos_2_MSA0005 M00179_20220322_Pos_2_MSA0006 M00179_20220322_Pos_2_MSA0008 M00179_20220322_Pos_2_MSA0009 M00179_20220322_Pos_2_MSA0012 M00179_20220322_Pos_2_MSA0013 M00179_20220322_Pos_2_MSA0014 M00179_20220322_Pos_2_MSA0016 M00179_20220322_Pos_2_MSA0019 M00179_20220322_Pos_2_MSA0020 M00179_20220322_Pos_2_MSA0022 M00179_20220322_Pos_2_MSA0023 M00179_20220322_Pos_2_MSA0028 M00179_20220322_Pos_2_MSA0029 M00179_20220322_Pos_2_MSA0037 M00179_20220322_Pos_2_MSA0038 M00179_20220322_Pos_2_MSA0040 M00179_20220322_Pos_2_MSA0041 M00179_20220322_Pos_2_MSA0044 M00179_20220322_Pos_2_MSA0045 M00179_20220322_Pos_2_MSA0046 M00179_20220322_Pos_2_MSA0048 M00179_20220322_Pos_2_MSA0050 M00179_20220322_Pos_2_MSA0051 metaboproj_165H_20220125_Pos_1_MSA0001 metaboproj_165H_20220125_Pos_1_MSA0002 metaboproj_165H_20220125_Pos_1_MSA0003 metaboproj_165H_20220125_Pos_1_MSA0005 metaboproj_165H_20220125_Pos_1_MSA0006 metaboproj_165H_20220125_Pos_1_MSA0008 metaboproj_165H_20220125_Pos_1_MSA0010 metaboproj_165H_20220125_Pos_1_MSA0011 metaboproj_165H_20220125_Pos_1_MSA0012 metaboproj_165H_20220125_Pos_1_MSA0013 metaboproj_165H_20220125_Pos_1_MSA0014 metaboproj_165H_20220125_Pos_1_MSA0015 metaboproj_165H_20220125_Pos_1_MSA0016 metaboproj_165H_20220125_Pos_1_MSA0017 metaboproj_165H_20220125_Pos_1_MSA0018 metaboproj_165H_20220125_Pos_1_MSA0020 metaboproj_165H_20220125_Pos_1_MSA0021 metaboproj_165H_20220125_Pos_1_MSA0023 metaboproj_165H_20220125_Pos_1_MSA0024 metaboproj_165H_20220125_Pos_1_MSA0025 metaboproj_165H_20220125_Pos_1_MSA0029 metaboproj_165H_20220125_Pos_1_MSA0030 metaboproj_165H_20220125_Pos_1_MSA0031 metaboproj_165H_20220125_Pos_1_MSA0032 metaboproj_165H_20220125_Pos_1_MSA0033 metaboproj_165H_20220125_Pos_1_MSA0034 metaboproj_165H_20220125_Pos_1_MSA0035 metaboproj_165H_20220125_Pos_1_MSA0036 metaboproj_165H_20220125_Pos_1_MSA0037 metaboproj_165H_20220125_Pos_1_MSA0038 metaboproj_165H_20220125_Pos_1_MSA0040 metaboproj_165H_20220125_Pos_1_MSA0043 metaboproj_165H_20220125_Pos_1_MSA0045 metaboproj_165H_20220125_Pos_1_MSA0046 metaboproj_165H_20220125_Pos_1_MSA0047 metaboproj_165H_20220125_Pos_1_MSA0048 metaboproj_165H_20220125_Pos_1_MSA0051 metaboproj_165H_20220125_Pos_1_MSA0052 metaboproj_165H_20220125_Pos_1_MSA0053 metaboproj_165H_20220125_Pos_1_MSA0054 metaboproj_165H_20220125_Pos_1_MSA0055 metaboproj_165H_20220125_Pos_1_MSA0056 metaboproj_165H_20220125_Pos_1_MSA0057 metaboproj_165H_20220125_Pos_1_MSA0058 metaboproj_165H_20220125_Pos_1_MSA0060 metaboproj_165H_20220125_Pos_1_MSA0061 metaboproj_165H_20220125_Pos_1_MSA0062 metaboproj_165H_20220125_Pos_1_MSA0063 Pos_1' Pos_1'_r1 Pos_1'_r2 Pos_2' Pos_2'_r1 Pos_2'_r2 Pos_3' Pos_3'_r1 Pos_3'_r2 Pos_4' Pos_4'_r1 Pos_4'_r2 Pos_5' Pos_5'_r1 Pos_5'_r2 Pos_6' Pos_6'_r1 Pos_6'_r2 Pos_7' Pos_7'_r1 Pos_7'_r2 Pos_8' Pos_8'_r1 Pos_8'_r2 Pos_9' Pos_9'_r1 Pos_9'_r2 Pos_10' Pos_10'_r1 Pos_10'_r2 Pos_11' Pos_11'_r1 Pos_11'_r2 Pos_12' Pos_12'_r1 Pos_12'_r2 Pos_13' Pos_13'_r1 Pos_13'_r2 Pos_14' Pos_14'_r1 Pos_14'_r2 Pos_15' Pos_15'_r1 Pos_15'_r2 Pos_BHICONTROL(labeled16') Pos_BHICONTROL(labeled16')_r1 Pos_BHICONTROL(labeled16')_r2 Factors Genotype:bacterial community | Treatment:15-member community timepoint 11 Genotype:bacterial community | Treatment:15-member community timepoint 21 Genotype:bacterial community | Treatment:15-member community timepoint 7 Genotype:bacterial community | Treatment:15-member community timepoint 19 Genotype:bacterial community | Treatment:15-member community timepoint 11 Genotype:bacterial community | Treatment:15-member community timepoint 14 Genotype:bacterial community | Treatment:15-member community timepoint 23 Genotype:bacterial community | Treatment:15-member community timepoint 5 Genotype:bacterial community | Treatment:15-member community timepoint 6 Genotype:bacterial community | Treatment:15-member community timepoint 8 Genotype:bacterial community | Treatment:15-member community timepoint 5 Genotype:bacterial community | Treatment:15-member community timepoint 9 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix Genotype:bacterial community | Treatment:15-member community timepoint 23 Genotype:bacterial community | Treatment:15-member community timepoint 18 Genotype:bacterial community | Treatment:15-member community timepoint 5 Genotype:bacterial community | Treatment:BHI-heme Genotype:bacterial community | Treatment:15-member community timepoint 2 Genotype:bacterial community | Treatment:15-member community timepoint 18 Genotype:bacterial community | Treatment:15-member community timepoint 3 Genotype:bacterial community | Treatment:15-member community timepoint 19 Genotype:bacterial community | Treatment:15-member community timepoint 10 Genotype:bacterial community | Treatment:15-member community timepoint 16 Genotype:bacterial community | Treatment:15-member community timepoint 13 Genotype:bacterial community | Treatment:15-member community timepoint 10 Genotype:bacterial community | Treatment:15-member community timepoint 3 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix Genotype:bacterial community | Treatment:15-member community timepoint 4 Genotype:bacterial community | Treatment:15-member community timepoint 17 Genotype:bacterial community | Treatment:15-member community timepoint 22 Genotype:bacterial community | Treatment:15-member community timepoint 4 Genotype:bacterial community | Treatment:15-member community timepoint 13 Genotype:bacterial community | Treatment:15-member community timepoint 14 Genotype:bacterial community | Treatment:15-member community timepoint 19 Genotype:bacterial community | Treatment:15-member community timepoint 10 Genotype:bacterial community | Treatment:15-member community timepoint 20 Genotype:bacterial community | Treatment:15-member community timepoint 9 Genotype:bacterial community | Treatment:15-member community timepoint 2 Genotype:bacterial community | Treatment:15-member community timepoint 16 Genotype:bacterial community | Treatment:15-member community timepoint 2 Genotype:bacterial community | Treatment:15-member community timepoint 21 Genotype:bacterial community | Treatment:15-member community timepoint 12 Genotype:bacterial community | Treatment:15-member community timepoint 9 Genotype:bacterial community | Treatment:15-member community timepoint 13 Genotype:bacterial community | Treatment:15-member community timepoint 1 Genotype:bacterial community | Treatment:15-member community timepoint 1 Genotype:bacterial community | Treatment:15-member community timepoint 17 Genotype:bacterial community | Treatment:BHI-heme Genotype:bacterial community | Treatment:15-member community timepoint 20 Genotype:bacterial community | Treatment:15-member community timepoint 16 Genotype:bacterial community | Treatment:15-member community timepoint 22 Genotype:bacterial community | Treatment:15-member community timepoint 18 Genotype:bacterial community | Treatment:15-member community timepoint 1 Genotype:bacterial community | Treatment:15-member community timepoint 15 Genotype:bacterial community | Treatment:15-member community timepoint 11 Genotype:bacterial community | Treatment:15-member community timepoint 14 Genotype:bacterial community | Treatment:15-member community timepoint 7 Genotype:bacterial community | Treatment:15-member community timepoint 21 Genotype:bacterial community | Treatment:15-member community timepoint 22 Genotype:bacterial community | Treatment:15-member community timepoint 8 Genotype:bacterial community | Treatment:15-member community timepoint 4 Genotype:bacterial community | Treatment:15-member community timepoint 15 Genotype:bacterial community | Treatment:15-member community timepoint 12 Genotype:bacterial community | Treatment:15-member community timepoint 15 Genotype:bacterial community | Treatment:15-member community timepoint 3 Genotype:bacterial community | Treatment:15-member community timepoint 8 Genotype:bacterial community | Treatment:BHI fresh timecourse experiment Genotype:bacterial community | Treatment:BHI fresh timecourse experiment Genotype:bacterial community | Treatment:15-member community timepoint 20 Genotype:bacterial community | Treatment:15-member community timepoint 6 Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix Genotype:bacterial community | Treatment:15-member community timepoint 23 Genotype:bacterial community | Treatment:15-member community timepoint 7 Genotype:bacterial community | Treatment:15-member community timepoint 12 Genotype:bacterial community | Treatment:15-member community timepoint 6 Genotype:bacterial community | Treatment:BHI-heme Genotype:bacterial community | Treatment:BHI fresh timecourse experiment Genotype:bacterial community | Treatment:15-member community timepoint 17 Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis additional experiment Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI-heme spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI-heme spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:Escherichia fergusonii-spent media spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron additional experiment Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:9-to-1 fresh BHI and Escherichia fergusonii-spent media mix spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii additional experiment Genotype:bacterial community | Treatment:mGAM spent by Blautia producta Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:mGAM fresh Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae Genotype:bacterial community | Treatment:mGAM spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium Genotype:bacterial community | Treatment:mGAM spent by Blautia producta Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:mGAM fresh Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii Genotype:bacterial community | Treatment:mGAM spent by Flavonifractor plautii Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum Genotype:bacterial community | Treatment:mGAM spent by Enterococcus hirae Genotype:bacterial community | Treatment:mGAM spent by Clostridium symbiosum Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecium Genotype:bacterial community | Treatment:mGAM spent by Escherichia fergusonii Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis Genotype:bacterial community | Treatment:mGAM spent by Clostridium hylemonae Genotype:bacterial community | Treatment:mGAM fresh Genotype:bacterial community | Treatment:mGAM spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:mGAM spent by Enterococcus faecalis Genotype:bacterial community | Treatment:mGAM spent by Bacteroides uniformis Genotype:bacterial community | Treatment:mGAM spent by Clostridium hathewayi Genotype:bacterial community | Treatment:mGAM spent by Clostridium scindens Genotype:bacterial community | Treatment:mGAM spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:mGAM spent by Bacteroides fragilis Genotype:bacterial community | Treatment:mGAM spent by Blautia producta Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae Genotype:bacterial community | Treatment:BHI spent by Enterococcus hirae Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii Genotype:bacterial community | Treatment:BHI spent by Escherichia fergusonii Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum Genotype:bacterial community | Treatment:BHI spent by Clostridium symbiosum Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI spent by Bacteroides thetaiotaomicron Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:BHI spent by Clostridium clostridioforme Genotype:bacterial community | Treatment:BHI spent by Blautia producta Genotype:bacterial community | Treatment:BHI spent by Blautia producta Genotype:bacterial community | Treatment:BHI spent by Blautia producta Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens Genotype:bacterial community | Treatment:BHI spent by Clostridium scindens Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecium Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae Genotype:bacterial community | Treatment:BHI spent by Clostridium hylemonae Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis Genotype:bacterial community | Treatment:BHI spent by Enterococcus faecalis Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi Genotype:bacterial community | Treatment:BHI spent by Clostridium hathewayi Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis Genotype:bacterial community | Treatment:BHI spent by Bacteroides fragilis Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii Genotype:bacterial community | Treatment:BHI spent by Flavonifractor plautii Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis Genotype:bacterial community | Treatment:BHI spent by Bacteroides uniformis Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI spent by Parabacteroides distasonis Genotype:bacterial community | Treatment:BHI fresh Genotype:bacterial community | Treatment:BHI fresh Genotype:bacterial community | Treatment:BHI fresh 1_1-Methylnicotinamide-d3 587012736 603684288 562310208 587605824 582924608 586329216 623644736 603790976 576673984 636712320 527449088 599821568 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900796736 804695936 808734976 797104256 792525888 781710080 812844992 748952576 770216320 791248768 794360896 753473856 760636800 His-Met 315559 362719 360393 308166 292165 432788 628861 368028 379125 402030 334689 390200 844181 636638 447172 397997 1042539 1132920 445015 979847 410420 320441 498510 377325 356822 886425 898964 811254 500267 417677 841124 338758 408462 373746 341171 397410 391869 1210578 593685 1120406 387719 380191 390921 292423 1178551 1086242 559292 915053 363510 552755 493466 484294 1101871 451230 349626 427482 357654 367737 393069 398524 815388 478381 407238 507098 1007172 428262 1100748 1091233 374671 375817 1126188 769588 423876 341201 398418 1143299 1105794 512320 1116878 1323666 948191 846423 593742 1071638 1127821 1371489 969630 1478220 1170906 1355878 1250599 803549 930518 1260882 1122092 1125728 766693 1223098 859344 1073232 1222010 724213 956632 924768 724492 228484 2019725 2055364 1047456 1632312 2411884 475789 4904064 2868462 2783564 1463898 4854864 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973779 891527 138155 7822 760051 744854 696032 38265 160254 0 40729 960449 55737 53358 1334547 84912 685740 56773 0 28267 837842 193147 148858 275830 843124 750957 432645 625784 502818 371438 501927 184600 450474 174756 701332 716270 483930 930384 298823 735165 110572 753480 233727 140187 619235 281500 380220 738041 40408 32405 32548 38155 144671 157471 230808 301332 56443 58314 317315 320941 300470 62038 302686 149616 63019 166215 205011 56536 54098 126090 44570 49657 424465 57893 49444 43494 121618 55312 437109 193891 47291 40760 41398 163041 187039 149230 209758 31666 95705 143654 284256 47784 47472 49269 402267 48554 17538 28756 20378 814894 790792 856966 8246 5474 0 61142 52556 51091 0 0 0 0 0 0 0 0 0 39052 24323 27299 0 0 5202 26090 24757 26718 0 0 0 1110587 1160692 1166372 11495 0 0 503205 514050 550944 11926 5948 0 16479 6631 13585 3-Methyloxyindole 242326 573099 207038 429052 258353 233578 617592 232783 206140 268653 191633 931322 196626 643812 382938 284349 175263 209271 314157 195734 458540 195575 365605 285053 263282 221610 181602 269288 375572 639868 254143 232090 303187 348871 295879 526055 241380 284350 452147 219469 493400 322095 210576 257964 179708 195866 323032 227796 474311 384446 622551 397554 269926 320207 228814 305005 262059 518990 578494 288377 228415 327808 277605 298522 56562 278702 207862 227377 525295 222503 173420 779459 201809 294474 284687 221421 212741 402305 242151 296936 274849 252500 317453 322663 295438 261170 245404 295759 316290 375311 261874 352405 297833 441223 532822 330226 324629 224714 314478 276253 273517 340399 280130 250566 404670 206149 161747 95008 79963 65525 120643 560546 393439 368981 131387 87359 83826 109003 85210 76648 410219 452714 163023 481833 397317 124261 434777 93335 347598 78754 399241 441802 374359 92564 102332 407462 107061 490308 350330 489956 106625 397646 389180 129237 86082 90888 152268 86089 374606 138573 384796 152774 329916 61864 39200 52316 304759 67534 317630 318647 83878 89816 69305 27308 43863 313746 48624 297480 38581 28252 301138 35355 282040 292966 82680 44232 334024 46409 59501 42838 49776 68784 46513 37720 36968 39236 77250 50853 59099 35076 66432 329786 43099 320964 346255 25218 76240 34876 399538 390279 162675 Gly-Ser 24314 16820 29009 7908 20232 18783 26988 42048 35862 29161 45227 22913 457446 19338 13304 40682 507684 524353 18435 454521 16874 25867 5839 23004 28261 437056 519369 281032 19191 18697 244668 12400 16073 8423 22061 19081 31704 516857 17555 599021 10980 16214 21900 19162 581361 448207 18264 502580 11632 21489 23542 19889 543756 10114 18361 15462 22734 16087 17880 32964 277045 15023 14214 17554 526138 28591 534554 479481 8448 22330 478514 36886 10233 16907 21901 460360 493796 20727 761906 588060 874595 552737 325020 803648 950243 1117399 1038372 1123062 736060 1062482 757959 691994 645789 972959 1137019 738352 22803 668658 715269 608085 596330 32454 889679 1015937 17741 1124236 326207 109614 957003 91600 137669 9112 12279912 1460870 157658 6215708 11948264 5493425 1329574 11728255 130418 1311865 133426 12272 1590178 1642419 4267654 490904 1643693 1275039 1558743 1622328 1552260 3937424 587974 1474945 131871 522026 1353934 502362 112973 128416 156271 20130 1106873 4211023 139350 5998080 1585411 148967 585414 1216192 1314251 1254811 1401786 1259613 79895 79332 93927 232290 240934 211908 1734566 1641461 2169836 87007 98164 110709 1470144 1836460 1784973 24816 36416 33162 2091516 1448948 1592110 26172 24401 28490 1596352 1446269 1559687 2411156 1739520 1785444 570291 622888 663701 2026289 1985610 2378865 2692416 2529177 2435666 1655213 1991974 1574238 1569734 1618950 1680086 Ile-Ile 11028997 2216030 18459948 1367484 10086084 5141516 4377322 18126290 17392208 15492999 19265628 14839457 50128060 3561872 2533402 17939060 65410056 54206192 2090900 46358916 1745818 14371816 4841962 4046158 13776752 57080476 55444252 34966908 4137851 3035340 44978084 5603700 5340224 1932338 18546082 1397103 17172254 72475648 5019442 70196968 2126649 5955757 16521056 5402824 58770172 69553712 3968766 62500820 1327447 4999148 3033050 3091180 63526324 4530226 11013865 5095597 15507907 1899688 2392169 17166804 33750088 5058400 5799106 4394384 62176544 17692388 62274488 65606180 1408072 16533566 53339048 6117039 19929862 6459317 18751850 60471840 74211224 4066575 76940880 78386880 85276000 18326372 48656832 81942992 73899720 35162400 82254768 38092088 79261336 37218172 81568080 75223896 23693060 87531408 145496368 85053800 5712638 67531488 28560042 71176296 64884552 5787152 72260736 77262936 6787076 8213028 31821398 36546796 17396330 19580438 69874560 14181552 145055600 75064104 61152864 52930472 137019840 49066700 27161072 135141136 17637044 9541643 17400838 14922897 95057168 86581560 63693612 2522992 77993496 14988833 102985440 105225472 73727384 57430740 3633725 16626822 26728396 50734324 27088642 44565508 21389672 26119636 65534536 14855582 51678684 60067692 70580296 52207476 83275936 61216152 3527900 13690303 9061996 39241576 37848892 38966128 40973432 41626188 41520988 75893760 75321240 78241264 161159296 168211744 158858960 1528102 1634117 1662160 8592991 8482288 8790675 134923888 137581424 134726464 78876336 58221180 53891108 3951536 3748791 4454603 72606352 76546320 72424824 89415392 83210232 82316648 35848272 35102896 35664044 188794576 200493584 197142944 168703072 172808928 176506288 159454752 164689376 162028352 142553632 143751104 143929264 Ile-Val 6477119 555895 13930015 271708 6992706 943933 978275 18938230 18864136 15063948 19759894 14863286 22472778 998779 433726 17030942 30066188 24561954 376970 27965700 360831 11519366 690086 1483753 11505474 29419436 29685020 26317472 609545 960892 26644788 1867567 976176 351892 10691465 336272 12868127 31256664 662755 30963562 477584 2330004 12834550 1476302 25453506 36341948 517293 30230238 345607 682307 761658 503214 24332800 799045 6844618 932498 17779842 501264 879262 15657568 25775576 893407 2741049 699386 27843704 15667000 26014424 26563294 389863 19750914 28168606 1689076 18028490 3107720 15939665 31742156 29579616 643201 33920008 28485656 28860598 6102238 19481864 26607748 29138280 10725598 23799178 12805546 26496742 10553244 26200304 27748240 6211750 31138112 26052152 31811022 7951646 28508384 6815710 30059452 27911144 7089402 30325028 26103506 7902700 3171661 53901020 60802060 63093660 44404900 47178016 19365026 94243080 86657400 79000200 27814246 81377984 27725816 72009856 90290344 42044496 3110643 43604676 21974006 80562704 71488264 35083148 1101518 87246064 8308212 83143472 88286384 69048352 33583856 1756052 8834455 50211380 70905416 77025056 65208132 47592332 50476828 51868624 20905524 70557240 36007688 53395616 26894042 74144536 75926160 1505559 7918076 3196402 81731224 84313576 73802400 49845816 48953840 56765748 85351936 81392432 84495136 119996792 118494536 114298856 1134517 1285269 1286014 7002926 7051709 6852052 104789280 101159784 104885880 92425384 82732008 91034208 1252307 1408701 1571206 82313360 91814432 92706624 97225920 85721936 89159144 23970156 24463186 24917424 109804960 114769848 120046848 102225088 111599472 108396192 118143016 119389112 109429088 105579600 108645496 101383864 Thr-Glu 1274837 752176 1541066 497005 864517 806616 972039 1219337 1631134 1559584 1498201 1126630 1796562 952299 719216 1523313 4247726 3646674 772825 2198707 727815 1435815 967513 1078599 1355804 2128816 1669009 2097234 880453 958928 1370416 1001118 1057088 660965 1716778 477109 1568737 3502627 952018 3657714 691960 1039984 1267242 967987 3490039 4135460 957049 4663338 559371 955474 752492 900958 3599450 907200 1594050 1202859 1598674 732867 693181 1604814 1570357 958586 1190591 909166 2164589 1585798 4334129 4440830 571120 1793264 1923130 1420451 1526423 1249916 1727581 4167810 4572870 827720 6458042 5246453 7163315 2149488 5202788 8225402 8093070 2451690 4715516 3613048 6268385 2651862 2796052 8249171 2897628 8507643 15768052 7315960 1738780 2501828 2577536 5894120 2918701 1782822 3296501 4244124 1890929 2633216 1797870 2164307 2855266 1354992 1326196 1493922 25793032 3429139 3412347 10417352 24375674 9820894 3924464 24413640 1592546 2978310 1486600 1469067 4229924 3623534 10973810 3279614 3675526 13404512 3939148 4442527 3549951 10511752 3417185 14405702 1789254 2955782 3777968 2829811 1556700 1986248 1468226 1519448 2560710 11129131 1319851 9300081 3655784 3603639 3490396 11969594 3465758 12964926 12286311 12143239 3333556 3263112 3593410 17103382 16894378 17659728 19954300 19481892 17320222 9915558 9457620 9434473 10179951 10272467 10070095 17974350 17943564 16871096 17999174 13770794 12555598 15448155 14135954 13613367 9047619 9431545 8483112 13269427 12954407 12584431 18331020 19100392 20383212 18971458 19897466 18703284 23628410 23644064 23063318 16379581 16554312 18000162 17587946 16154691 17265168 N,N-Diethyl-2-aminoethanol 1406955 1344772 1884474 1010653 1228114 1479526 607520 2285241 2088626 1940648 2209362 1516811 629983 517573 974165 2027676 596217 1937480 1153185 1956765 739034 1117776 1228943 1395683 1452677 1964393 652180 2257405 1384717 1514541 2230083 1473055 1416446 1131820 1026679 833802 1696746 2054939 1414194 1967146 1071791 1312617 1015697 1394026 1928922 1899794 1397425 592769 967508 1237134 1221819 979318 1932055 1149561 1213505 1470238 2053646 1317385 1249229 1803157 2320942 1476149 1510016 1250200 1896957 1949551 637256 622845 1064718 2237676 600664 589956 2077464 1471354 2301104 605350 644098 1186626 840622 797034 946564 1632967 875166 899244 938586 1282036 1211271 1371679 788644 1441734 1194880 951061 1436651 1123243 2103452 940694 1237517 1049160 1539868 873314 1151225 1144897 1185392 1170228 1102601 4065049 4156712 4132378 3254218 4355491 5486470 5616296 5381088 4936046 5085478 5328072 5291258 5276168 4015047 5031386 5197628 5070584 5363105 6002866 5814997 5500461 4197934 5359813 5454267 5848730 6213146 5995001 5243058 5373268 5179427 5964133 5596694 5603801 3463332 4928629 4875469 5804068 4977541 5804541 5698850 4977112 5020212 5242675 5455143 5351547 5682158 5576160 4732301 2422054 1970848 4059032 4240151 3865043 4014513 3444772 3153134 3506797 3121188 6144788 4687278 4058933 3368012 3194841 3052690 3082998 3005562 2847068 2936799 2906892 2526800 1954821 2146248 4071084 2977438 3203955 1729439 1829149 1849922 2861596 2733172 2827313 3070486 3227422 3207016 3835905 3368063 3399968 3131549 3205179 3095415 2889736 3011996 3173292 2681085 2953456 2809368 2-Phenylethylamine 990427392 1440449280 570417920 1189763840 1010334016 1286969728 1423629056 263892368 454431328 671792320 266381728 710086400 87029704 1406135552 1265098624 264506112 84651832 112178696 1400834816 121400160 1252993024 807153472 1195940224 1232978816 837550848 127821840 101397176 185118896 1356571008 1410930432 184074240 1269436800 1071159168 1447906304 794823488 1302513024 805706944 143190800 1330295808 140194240 1296781824 1034462080 787828800 1205785216 129822936 117675928 1330198144 99928352 1463460736 1314379392 1485525376 1324134784 118049024 1243305984 1086873600 1173791232 549691776 1288415488 1591043712 664731776 180233312 1264731392 1286590720 1064951232 130355864 714005120 105229504 104665888 1399923712 458061696 96796640 1721761408 568912640 1257486080 455886080 118072904 119663864 1348125184 134650688 141355040 130992232 131883408 124167016 132330272 141619952 140546928 142526816 134311024 127177424 146949424 122247944 123879544 126498296 147434928 218183792 133500912 146508144 117118016 126220896 107820576 133262136 129369480 124543488 117042064 129818352 52379008 41918832 41115360 2370728192 41344616 2099467264 47335372 46131928 47425172 46760628 46991664 47653712 45398456 3078366720 45453760 2190181632 49871752 2140642048 52372664 48649888 52186332 47258972 49316660 48136368 48614672 48399608 49156084 48453704 46094860 50767076 48903700 48730172 48033488 2956500480 47449008 1844841344 49486032 2066975232 51365936 43760336 49341416 2096342144 47823304 50291416 50037172 49996596 45079780 46599456 4665486848 4648728576 4629538304 369960960 362747712 373218208 349640000 343260128 351389408 349179168 350701568 355610048 353290688 371419040 368676000 358635360 366324512 366387488 358708992 358632384 355000288 4116317184 4260712448 4179781888 374765120 367309856 383607776 4818321920 4813701120 4750359552 368860640 363561952 362493120 324966016 333290752 332177760 357959072 361130144 358836096 356527008 355393088 359222176 348664128 358997824 347107872 343340800 333539040 347906784 Thr-Gly 1158653 479806 1907432 106173 1114271 716975 113846 2556513 2257340 1818468 2289329 1763333 7595428 786701 436497 3033070 8128334 9027372 512089 7551093 458658 1738409 653371 702001 1632885 7859320 7103122 6379728 678651 114469 5417407 672512 570397 462189 1821176 422675 2010552 8294556 475195 8006130 502072 832863 1780930 697815 9177888 9865089 497979 8393112 417476 490420 682227 506999 8804042 551015 1246024 702121 2007867 542903 710054 2116345 5467030 601350 737913 454239 8602335 1901576 7230988 8569634 495342 2358048 8086376 129890 2078657 924580 2440201 9007882 8463068 540997 10211202 9111907 8788906 5214875 5539880 10349557 11764849 5461192 11783963 7219266 9990846 6266139 9853103 8863480 6542607 10506976 13240619 9603039 484383 8262500 7439457 8592264 8562977 456514 9965244 9843162 459016 21850482 25501856 24804998 23653442 2323854 5307608 674409 56430868 38576264 35374276 41135348 53471368 38310752 29491350 56046568 3395999 24652568 3397966 681406 39258564 41756148 37252888 11491508 43825768 10867844 39944700 43591956 39712488 33446962 13652260 11344930 2772000 35740732 29743740 34299820 3449649 3139789 5485102 600636 31606852 35473748 5595280 38217868 41239504 35644100 13061944 10795634 23338496 16541839 16126175 15482601 1527054 168008 153163 28141540 27342088 28339418 29879248 29418346 27770362 1197534 1192494 1116200 20975668 21369990 22017610 24832066 24677464 22362826 28822926 21164736 20518814 371040 363637 383647 14212019 15242758 15313446 30639306 29655782 30690270 7532790 7722366 7545015 34459180 32606202 32641842 32140462 32872974 31853138 29894778 30472532 28920208 27878990 28675376 28207474 Met-Val 13906 19136 91671 11007 0 35885 22336 157182 116351 72720 147447 39842 926728 15455 33920 132380 988522 950433 20419 798781 19603 38260 48814 86733 36278 826882 892674 516052 19392 8582 453667 39512 66745 11518 22609 26894 53659 836034 33663 1030168 9906 7530 61841 20550 869668 1059736 24156 779356 8374 50768 0 21444 868500 52118 17159 54710 69984 20927 25440 30841 633122 38323 41042 42599 699495 91844 907550 1005652 9653 109866 817164 20198 71737 17942 105792 959617 1054524 31698 1048482 1043246 982944 862725 658164 1347827 920702 1676985 804590 1625797 1020465 1764299 1002123 1209806 928465 1216540 1369821 1113846 20392 1045088 1100230 774662 911772 18167 860321 764927 22420 407167 1466565 1528398 576716 0 258894 44255 6551798 2153208 2206496 1235143 5704412 1250363 584446 6078508 32454 500338 44146 46801 2032491 2158090 2100700 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122323592 117875912 126871440 366769280 116073520 36107820 35520036 36783988 38146884 36398848 37846576 37521460 37806700 38804480 32090780 33916076 30496522 34981340 36097644 36035584 35736316 34535140 33111112 38202744 38598960 37793856 45531208 38400984 37302432 36114276 36846396 36552820 36601640 37848836 35809408 34285560 36522604 35367200 38564068 37838060 39390456 34086176 33785288 31896002 31784568 32679854 32941622 33091192 31783682 31810408 33600980 32123740 33052850 Ala-Thr 222006 82482 221622 89107 46937 82550 125699 41675 150843 261679 41822 44860 9532060 96617 76566 157464 10752721 9423550 88104 9002685 78084 219961 92470 111763 206378 8220851 9349500 1738788 102164 124097 1016448 101956 78556 104425 39102 91569 45892 8894535 81360 11486133 91214 116854 54241 108563 9760831 9358060 94097 10579374 79779 87987 115189 90482 9323997 81244 42412 113892 251994 101349 116620 39754 1390310 98484 94263 82674 6895241 197371 10630630 8908815 97839 31099 8381876 184138 24535 246338 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6496961 6599657 6383398 5084960 5235414 5022476 5165279 4737792 5004496 Thr-Gln 262975 154360 734406 143488 263449 130859 264360 843463 950476 758847 874183 714900 3447531 206265 184813 897716 3702447 4224001 161953 3758798 156105 712391 124305 133216 755930 3466270 3127694 1706682 151498 139982 1959388 172216 114976 179344 773752 155928 673123 4814322 141131 3742700 134565 141471 824361 162801 4271426 4241176 103049 4209056 141182 137368 173992 156118 3542446 128729 356146 152992 981674 165347 152892 942158 2013309 143386 142105 164133 3862440 878419 4238474 4387623 149170 948580 3299445 273291 814964 132637 896520 4057500 4398510 151323 5692392 5955642 6935783 2228251 4945326 8947097 10338487 4117244 8258848 5149997 6812177 4727586 5887410 8082974 2725540 9917106 13163249 7961889 806436 6314557 3470380 6255655 6224968 749520 7545361 9619754 840242 1609415 64162 2973538 2710229 1522489 1015794 152838 17764354 3767738 3840234 6514072 19927772 6798272 3826188 20273184 1180256 2199366 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102149 395264 133735 162524 112813 119486 164804 178408 274583 172208 179659 267589 156281 168351 167072 275723 195767 290651 170633 197911 176848 202090 153025 159742 153318 149113 86840 299362 152535 502158 177767 187036 179700 240998 170874 268685 170823 268249 210806 200894 169212 227930 322933 301446 206767 337482 153248 198639 189133 176098 241209 172766 111636 285358 263098 223238 357893 232830 171698 224427 252812 148282 234101 243138 184044 159509 289822 284615 225242 206538 185262 201915 317321 182164 468555 421860 434077 258607 190483 231859 440820 328305 482776 N-Acetylphenylalanine 235842 450027 200691 379291 230266 278075 310158 108740 96464 100473 105803 174872 93801 284278 188672 109533 108365 107652 215702 84518 223178 140388 193444 156552 121025 104798 120156 149702 281983 445938 176027 300138 256682 373421 219184 411384 182368 196794 316516 180313 411734 235050 236812 230043 163411 158775 264809 152798 371159 289032 418366 330562 153046 210443 214576 208616 134908 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6836108 7168002 N-Methyl-L-threonine 231768 857348 225856 749479 197941 341416 938256 280067 179657 244307 219383 208371 181746 1044743 458778 256788 172307 250762 531888 216572 642308 254866 479064 270426 164800 223544 200837 242299 502370 889527 235790 316455 303103 721328 200692 826388 192785 223604 425465 249765 734703 317915 188496 309289 184042 277496 477424 239325 708062 438631 779546 599740 211532 413265 187384 351243 174708 820042 705323 219966 219045 362021 218843 413370 185776 285433 198065 292556 700241 224382 194161 1268405 192197 259501 223452 224731 198117 417984 220381 245300 285774 248393 293891 329036 251752 277327 252383 269243 243651 235859 289987 314244 236928 311366 318962 199398 278535 219254 244279 276590 264703 286815 256488 271765 244228 1309151 1049542 1828998 1219196 1087319 1230202 3484142 1316587 1190316 2687803 1353520 1332871 1345430 1351858 1330747 1328928 1318653 1272938 3679712 1476790 1358589 1259511 1331075 1409895 1309559 1427907 1453874 1385824 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569443 623172 615929 614297 578706 663537 671627 804456 532680 517020 627833 443286 482349 718092 599482 749884 420027 398265 364085 417813 201827 1791417 512861 359216 433583 573076 568846 501700 437322 574812 429544 591584 507228 410251 670810 764555 520374 634669 553961 617859 590146 645726 581062 559191 425752 791990 416402 569023 388760 376339 394981 414724 411644 560499 427832 475422 495459 498845 559142 468655 551957 498034 499712 211766 254491 189151 206347 299561 252655 260178 258588 270735 291032 260277 261406 266062 244000 288900 255444 255353 307194 283531 197914 288240 371949 280373 252163 233522 304852 229608 222594 291769 238104 273454 262712 270540 231175 255294 244647 237240 282755 282736 216126 238752 209384 240804 260866 226818 263312 263490 192678 DL-Phenylalanine 408585888 367395008 427635296 320179872 331765440 331160416 425921280 383900032 425947680 475102624 484488000 370757152 453817216 452443360 319038976 402401472 447531008 447736448 292981120 416159584 326504512 377914400 355600256 354546048 440017632 441239456 436256960 515483360 323327264 356156224 372011840 326378208 291751296 342176544 415166944 352956992 427211456 462169536 312055712 481434624 362609728 374536544 369558848 384161248 435987584 472561888 327126784 458517728 343355744 315946592 373086976 339589952 482754752 280707296 459632800 347278720 425173952 408675264 382717344 407396864 467986592 373870080 341063296 334604352 462088224 378753216 474716896 472531424 349494144 424590112 456585120 378833952 438512640 399636800 411678848 350222752 386536640 290700992 502977472 460242784 538284032 449964128 522257216 604586752 548347328 534260448 611484352 541931712 510810816 534008256 439343840 560997312 565571584 643085248 953567360 538803712 543332160 476105376 586277696 537379200 568677056 528757664 613670400 590229632 571700032 821337920 718436736 753292416 587935232 793206272 597729664 870040832 884753984 783840704 784814080 1011517568 928398784 974898304 695368448 922979584 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385750 1132664 276973 687997 347623 415272 363828 1087141 949826 932076 597284 396596 833123 391926 382472 254856 394777 413029 695571 1141253 611581 1323935 380440 665380 368731 393353 1350528 1333248 373884 1355002 287090 385630 310233 384641 1221312 366028 378969 399922 733343 272752 387348 377526 861194 411905 415561 392017 1209994 636784 1210951 662171 293812 390347 1208182 332958 409394 675631 732061 1221718 1351987 372404 1852295 1694102 1851636 606791 1775503 2228034 2372746 1034616 2106992 1021027 1727006 958830 1573875 2160428 729176 2567878 3877694 2097438 388619 839210 808298 1948758 911011 377549 2071397 1843664 390159 282788 911550 1447961 248474 99602 103513 111787 11304342 2023680 2066314 6857398 10338291 6101898 314095 9437524 103515 325115 497785 111968 2559393 2200876 5872842 1865554 2226502 2028663 2622381 3001472 1983358 5596938 1721708 2219154 97620 1386504 261401 1237613 81562 126257 93301 122503 1718302 5528495 103183 6681718 2230028 2147352 1918966 1864204 304899 311061 1653758 297523 1179928 1057306 1064048 1998704 1909048 2170867 3291040 3676234 3444454 664161 810213 678317 309848 292970 285421 3273036 3190977 3052409 2125908 375640 345273 3180021 3368124 3390419 591413 548873 1487791 3285904 3454540 3338285 2110962 2206750 2041783 3861282 3957297 3601748 3982933 4360912 4342682 3160368 3374494 3101114 3194356 3121889 1491620 Carnosine 148242 60047 1921332 48188 169413 90671 66107 1825037 1801259 1467058 1668561 1347771 2961152 66065 59633 2022499 2992245 3095407 59344 2658078 57952 937413 74161 89661 877095 2863057 2952746 2929644 70456 54712 3032804 94636 91937 70937 982457 40341 1321240 3350416 68675 3192382 62760 108416 1250342 100646 2824151 3309425 66071 2759481 52589 68233 73712 40339 3374775 73671 210253 79717 1946195 55324 69759 1474977 3756492 77871 117898 77707 2773371 1681744 3188190 2463579 55443 1882663 2701879 105046 1944721 95179 1815885 3205645 2488705 69054 3082656 3039339 2458011 2542664 2014258 3042980 2897275 2417600 1635448 2310267 2645801 2793956 2881582 2322162 2698317 2761941 3481216 3146356 1136075 3101603 2603191 2343118 2585079 1160477 1774381 1361366 1219741 5465884 248628 36545436 6771985 5403054 11527280 3820866 67577872 42770028 44294424 46532152 66002152 43295268 7964917 62857976 4295441 6463425 4334680 3870599 55501108 44919700 42679768 5095642 45108800 7496734 59745704 61231252 43839296 41613056 6547683 7974521 6142186 200245 8480753 203345 4034561 6202186 11141007 3625684 34797712 39517264 11513493 41418664 46632860 41231980 6561108 7038531 6153664 4436212 4253765 4266437 3392008 3239022 3263295 173731 184503 168527 10637143 11793439 10743356 2478032 2153246 2302441 3623530 3639078 3366734 11916189 11972954 11279516 4697502 4211878 3876375 2258332 2153519 2060442 3700438 3736332 3583772 11602322 12212518 11917300 3640390 3631347 3895340 15039433 15630474 13086530 10782335 10630169 10220828 11061077 11566184 11413877 9983755 9534155 9893954 His-Gln 2062589 479454 4350077 455798 2542058 692509 753230 3694370 3703871 3974374 3425402 4458386 5521887 715905 490932 3696347 4951636 5838874 531434 5976642 487373 4250840 591534 701110 3999212 5216952 6415220 4852803 479834 699404 5457233 797079 613352 467570 4046430 533438 4742070 5802934 497665 5900584 583832 969452 4208632 774469 6055248 6562533 544198 5945060 422990 512257 678823 623361 5685595 503152 2951816 601124 4347044 585605 647792 4436106 5135916 594866 1049390 532388 5760726 4834495 6067952 6262618 490889 4036290 5685488 983121 4398270 917766 3940404 5805270 6078740 509703 6064748 5933555 5396224 6009020 4541924 6764856 5803800 6989942 5235436 7538500 6817216 6009194 6358358 4877715 6248542 6509319 7254618 5887436 4473670 6660859 6426025 5504248 6332574 4868958 4112556 5617330 5044694 6836272 4587559 10641387 8583427 8959546 13164562 834800 23023096 13023801 13077518 8681927 23553344 8687058 9880832 22802072 10622359 8345538 10021509 821248 16137344 13128901 10598386 6112924 13708992 5044186 16337897 16097833 12609351 10234950 6987870 5222938 10325198 5443499 10229497 5304840 10461406 10947688 13352979 871547 11117248 10405470 13009570 8715219 12930276 13557630 6896536 5251233 8478588 11048534 10124331 10413863 13526527 12969937 13324038 746511 743063 710670 17255010 19722940 16730102 931886 906839 930832 16864428 15305791 14625009 19437626 18164218 18192646 16354298 14612182 14497603 613198 595025 562890 15339818 14439678 13442519 18444336 19826474 19513136 4959648 4684130 4518665 19541932 20165348 18641462 20007216 19130152 20810738 18083736 18098828 19607886 18451494 17370536 19370284 Creatine 1053132 1944578 668697 1455058 1004680 1085368 2271782 736477 772296 617750 812801 788537 580925 2260970 1537537 771843 554362 574056 1741978 555569 1729456 737193 1250592 1191150 826779 567438 644468 632264 1611503 2318436 623213 1182882 1204340 1969342 773456 1809795 866772 628571 1685780 661601 1952593 936018 838505 1216610 548978 516956 1537705 610811 2394980 1615490 1994873 1502314 557272 1397730 1038294 1403297 926628 2251395 2673362 816779 732859 1410212 1369666 1383646 617623 817747 695860 574349 1818753 779930 645605 2183995 738976 1206598 694792 655364 649793 1537567 494036 627850 517100 666326 665148 479814 411204 576422 753849 557170 537744 644515 579838 455402 656790 587145 648838 575325 649025 543587 640785 520711 494051 727917 581862 452436 795356 658303 650760 578674 598214 722336 711018 588299 460662 475644 439768 691467 512874 754594 484490 468112 691768 663890 694449 609870 446157 582519 594600 651360 460810 930258 452388 462273 540196 675372 618254 932043 654917 562395 536058 654517 703692 556423 629616 661628 606670 760146 682928 670231 460146 467773 685827 1051964 666140 1647717 1681903 1534684 1678800 1419125 1589582 1770925 1626220 1706070 1092630 1100475 1124018 1746119 1496385 1713795 1483425 1473160 1465742 1478123 1225939 1310218 1617791 1581555 1441841 1672265 1515109 1574809 1504732 1623557 1768953 1339408 1608805 1507166 1390311 1413377 1241550 1274106 1218890 1166520 933521 961971 887033 1160640 1455050 1424904 1445601 1453011 1288519 N-Methyl-L-proline 1122240 5705148 1170808 1909971 1015924 1257847 8477351 1109366 836024 1063891 1104336 1042452 1045657 6411276 1759503 1039565 936401 991140 1634043 995999 1991910 1084515 1292766 1521892 928568 1006377 904902 1032714 1743586 6570256 1148237 1443102 1433483 1862278 1359945 3005636 1150039 844571 1590683 954290 6152792 1402119 1184482 1514164 1078410 1051030 1377012 959250 2919940 1665750 7768078 1715943 996522 1586721 1130183 1711285 1002312 6880850 6934364 1257756 1220199 1533860 1402498 1241756 1074336 1075188 1088967 1029292 3021774 1369235 1026421 8815573 990411 1467691 1322616 929537 1097490 1657545 1213910 1119231 1140086 1915310 1507414 1460387 1272908 2069896 1283763 1767953 1314409 1938866 1306320 1470704 2322974 1522418 2266390 1357915 2061519 1069643 1831236 1295178 1468140 1549226 1106288 1182044 1690718 1319381 1889695 1593712 1268936 1829144 545921 953290 1306326 2575502 2453164 3396026 3322260 3679635 3237792 2720114 2667305 2304032 2406880 2082004 1696222 1614157 2881658 3100386 2317608 3812790 3403854 1705611 1449104 2638575 2948685 2559322 3213586 2486557 2570752 1933386 2640729 1647651 2073030 2073428 1594775 2249444 2820603 2670053 3048744 1309526 2321106 3525686 3167061 3204512 3485049 3296742 3105093 3058400 3744682 3090862 3220481 3134056 3070430 3278092 3322569 4095978 4103417 4170956 3541818 3562424 3712885 2624626 2515928 2588269 3602394 2888085 3403870 2836104 2700568 3270276 3131580 3458984 3424682 3982955 3084088 3403266 4027936 4066790 4059026 3048185 2795589 3368870 3282596 3188505 3157593 2859638 3066950 2835559 2824516 3297849 2846442 His-Lys 118192 68972 207896 73273 52675 48803 60970 578481 363437 197222 678142 165720 2526682 161693 75904 757619 3169291 2803688 145699 3003593 168161 49193 132318 49449 44060 2962388 2657427 2377076 146853 52228 2245986 141832 52327 131655 63128 54439 89694 2925089 165975 3524601 184843 56654 97929 63236 3142279 3410824 184502 3073637 180778 51813 58150 72460 3353728 183500 62285 131582 288879 68304 52900 187150 2284804 146459 56126 51908 3057044 281798 3293348 2875476 171001 319954 2918554 166792 322808 77395 370641 3072466 3220804 136332 3260599 3455154 2661274 1044370 2092916 2623758 2845737 978721 2460934 1167656 3235755 1063402 2952119 2789116 1118849 2594186 2860682 2978801 796352 2999258 1283228 2932100 3057680 791710 3032620 2883925 690420 3856354 6900246 7178104 1471899 5554584 2891764 9262832 19009078 10990868 10919129 5818078 19590598 5890008 2043736 18587912 2439501 4851849 2435980 8862253 4935851 11613899 13508272 10220135 10985260 7469958 5180208 5162814 11442529 13260501 10166982 7747659 6281502 10229203 2152958 9779751 2379290 6080626 2981899 9366327 9357568 13229892 3171007 6265100 11607977 10729134 10508271 7533199 5054698 1492114 1342867 1421232 3110563 2992368 2970211 7670122 7775868 8032921 8512031 9060218 7081042 6568102 5987652 5919512 5669758 5292306 4762036 9326474 9850878 8774148 1983229 1489978 1351483 5848008 5967400 5185514 6951106 7117134 6279094 7400440 9337877 8955115 2659086 2561326 2440632 4989328 5553306 5035393 7454759 7535555 7497727 9095426 8671404 9841783 9713884 8990324 9263766 tryptophan ethyl ester 25632 26397 28828 40127 43595 36938 32148 26904 37524 37857 36374 38478 41568 36345 33917 31034 24281 29945 46890 35954 28124 38316 31350 34730 34582 33879 33690 41863 35298 40825 39471 21824 33885 36532 42055 40294 25096 34242 33317 37824 28571 33595 40882 41024 30978 41353 36413 19224 39449 36080 44751 32245 34682 37674 38303 29667 39245 38657 41411 31800 51149 30677 24194 33373 37299 35641 20924 38031 26149 45928 26321 38838 35942 41753 39655 32564 36355 37809 25929 33329 28721 25438 41277 39081 41692 24997 27983 51242 26278 40950 22209 29663 34466 43061 39890 27182 39807 37377 38104 43392 31998 25390 34981 37736 41906 81357 33314 21900 42109 21372 57433 59068 115802 53127 55398 103540 112230 88580 79018 119151 60013 62873 58336 56811 64656 110934 102665 56787 45281 85513 62323 58750 90274 82974 76983 74890 52742 44447 76933 66831 57355 58401 53443 60919 42100 88990 60930 86092 95090 69675 85109 61304 51661 62366 59087 56927 60469 52789 55067 59641 57583 47594 54394 55783 50823 50438 53738 52336 41482 48232 27564 51202 58884 55140 80119 45495 55734 55439 55111 59449 52741 53370 61536 54078 47974 54282 52037 64440 57052 64594 59218 53073 57410 50275 59755 54241 51065 56157 46587 55361 54753 Arg-Val 1687914 304704 14774683 298580 1843812 457890 307217 21409874 16270651 9025637 19860406 6762874 28980202 386866 281066 17785188 37624968 37437040 299279 32743872 286546 4393925 442236 929791 4383686 33151406 30892182 29261806 407887 368669 24230942 879837 554738 276110 4584354 221622 5522500 37938164 372589 35196452 311973 984818 6942609 952551 37483636 40091940 380992 39272036 303498 479937 345802 361526 30652206 555345 1882981 592752 14615892 302376 359601 8739616 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3520862 3550812 2155232 2319700 2228200 72882160 74241728 73670720 120400272 119293792 121280264 8121549 7382706 6721918 4796558 2240713 2173853 82108232 82142312 78975024 107145608 102794480 110547552 109058560 106985176 104133792 D-Asparagine 1108718 613402 1105687 803498 1034227 870254 708524 2248893 2441828 1041896 2244694 980787 56825696 601875 761035 3043097 65255144 64128844 802866 57196236 651292 1044458 999264 972009 1139573 59870952 57056932 37092052 851013 772284 29510432 974679 928299 714365 1122204 703227 1069156 61889936 859474 64984320 678284 1135100 1183616 965097 66164528 70764504 840495 62879528 692295 874058 757515 727932 74553616 872528 960690 959799 1165509 634971 730800 984648 38374724 869786 984183 729330 62264264 1066388 54213172 60383592 682569 1535600 60964468 816177 936729 1127572 1555641 67133296 68067592 856147 70481352 75227352 2986384 1239161 2080158 63594688 2446258 1263492 3081642 1182502 67433488 1035431 51336096 2096577 1256356 81275208 2836428 63321200 1094164 49959968 1326095 2806858 56121244 958177 2991183 2319488 1042499 53075040 52946068 101129024 136936624 1940269 2140454 2317375 69156328 143542944 145074768 145924528 65571500 138905056 166438032 71879528 2911024 70077880 2819804 2623428 161401008 160721376 5998533 162541200 169456608 4089532 158064976 166983328 159995744 5838418 166577744 4311711 2622372 76853320 170654080 69289880 3054114 2581619 2296624 2664493 122903240 6184406 2275650 146218720 155321872 152805024 173151968 3726750 66627304 318763360 304790976 317587712 6180211 5859580 5822046 65872164 66968592 67108448 117146480 114844008 113970552 290967264 316607680 318125728 181613040 184558544 174390608 268167792 280792384 294306976 467815360 332398048 311838496 319015520 304017152 310478784 299527808 334803776 320536736 307082048 276649664 300123488 6958600 6921006 7128092 295647904 315735904 298319872 305891008 284742752 306736736 257185616 292352224 268045088 266479904 271759840 280855232 Creatinine 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3322728 3418669 368014 297056 272255 3560641 3532047 3538443 3415138 3346538 3160708 3256486 3190603 3155186 3145013 3272070 3102737 3255114 3227332 3286126 4494084 3758028 3444644 324057 310865 346844 3401352 3353149 3379019 3297314 3543632 3445228 4866948 4535664 4472426 3472013 3544048 3230065 3723458 3632565 3466114 3208101 3428605 3538380 3340878 3294650 3063695 Phe-Gly 2060431 252102 3704539 181097 2152418 222382 408146 953120 3753443 3500359 4459494 3227692 2666212 351231 229448 871536 3293244 3147832 227859 2772142 206462 2832630 262945 209601 2827563 3107291 3129908 2290758 207692 267726 2128548 663205 245391 205019 590441 214143 3636624 3683261 199846 3181583 200579 251711 3094533 235230 3699259 3161089 179717 3317807 187874 216368 276223 222359 3209326 165375 2261281 204445 4016984 236772 251985 3735813 2028376 228719 1001122 192486 2852822 3590962 2969425 3358120 199443 858854 3130926 433974 3444275 967217 4132588 3084337 3807795 253211 2955380 2908591 2673988 822691 755439 2697835 1932374 972277 1875035 1156812 2727639 1140135 2683888 1342851 729703 2518447 2950168 2522055 5074958 2335076 1037007 2500598 2594856 4331721 1834876 1656176 4661974 16672478 16700928 16657478 15602027 3698439 11741633 4348656 46565276 25315396 24664874 31000828 42086344 29280744 20488032 41478388 6703264 19641320 5975856 4424078 29155422 30651938 30327924 6699868 28899896 1902925 28606580 29119568 28930332 28376120 8429770 2312891 5622620 26304568 22911920 25637584 6528605 5507520 11943631 4431239 19594960 29727346 11628090 31716380 27365368 28943576 9023300 1907870 18488430 4584136 23632502 4573680 19505294 19514988 21549498 13889204 11988731 13724673 13060678 13881569 13169848 381606 411299 370788 9872662 10042503 9933539 14349937 15335658 14414656 12409904 9878270 8731410 7172554 7436791 7496500 21127690 22323950 22119406 14302499 15128513 13876075 939371 927429 862506 16219475 14100276 14648362 8247009 9473572 8317706 14540641 16273611 15718604 14973341 15468119 14637556 2,6-Diaminopimelic acid 31299 37443 31687 35160 26154 35255 35312 30979 29568 34044 31204 30451 31655 49361 43856 30793 22002 27070 36990 28700 44048 40543 52328 38998 36572 27541 25299 33705 42343 47948 34645 41090 37774 38800 26453 37122 34914 27737 39482 34778 39970 34234 35976 31344 27232 27653 43920 32839 38286 36667 43416 39419 27556 25602 36917 41499 35230 36774 45618 35808 38662 41157 36429 44509 35977 25805 21939 26064 43080 31225 25678 56160 28574 36184 37408 23959 28813 37691 108481 78300 87282 182620 52946 150082 149887 195301 203496 238507 105364 210066 74845 108509 187268 164108 163254 117339 40540 67109 209080 88026 69029 41292 154773 192759 33009 77112 84303 77832 96636 89427 1113455 112322 648004 106761 102288 422642 615244 441582 138750 610143 119350 107963 113176 129819 102621 113783 207948 353767 122686 241708 96496 107984 118368 191373 131389 237710 102384 144581 96057 97708 123162 105995 1019769 124959 112044 201648 963886 412456 123912 109374 310922 224759 115362 70857 81891 164084 66772 64141 146366 249605 259773 284925 80495 94766 93262 364422 348287 386673 212506 68030 173723 80810 61657 75454 94579 80074 171387 178549 35793 157417 79974 84573 89119 69387 351282 397049 154166 146145 150390 91428 84020 164219 239415 240994 238908 81370 78980 73503 62889 64291 76543 3-Indolepropionic acid 110288 114356 107479 102986 89392 89214 119435 118755 101900 111264 83539 94282 123337 107152 66933 114119 128403 116763 119378 125493 114483 109354 120591 105944 118518 152948 133194 149870 103992 128043 138186 109672 106554 120798 125493 112135 114571 143220 129842 122926 117331 139699 123565 136558 118542 139021 110996 134197 93782 129660 136058 120435 204548 110439 106128 138505 144269 126814 132689 148180 146586 114593 112932 123718 121088 144169 150902 159863 147939 139578 109448 146140 117314 134334 142433 151420 156005 131854 135727 183772 188585 129779 250498 144806 213047 115570 140961 118092 177092 87058 140200 258376 124570 194332 432655 173588 133584 118618 131802 179576 110773 146774 131112 146600 152641 329536 149440 148190 160913 116681 221154 270249 234883 224571 245739 274270 213140 270046 238658 220694 211224 225832 253858 249698 236759 211503 237628 219262 256109 245418 216999 240138 206201 207567 229836 239622 205509 284253 254631 215993 202160 205098 176487 217629 154160 236708 196685 227691 205439 205748 243235 176557 193636 227247 255358 248508 176624 216115 166745 169631 148679 179032 177240 171301 187937 196792 179959 181642 284438 259423 235988 187352 153628 154050 358874 271446 277455 191302 173841 224081 235736 253498 253212 158123 180431 227356 193655 197106 204526 241965 217656 214658 209502 173979 191142 157819 182744 189784 166236 180056 157988 3-Hydroxypyridine 8451709 9193042 7438160 8637096 7902946 8034316 5982422 4180783 5606872 4083126 3695478 7282928 4869368 6015916 5453584 5614705 5899116 5805576 6026814 4890130 6209704 6562048 6397828 6648240 6624416 5951246 5174644 7258838 9050997 10193417 7701628 8579369 8395976 8079414 7536478 7917318 8585793 8107940 8972513 7852893 8819012 8640108 8717258 8172884 8103884 7859270 8646359 8472727 8060417 8211917 9047770 8890607 7612627 7129562 8305093 8024618 6942518 8392003 9451590 7314946 8465244 7634255 8438179 6232734 8124650 8479128 7822407 7675797 9236158 9117814 8362947 12307794 9127555 8389032 9395025 9440192 8325458 9000338 10206860 10251614 9951884 11232560 11345852 11533359 11292209 10880053 10558947 10824525 9000425 10819989 11006281 11521650 10690730 11953112 17411936 12569833 11397601 10296855 11172251 10157428 10716275 12035747 9421247 9394956 11028727 13474770 9388346 8432225 13040451 10628452 21046896 21547102 19988486 21323254 19709132 22048550 18842668 18893372 20919702 17935210 20684020 21508422 18997874 23081780 20211410 22748680 20077638 19858578 23500502 20381464 19479640 21303516 19757052 18187878 20972998 22300102 21084586 19366714 20501848 18565192 19034518 20047032 18489518 21556958 11452156 18185490 18790402 18948998 19150760 20994728 19911978 17827688 18193922 15912116 15837445 16007381 16764160 16783552 16545862 16065882 15620433 16644854 17674848 18177050 16528717 16848050 17106560 17018832 17186298 16665118 16495670 16391990 15940065 16670044 29481438 18520164 16677897 16664063 16333485 16482984 16922088 18030130 16626985 17718728 17731144 17611354 16042138 16467745 16064695 15623251 16695792 16232270 16622205 15971745 16518666 15883415 16085874 17014146 13154876 13424334 13788834 2,2',2''-Nitrilotriethanol 207956 152005 187208 154020 160130 171804 174810 298881 180015 286512 276878 191290 302043 162622 153556 175780 267245 230765 178936 230977 162984 175231 184654 159773 183989 208082 289572 245867 182973 223750 206578 165768 158591 146320 191143 202080 180045 239030 162454 242130 154828 171030 182772 203591 213624 203172 146353 250797 167100 192118 142914 147254 235360 389178 192158 166684 190992 151318 158489 210387 377662 157948 177669 303104 210357 205621 376115 218615 244744 172665 285027 133112 341572 211481 199740 324782 288820 203521 275305 220995 229445 226452 229456 234502 237291 236919 275099 219424 235128 230154 286572 236193 242710 265374 335134 217693 196509 232079 243550 202824 295564 270681 866716 241285 211436 2169656 1882072 1843468 1994502 1894142 2107481 2551325 2570872 2583450 2528335 2941805 2546010 2592788 2645767 2578731 2416980 2414843 2264063 2786332 2423008 2532538 2582428 2610360 2506986 2697672 2500412 2515205 2468450 2564884 2703667 2836704 2390578 2552441 2727374 2506106 2132462 2289504 2113330 2462960 1929480 2583825 2188422 2857652 2651774 2541397 2634053 2347369 2308510 511132 891948 922167 574982 421380 496506 595040 507299 541934 565472 605095 550673 526432 782853 733396 589474 662931 581419 495227 526571 496942 585044 486729 533665 416627 359085 407013 457390 555812 497657 833922 45022936 565287 701595 554071 622851 204369504 638014 537527 546540 559688 646827 671479 531857 503505 492047 545197 543512 7-Keto-8-aminopelargonic acid 42945 23893 27649 26348 44362 48980 25321 36582 24459 28828 29027 34313 14860 30028 40798 27375 19913 17652 16185 20824 39581 26416 43933 24211 30436 20290 17893 24749 38107 41026 15183 43067 38429 38607 32834 28512 16431 13343 59440 20309 40958 51309 33850 54684 8020 25562 53701 28698 39719 39785 34898 42523 27610 40457 35926 33950 11464 14120 33754 26880 34839 31924 48315 49992 20820 30593 23952 6419 24248 29261 26093 31921 37216 48523 30013 31565 21995 42394 11891 24394 22049 40942 44134 40519 36530 49357 29720 42358 30027 35664 24782 41727 37905 40504 58738 33322 43425 36678 53806 21158 28967 39538 26207 31432 37912 58032 42460 33954 26642 40668 27757 33636 824831 26602 33392 3718027 712612 3496783 37322 779108 39501 17085 39373 44432 26485 25027 700101 28819 21827 792670 31561 24148 27212 694208 27193 845916 63380 19717 20359 30460 34138 64612 39365 42010 28835 687477 13251 3692800 14122 26963 23183 667164 23817 62309 44381 61295 60802 53013 66523 52778 46957 37587 59594 50924 62042 45554 103998 58839 48356 51274 62716 193440 180829 55453 60005 55798 49221 48014 65170 214374 52537 50730 90185 54712 51919 51617 103875 74053 67916 56938 22139 110788 93856 111021 91759 113590 114034 42629 1085265 1092410 1024831 Pro-Thr 5214937 3054501 13280431 1869683 6068775 3108268 4357632 14316856 13594882 11636460 16052572 10827220 14225853 3950117 1870874 15032912 15825921 17103958 2272279 17780488 1928041 9377505 2584258 3929971 8736074 18334692 14063305 16598210 2244363 3492833 16621194 3786094 3179925 2111849 8941041 2104309 10958432 16421886 2546969 15750267 2471608 4153795 10953637 3905791 15633578 16417831 2191024 15051050 1687973 2478393 3553213 2375308 14881567 2671262 5341044 3393283 11000942 2188291 2891232 10951825 15601656 2438306 3842090 2248242 17563448 11342308 16003170 15579075 1886366 13029731 12907988 5397420 10528353 4211748 13900990 17328878 16044996 2217504 19766316 17279324 25086988 12111116 16325740 27621720 35012040 14728415 32919078 16632330 20137442 14967694 17284784 29321352 15358134 27193610 36376528 25343660 1074460 19022400 13949038 26646422 20066062 1101035 25811638 33758520 1013584 43347804 24935326 18914994 29458764 3879798 8207506 1424343 139413280 32176956 27003854 141973536 144632240 144399552 36415204 139361536 5650981 51579980 5721046 1418196 33374392 36957288 75016040 17546882 30667180 49943524 32967944 32332768 34129592 70943720 19332296 54207328 4625375 32715666 34297336 32088952 5360562 4868138 8232456 1609848 25778538 74179792 8743159 147052896 35244120 26394972 20274048 48089268 53788592 70160592 70450352 69677128 4315279 4336518 4531261 67549896 63124468 59310676 71323344 71012208 67834776 4043052 4045184 4042696 84897032 91386616 86745712 56486416 56281580 52534256 81052496 70043848 65096060 3052760 2983138 2873440 64762036 63943932 70216048 67653160 73984672 66335360 56623568 56735628 51044576 62945012 58532636 59943816 86154064 85003800 81785096 61196680 61078124 65800280 64999392 64791716 59094224 7-Methyladenine 3016398 24208 606311 30634 3284962 59596 17852 590813 540977 520892 667968 886356 2416924 7846 23109 696426 3374786 3015205 13512 1736079 21942 1264249 36585 31349 1076978 1780430 2772534 1754298 45342 13992 1927335 39424 41279 35518 1730160 32129 1024750 4630172 38298 4567834 23795 48384 1134697 45058 4845012 5269340 39688 4733688 24933 39442 19698 32806 4445860 45310 3436805 37289 547211 23925 17064 643434 1932557 26955 50894 37709 2550379 787084 4660351 4623786 29248 697445 4003870 39473 610701 42894 632463 4398552 4319101 48057 6418982 5661422 6415990 42958316 12171064 6933499 8544379 2209264 6206068 2216502 6072935 2113128 5197948 9317652 44091052 8585122 21791618 6711588 1962868 5760786 46645216 6132878 5725766 1911774 5837572 7444602 1804457 1319318 827308 2548215 5633386 1585384 13253980 2742243 11013760 4448105 4452850 41298080 10578166 37270112 8982128 10551564 2955786 1071772 2713240 2787818 6623698 8413 37475120 3615728 4975901 48724324 6255547 6655266 12055 35395460 4276930 50301976 3038192 1397827 8535595 1374893 1919298 2721635 12407608 2575718 3199942 32958404 11874223 36973828 8394 4205118 3760928 38996800 897371 28248496 27393460 27106652 1842445 1843594 1716924 4310941 4488443 4621114 12861412 13290462 12111719 12425575 12918030 12649914 11089438 10362121 10578798 11021123 10879839 11129374 37051760 26540290 25280028 8728372 8388266 8324004 22556268 23354112 22516048 3758 40569 29054 89378392 90932248 83217112 12592106 13758407 11947656 18076520 17680950 17620180 12307987 12479401 12327367 11977897 11706394 12098519 Trehalose 0 4801 33635 0 0 0 0 131870 54530 15534 138773 0 2352026 6809 0 143169 2631572 2827690 0 2437105 0 0 0 0 0 2643856 2238361 2217189 0 0 2308918 5726 0 0 0 0 8721 3013964 0 2649533 0 0 7808 0 2600481 2956606 0 2687154 0 0 0 0 3123242 0 0 0 32501 0 0 12062 2126456 0 0 0 2619422 14523 2676400 2586613 0 69726 1938759 0 21690 3924 70641 3143682 2805792 0 2924494 3744107 3864347 17061 3744025 3416598 4008279 0 3190830 0 3369780 17186 3190315 4113280 14730 4535046 8769910 3492787 53465 3361733 18818 3580547 3032710 34137 2498655 3306004 43710 7481 207926 169234 67230 23096 64578 231723 2347840 278527 230817 1193984 136174 1199532 173042 2398533 76795 15041 79766 208621 274269 19009 143535 213594 252982 193992 246752 656985 12605 116692 205315 214798 41494 266832 84226 257956 12468 35353 98981 181520 194359 142070 16701 1114516 23999 215960 188906 202821 27593 369687 366994 335885 280616 203301 292558 16277869 15570227 15365774 15252998 15479292 16621162 18233138 17186638 17470032 117549 158746 225056 17206694 16216348 16121645 529612 368436 371366 16424261 16372450 16808648 383764 425304 373304 184778 167422 147576 15787583 16105749 15761313 14895850 16749909 15489298 15936076 16295100 17275888 16670779 15704608 16152517 16714794 16425202 18487256 Arg-Glu 675696 187491 3082542 182481 541372 149363 193502 3546218 2789480 2589068 3245511 2300363 3686765 225543 181480 3538022 4641705 4620366 187775 4116964 183650 2045278 184837 117119 2357458 3865127 4076291 3095822 179504 212330 3463332 127675 151336 180565 1717296 183804 2627314 3619640 173660 3844761 186843 115705 2407008 132312 4031904 4533306 204147 4137270 213645 167255 199414 189642 3958382 144478 639445 156407 3662469 193712 198624 2957746 3353143 167916 147135 145667 4438903 2709772 4041650 4074710 218332 3057287 3746204 216086 3278976 126020 3729747 3569878 4306400 161534 7518669 6178139 5690377 4910158 4416998 7580509 6496270 8888209 7008289 8469623 7155538 8255947 6398095 5911174 5313434 8796497 6505713 8644367 4415386 4863158 5176885 5184050 5796309 4395026 6801392 6877488 3966408 1895595 1282935 1681426 2698066 2527984 3078632 2903109 16086640 3725550 3603916 3622780 15572453 3756554 2982610 14935405 134970 3171601 213912 2984052 1671337 3896984 6280001 3245556 4159776 5183856 1629196 1628255 3851237 6147812 3450900 5240722 3211306 2977449 3156359 3202662 167127 3236016 3295682 2848348 3185254 5947772 3432822 3872158 3994578 3685559 3388400 4975180 3457864 12686447 11804840 12978149 10675481 10011030 11055591 12994831 12860191 12229532 13657622 13794135 12742520 7711330 7558292 7082032 12025794 11811844 11181464 14201924 13497040 12574510 661447 547678 569344 2650376 2739601 2528810 11317520 11200564 10348541 11801942 13234932 13460552 9777164 9531768 9356285 2364870 2328734 2273059 15518723 15423358 15533298 13476447 12210335 12938673 13075116 12826067 13155761 Met-Phe 87290 32630 78561 42344 106096 120601 46759 62123 64131 86252 52255 93232 514150 40292 80778 43748 523199 509983 51625 443633 39524 68793 113848 114852 100464 401791 495134 238133 89598 24331 255711 167537 115632 51157 104158 43449 107160 663365 115671 683448 37357 141737 98362 148104 638881 620563 95202 686472 23538 117552 35178 80381 683783 118273 115084 125764 67512 24360 29249 68000 237453 114356 143374 127180 482401 96266 643122 601785 32306 58980 557156 53586 74548 144463 67409 583357 604177 58478 715178 840516 1330446 1129747 799868 919023 1738978 1307052 895905 1557309 688013 1434852 685342 1307055 1163827 1003266 3611740 750431 89393 500038 1424915 1166169 562393 86410 734913 812246 114714 426289 7998463 9908207 1346949 3773704 4216418 2224343 9292598 18129064 16790732 6143671 9496656 6000886 2870983 8481183 4441415 521491 4604373 2223122 18125558 15474197 5900373 199041 19296690 1288288 19720078 18848444 14304545 5518666 212430 1400145 5643856 13817130 3019377 12015290 5825804 6156152 3801292 2122817 13024018 5669908 4424896 5742410 15258676 17498124 223585 1181338 505481 74955 76447 63742 228966 188072 220438 862246 823571 909531 2031026 2156746 2176170 15280 23650 26416 72825 88487 71185 1376156 1372883 1412661 181737 143613 126433 47958 51441 54831 203080 208416 193566 994074 983550 1000464 612761 655191 689509 2957042 3107282 3161480 7142702 7451016 7171546 1425069 1531094 1369094 1325379 1315257 1460686 Gln-Thr 269632 63499 37100 13820 152310 216496 135157 186301 17675 56143 32369 75308 17108 120505 58551 28329 72227 60757 24959 63989 29902 140446 142408 343041 95830 65515 11008 32162 94324 112370 34649 281523 229248 13008 138333 30689 68548 66147 78300 92647 32059 312144 87189 237846 63991 54948 109656 90787 12278 163525 89051 45226 71836 136934 180052 280394 44041 64778 69265 61654 32132 200080 302763 137537 51864 44449 67664 85307 43443 53078 13064 143692 53500 308083 16455 76499 84194 92126 2643937 2258751 2319156 690845 987079 4080166 4161630 1331945 2015193 1819090 2942864 1354000 1147705 2455182 860791 3707724 2661993 2920991 23486 731283 868904 1973072 827116 71268 1645106 2451890 16136 1069650 1800318 880807 975207 223791 398390 245694 13038736 1234588 1255326 7790415 13039544 7249694 1347334 11790126 274796 2704978 325105 267137 1487020 1254182 4804932 545544 1250998 3750542 1472738 1578862 1143697 4564671 614575 3887955 419078 2421300 1338915 2443407 304646 340693 1187705 269718 951321 4626448 423023 6487500 1221505 1273463 2015087 3137456 1233248 2986616 2901408 2674736 580459 331733 317374 546340 458758 509096 1431605 1379504 1505076 170973 160187 157630 767275 760695 820226 255509 288692 251615 6190450 4150122 4064812 41727 16796 28291 10111774 10989345 10240753 1695787 182798 195471 2972844 3283049 3092668 2174656 2300405 2370705 10356256 9820759 9694295 550954 590045 559111 332597 360107 357461 Ala-Gln 216796 69907 957320 58943 137503 80813 133928 1007199 1056669 773051 1126428 629433 5069338 109400 75950 1145120 11724108 11308872 58019 7292008 55945 736930 73670 115232 633649 7473188 5626408 2951871 90191 88122 2130310 96394 64624 68511 625750 78864 787254 10568751 59199 11954290 71507 154127 792158 121987 11797607 11137764 84641 11664981 74693 68209 75805 81652 11523391 72220 287187 88801 953353 102872 71334 855931 2854337 114500 164401 66062 7436163 918351 12095573 13270163 62605 1117042 5672644 198784 943011 114134 1066358 12924283 14907637 92174 13330712 13114809 13375755 1272392 9274623 15722803 12634882 2030926 5606215 2699420 12898895 2168186 7161241 10303716 1765114 14957385 16906836 13127776 775120 5934030 1839686 12001163 6378071 837292 4763022 6010713 930217 1686931 64413 8988792 4915778 1918730 3461360 175256 25358880 11415987 12207078 5879968 25752064 5468482 5865752 22964278 1966856 1823567 1919628 202560 13009277 12829879 9431628 394622 12041959 3841675 13076466 13768741 12129810 8689503 683336 3940964 2353317 73379 5828475 81039 2049263 2288627 3653093 175151 8883923 9312587 3753656 5040556 11853886 12201958 628536 3374038 1751750 5984878 5479264 5820793 2410329 2338224 2252989 181628 188933 205855 33023308 32115914 31104256 753992 756874 728529 8696862 8365398 8398798 34193408 33294836 34935476 18372004 15053168 14097732 674967 655388 614690 5956514 6268081 5747557 33823112 33918724 33874372 5844008 5938380 5482948 35082496 36491548 34796980 27666632 27800162 28033846 33472828 34156896 34276676 32290750 32159556 31462204 Glu-His 41133 71893 159489 66961 32164 43148 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198395 202099 183383 548249 537602 564830 299433 281839 295044 982475 979329 878931 626578 591074 576268 195652 170906 170267 969374 954869 903265 391801 329828 298973 417505 417125 393328 188449 183357 170625 816157 968616 971177 1234048 1221268 1275892 1220252 1319968 1205344 1296720 1312723 1239356 966218 892927 962689 919134 878125 961395 Histidine 471688 294390 146756624 461691 347010 242777 339695 142164592 163941952 123685496 162243520 41994472 159773424 509907 310797 169111776 155274320 161880320 511608 154341008 498892 372411 499939 235096 271341 166999744 158809984 181133552 578713 419609 163488080 559643 277438 497005 348145 294849 39564236 166917248 470019 162406272 484456 271274 46897980 332534 166174784 173517840 543941 150356384 463075 285880 436339 289053 164505904 468333 267921 541811 160023520 571525 367175 107049936 155118272 570656 289056 278399 155890336 121213888 167372784 132605864 614925 168716256 153339744 836686 150909408 523235 144460704 172305936 173394928 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1019471 269784 288932 997748 305020 311019 257060 1025834 293133 1028289 6581 286932 246377 259233 76368 0 100125 121201 199783 980966 125625 1672508 303227 242150 270450 925554 251071 762874 724149 753032 29627 31781 23475 671298 686241 700774 771820 757866 694989 552924 565362 563694 781544 741823 737181 741777 728323 698894 1012874 789693 751246 759259 778861 736891 752141 708033 717948 705622 721125 718504 965212 984598 1013269 818874 863748 796249 752419 757105 770033 753599 687263 735135 725638 675090 802722 His-Tyr 903733 82716 1338645 63161 860643 233007 135416 1470594 1462472 1311927 1523402 1325735 2356206 130810 92236 1474519 2591072 2682036 84104 2557319 89980 1161799 168052 330381 1197134 2599397 2532932 2172626 122726 121155 1910615 393302 221076 88408 1083971 65439 1244222 2389736 132997 2589730 88622 541900 1234810 377715 2574588 3047581 146737 2857273 64541 143988 85796 106122 3261484 188995 904084 226188 1430001 81245 88798 1436608 2394438 219591 534800 203833 2825321 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6861442 7573029 6595761 7313534 6870956 6691425 7362054 6640153 Phe-Asp 0 0 0 0 0 0 0 0 0 0 0 0 193684 2000 0 6987 187448 261997 2638 135694 3559 0 0 0 0 157273 229101 0 0 0 0 10606 6838 0 0 0 0 223332 0 255056 0 0 0 7519 224029 295101 0 251597 0 0 3219 0 276820 0 0 0 0 0 0 0 10595 0 0 0 183827 0 209491 270556 0 7857 209499 0 3207 0 0 228587 256521 0 414213 369649 368113 45322 262113 556774 343446 233378 261395 208574 285207 204587 329313 304900 81603 529568 448602 335417 0 256650 77606 318850 388335 0 246159 220424 0 356036 326418 300424 537603 138767 147328 134787 7311824 465800 445045 3022063 7333692 2940937 529980 6577664 143233 355754 14263 164168 525088 1263580 2034142 979800 503361 1035853 449463 521210 1157826 2106966 1004211 1298102 141545 484460 552865 495389 11762 68453 154181 164510 361432 2197530 157164 2779903 1390832 491213 1111650 865333 376501 678300 720727 730116 0 11225 6396 821140 747722 859525 802630 783508 764360 83018 89119 106486 441880 458367 408250 743851 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984894 1171399 1040554 926164 2861018 3210490 3071917 2705002 3630978 2558704 3191120 4217710 4349007 4635840 5329206 5955172 5435776 5044502 5996028 4363696 4135564 4066332 4273479 3900148 3356401 4727801 4804456 4668996 5510260 5243940 3786987 3300537 4698458 4676691 5201893 4891140 4182505 4270860 4541683 4367527 3222335 3772898 4282802 3068420 4321318 4579212 4632088 4704411 3421065 4002775 5175249 4517753 6978160 7711383 7003288 6456802 6549941 7231458 6658554 6236368 6427529 8079012 8179614 8770563 7890882 7678934 7529360 7095774 7209698 7299273 8477330 8721744 8912697 8076392 7040912 7466220 8628740 8666877 9360536 6743600 7300047 7136913 7579664 7395052 6876239 9279455 9613643 9441011 8589708 8147614 9055257 8214394 8527578 7806703 8007774 8250864 8298500 7797912 7891398 7551403 Glucose-1-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5028 4341 0 5296 0 6081 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21017 14080 4482 0 11217 48706 14783 0 14469 0 20756 0 22220 15692 0 60487 46462 40738 0 5986 0 6446 7250 0 30238 33072 0 76718 407643 175454 0 31962 7879 209709 2390088 7874 282828 611010 2617038 697120 0 2914110 48423 115490 28031 253645 24957 0 83708 500263 0 241875 12780 14649 0 86635 127401 243920 38335 1046184 0 1064725 7996 45975 21708 311301 0 91686 0 733405 0 283843 368637 237962 123637 12317 0 0 0 0 0 8176 18900 61902 0 9222 0 0 11145 0 32856 45916 6932 0 0 0 16668 29066 10603 32777 24725 8800 45246 36530 34564 0 0 0 7127 15407 7046 0 0 0 113834 114423 102429 0 0 0 9114 7994 0 Leu-Gly-Leu 246597 55032 325538 51714 253256 136956 40553 436930 336403 358714 322657 384550 393306 30546 88670 467286 397955 440256 75176 376413 56617 322550 117075 204711 283794 471776 388789 444843 105689 33094 438064 216433 139820 70308 280642 50702 306831 515158 143907 448354 50239 201456 306926 202181 494336 504752 89651 357817 51912 126431 41409 72384 376828 138901 258719 191091 427806 36261 27299 420762 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8961533 27637232 28750110 29592848 1660833 1584976 1666109 31888850 29934318 27210318 89799200 92003008 86659728 2612913 2649852 2602869 21026748 21506320 21669092 85391552 82334472 80546992 57173868 49529448 45449240 876705 983941 924394 19923148 19924210 20823444 89064776 99910040 92090024 22603124 21419808 20103546 92117680 87942152 88058056 77437144 78079296 75380968 84973496 82578408 91335392 85641648 87311536 79891088 Dimethyl sulfoxide 0 0 8423 0 0 0 0 0 0 0 0 0 42151 0 0 0 5002 12092 0 4726 0 4986 0 5175 0 4703 48816 0 0 0 0 0 0 0 0 0 0 3945 0 0 0 0 8326 4987 5400 8536 0 8636 0 0 5652 0 0 0 0 0 0 0 0 0 0 0 0 0 5528 5962 9192 4667 0 0 63165 0 7318 0 0 8226 4202 0 14800 33643 29106 10954 22434 26229 23212 14443 81192 4010 20818 16411 91971 26637 6550 25033 42070 24774 0 97400 6082 39536 107465 0 100618 99160 0 131459 118150 101768 96824 0 0 0 124757 114335 143169 149640 118616 129340 134691 141833 0 181446 0 0 109662 124091 122564 127816 148256 97290 143340 143769 143159 117583 135916 117469 0 130939 125202 121691 0 0 6653 0 118665 131115 0 128698 130926 137826 192351 112128 127275 20283 33778 25217 0 0 5273 21248 10387 7072 13158 6560 27205 15779 16902 8094 25244 16980 30072 17336 27688 8078 34254 21396 29848 31073 27720 30113 5885 20614 36284 28068 116653 32695 6993 18557 26832 378232 7142 24323 18620 7132 33320 25246 12084 26766 17922 27498 22241 Val-Arg 119220 39275 72781 79575 132096 114041 61591 68876 353464 9025637 93134 158298 18257784 62199 131522 102086 21191330 16795878 112769 15205529 94953 172007 127092 152012 180430 17973404 18353846 9419886 103962 71444 7817188 115987 114402 70359 166566 58836 161382 18128224 130112 18829574 66963 158134 181203 140866 25374334 22884680 112763 20844204 72504 124728 61385 110770 23611660 131099 163121 135680 98266 71108 79603 74671 7897118 125891 150230 108984 17529358 190872 24064722 24954440 71578 14737767 17491832 77242 243596 178549 18074550 23251556 23737946 123650 15667700 17789960 15055611 4462434 8958744 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99655208 100017632 His-Ile 11519964 1430883 22703096 779491 12567924 2977658 2772179 19823734 22234238 20115614 20436642 21053714 43840016 2531794 1314864 19073154 48660376 56689868 1011486 50241292 1016242 18917812 2021372 4392810 19029024 52298800 50119740 36354488 1720447 1747922 36947040 4000568 2761273 1056610 18683564 1040957 20492140 53312436 1704323 56181816 1370522 6143243 20013780 4545180 51268672 45975364 1644650 45499976 931963 2025192 1793040 1478190 53882900 2516921 14004889 3183842 22985718 1283773 1810705 22565496 38814648 2406222 5301648 2178194 50975080 21965300 47017716 42673280 998149 20672032 43482616 3585619 18995264 5912130 24052688 56081176 58403000 1548988 45413892 44132084 50507164 12892727 33579648 41541672 39745856 17511702 43782240 19143982 39221496 16532082 45854944 36131820 13462429 36297692 44701780 43467840 19294190 55703664 13933879 50117768 57236336 19499544 45599744 39075416 17413124 8457678 59948920 53926676 39116412 28778450 32983988 19456534 83932152 77142976 65084192 32885104 85184248 32576708 46106124 87876992 27542886 10662868 27068146 23424920 63962592 79413448 63517564 3180942 75287376 26786152 63668068 64879876 80409288 64999940 5100368 27046922 34632324 80063864 48441124 75910072 30390098 34206304 33109302 21512472 65529348 64909192 33608260 34139644 80883864 70803736 5011727 26744920 11125164 101761912 102287040 100827696 55526032 54059284 55885536 232155152 248169344 239502496 230713728 225332352 195209024 2231581 2185499 2250940 106332496 101806760 100935184 232272880 236112464 234651888 184954592 162822928 157925440 2652355 2569193 2417534 169894976 177093456 165376960 248082608 270271072 269062560 39107124 37389692 34355632 215611744 205674560 202607856 162074128 162975392 165237280 228101472 243264864 230512848 252275472 250046400 245028336 Gly-Glu 1169968 1496696 1499193 1137777 1371125 857308 1688860 1440834 1348511 1318594 1247622 1406698 1399519 2014737 931101 1204998 1750737 1864425 1046971 1536260 1143172 1336025 1270411 1314732 1479024 1720583 1705635 1701538 1179715 1685562 1429015 1219728 1109568 1090381 1416489 921976 1142060 1980176 1056778 1869049 1280715 1181295 1382647 1172544 1918117 2074142 1157038 1861520 1292547 1223777 1532720 1286439 1456194 1157678 1212303 1071847 1424227 1348720 1517550 1288069 1262242 1228494 1184760 982164 1750008 1252543 1857459 1634934 1175493 1190464 1514196 2498658 1473370 1353135 1508077 1818007 1873251 1197995 2432114 2291334 2762484 2210892 2300508 3497250 3958558 4175705 2993778 5231050 2554404 3905260 2475641 3634853 2540288 5062890 5923820 3657280 1779264 2455030 2201980 2798702 2582188 2046861 3543218 3780144 1985357 3569548 1649263 2457936 3888048 3247162 3755628 3840146 28706716 4646344 4521398 9018254 28693998 8347030 4743336 28189592 3845696 4827625 3814850 3877632 5372042 5220924 7641086 4725028 5204148 7186740 5274015 5650462 5134280 7493514 4906637 7428082 4317360 2972041 4870104 3173298 4013222 4323244 3594162 4108394 3447724 7319534 3455729 9555428 5178816 5080734 5116888 6478504 4458102 5314320 5053803 5022172 4493959 4514940 4452665 4391580 4259694 4488185 6033736 6327676 5918886 4168902 4127990 4267457 4704799 4573348 4671807 5599367 5670630 5733374 8134210 6163814 5339502 1808603 2002783 1830841 5633594 5445032 5076614 6040999 6127554 6284619 4963855 4861782 4742036 7118918 6792314 6759984 9358656 9299167 8611630 5608327 5710418 5950750 5763384 5212314 5694800 Phe-Val 210516 118120 493726 64146 213194 144018 179273 576640 495205 408121 597226 347690 2251588 154920 103472 612670 2675876 2396143 98137 1957700 79234 280324 199563 125309 261635 2321755 2665002 1506114 158934 129551 1751771 156002 133840 82764 426002 69050 359485 3383561 172358 3319953 119945 163549 412117 178207 2815200 3047477 124317 3089396 75696 172511 113336 119406 2756106 128683 191942 165112 407594 93473 97915 434200 1463052 148289 158067 136560 2950954 430524 2683602 3013278 94168 481608 2526808 233450 517098 174784 522467 2449663 3583690 117237 3534020 2996310 3455073 1766434 2131126 3442683 3028412 1934322 2462536 2193327 3523252 2465973 3746311 2924578 1974720 4013634 7177073 3694389 122692 2935524 2317092 3384614 2734799 131352 2476226 2565572 178542 969158 1002680 1510148 1034160 654641 1537999 267180 11386780 3325731 2328528 3865130 10634461 3519092 1467794 10520593 595814 1050679 599923 300073 3009928 2769704 5020986 169909 3614507 1016678 3091665 3240644 2448009 4511816 226341 1122883 931628 1647874 1567666 1420045 802038 822017 1431189 298977 2383156 4881692 1546714 3815542 2785112 2244176 227318 961690 900565 1910429 1840827 1848418 1024238 1018599 1017128 2806923 3034356 2923938 9517259 10210652 9709409 150260 160618 164364 463402 438619 475822 7791792 7818832 7874262 4332972 2933306 2961552 497984 510553 554230 3270202 3570400 3250564 3319394 3030843 3045694 1569034 1546851 1598771 8711720 9208784 8596688 10975216 10763438 11143755 9761511 10318584 10315434 9827756 9713889 9888102 Cytidine 5'-monophosphate 5488 0 86598 0 0 0 0 219542 145529 35339 238848 9326 694486 0 0 202162 741712 803187 3635 741785 4912 0 0 0 0 684363 764464 446135 0 0 333591 0 0 5576 0 0 0 796911 4602 918397 5440 0 7814 0 951659 844389 12839 868818 0 0 0 0 849324 5344 0 0 96574 0 0 38672 360694 0 0 0 817788 7994 776144 737513 0 163226 799423 0 95369 0 159897 864448 921394 0 977590 924016 1058608 0 863826 967680 907515 0 626984 0 969539 0 634772 840002 12912 1204825 1838275 1000634 0 556065 0 1041230 567306 0 561008 536064 0 625316 581801 477744 754455 0 0 38136 338532 893448 894027 290335 328721 268335 999126 351157 10370 1037904 0 29914 949520 1060777 1938993 1077865 1072566 57869 1071544 1073060 1038883 1776002 1199722 53516 0 1213520 1026867 1162801 0 0 0 43960 707444 1839679 0 315034 1031571 962466 1157682 52037 1042777 1483558 1334467 1506173 12562 0 6790 2116910 2212072 2210123 1390554 1537205 1224717 1683236 1606981 1540270 1459286 1347513 1345472 1447420 1499501 1532640 2139818 1459410 1348105 1628437 1508086 1322423 1475384 1583555 1322326 1448305 1882708 1934396 864091 881115 844196 1521659 1634628 1431668 1185297 1208104 1199637 1516701 1417528 1496337 1412842 1293174 1480882 Asn-Glu 1274857 214842 1534620 169865 1003431 382901 239708 1499013 1449133 1351451 1290556 1370160 1347506 265773 207948 1465016 1289827 1525784 193731 1393099 211969 1151106 238611 639934 1397055 1394148 1453252 1606708 203838 241884 1483695 588114 403201 158591 1331569 202730 1513457 1498242 241399 1601128 212780 691491 1321758 580392 1633552 1433118 235267 1493128 183780 222851 341523 223992 1506537 298012 1297567 421002 1427725 233993 257087 1394134 1775496 294642 681074 267950 1499626 1413045 1436583 1316618 225996 1264656 1585750 369716 1108960 756654 1598537 1265287 1327131 238288 2584129 1984974 2453200 1254581 1642264 2872754 2485860 2197216 2411038 2046100 2422628 2085350 2391666 2129183 1380718 3116070 3701230 2368434 1662265 2303812 1483931 1930217 2184167 1701936 2350133 2375068 1904289 1372274 470854 1143398 1576063 1312303 1399316 1826565 12105097 1837696 1835496 3915480 12337412 3552593 1929335 11605740 1439573 1834834 1393012 1707292 1902145 1965619 3419824 1784675 1923921 1972884 1826655 1954725 1924490 3311418 1856946 2384220 1688641 701852 1886307 746487 1462775 1727800 1309844 1771458 1383119 3420227 1282896 3697618 1856943 1799124 1956329 1919251 1831048 4608713 4296178 4752156 3787001 3529385 2869372 2997374 3228821 3105722 4249867 4695789 3902229 1815040 1603358 1665583 4002680 3336204 3239543 4305020 4404106 4614278 7398050 5309594 4655324 4292820 4048536 3580803 4345714 3867306 3840371 4340094 5340284 4947632 3315268 3384775 3081036 4805888 5454628 4946277 5254882 4740112 5235118 4685611 4592368 4505827 4627946 4155037 4448839 Gly-Lys 169032 199339 2011259 199323 145665 131868 219092 2055120 2042988 1848064 2302146 1382612 9107018 228692 176383 2366387 9484710 11374072 204918 10190422 202492 453519 167094 138129 452782 9289093 7993528 8139016 174000 171274 8021384 174928 157652 223785 551857 138485 1427609 10354695 188721 10773582 216759 160887 1549585 163202 9325453 10529724 184750 9914486 193340 161171 221608 151687 10258316 191099 197897 177408 2330537 188463 199828 1867756 7536954 191239 164510 146099 10150174 2341435 9706738 10372385 227223 2265644 9098613 317818 2364600 169248 2145442 10440090 10893681 220853 11257542 10175122 11752229 13043349 10574107 12310629 14087126 8675134 12776802 9156254 10502267 9013141 10231244 13888465 14351810 12385589 17778402 12493902 3961882 9712763 14629345 11800884 11155448 3780686 12912892 13630115 4402681 13675242 9747729 10040885 7898662 12075844 17764282 15635594 95954584 20027978 18952112 41843508 95142464 41206872 9662808 93029472 11822970 18412048 11552878 17052674 9950756 20904988 56890464 16066470 20888216 30618652 9547216 9470989 20192698 54081412 17886660 30420296 13494068 18356898 9176290 18733206 11349928 13770205 17930000 16801400 16238811 57524964 18113030 41940352 20279974 19663654 17706522 29722422 17895086 7317352 6812954 7123506 12388180 12103371 11558983 26224020 27679558 27641754 31844640 33579368 27946030 24477692 22732356 22156128 27265848 25215656 23529320 33097402 33239452 32199088 11520213 10323643 8831352 14011993 13752238 12028377 29256734 29166254 27303712 29218508 33892352 32758524 25827530 24877098 23961474 20604798 22641044 20443374 28031780 28730766 28971552 31059810 30921922 32606336 31473082 30356064 32415812 Cystathionine 1234828 1642857 923054 1439033 1219095 1360056 1560066 806795 796648 943864 794643 1203278 648951 1592506 1369568 915664 717827 776356 1410579 757165 1359104 971795 1573580 1369722 1264063 831325 621879 794648 1167237 1407575 879143 1378688 1472076 1350139 1097363 1405468 939581 784325 1450463 808446 1412848 1488327 863156 1314704 866510 768594 1674513 781397 1504086 1269572 1691030 1553615 825038 1326514 1300693 1340654 1060188 1588033 1541616 1067521 886849 1339566 1366502 1130054 813410 1077005 723598 727502 1461528 996880 664693 1898900 926268 1549165 907793 743815 744564 1465300 1126772 910496 1052944 1056858 1222892 1131052 992433 916759 1051472 929331 1073579 891659 1191529 1091375 914370 1296764 2370562 958081 968720 1138009 1156540 986070 1075789 1076128 956422 1005764 980119 935250 1176474 639033 1309699 1259272 845680 860522 1570076 1471524 1438314 1898546 1576488 1744847 1690111 1561350 902714 1571284 865006 951518 1457134 1598615 1785955 1479526 1632100 1995406 1520961 1597231 1607368 1847932 1737630 2039046 1599908 2755852 1616869 2473123 931959 1689997 890304 946229 1105805 1785676 962144 1966752 1565611 1663980 1695881 1857710 1543033 3109830 2881448 3107542 2761114 2603345 2390092 4082148 4339130 4379608 2952296 3307558 2721920 2988158 2989132 2913162 2801540 2700991 2471580 3045518 2948631 3085292 4550950 3050157 2877165 3259176 3189238 2816270 2934555 3163292 2920924 2737535 3275317 3277472 3114595 3163166 2978338 2937864 3208466 2727092 2932406 2916982 2905708 2924941 2793207 2927782 2876986 2717428 3175477 Ser-Val 643130 705554 867754 834851 759478 606882 843919 2334078 1051512 778302 2415550 739596 10371535 923966 696470 2716086 11503094 13956479 915126 12313353 839490 870980 952661 826093 789169 11485346 10529392 7417134 778557 877448 6386200 757277 819062 702843 842465 806028 737367 12383467 740674 13847400 897113 810499 676253 774927 13941973 14628734 957746 11782276 860562 931985 990350 852719 11887375 762959 728737 908167 770875 805504 844866 842519 8135168 802192 878139 627323 12727305 773854 9336587 13272558 776200 1286184 10322919 1075446 816061 806128 959182 14125981 11122873 835832 13309625 12105963 13917212 2084156 6821340 11876262 10150572 4865782 11036940 4535249 12334913 4630438 12672193 10490783 2034318 12250416 15692907 12722889 1070671 12551204 2402146 12907767 11371883 1094505 11671894 13274744 1210223 1482400 11619387 12293050 12612184 679484 846016 955881 40116888 17666336 17897450 12262964 39677760 11802819 15449667 36758260 895838 1602677 923016 988977 16326754 18872264 14834518 865903 18691578 3636048 15191824 18418556 17555210 13713724 1008355 3669880 932100 16191660 16974030 15007380 865430 914688 908237 1028473 13905721 13641882 892886 11731048 19266158 17118930 966623 3650027 1582958 26972130 26101818 25465254 3145119 2971049 2944463 39267040 40743284 39917984 37824352 40462532 38593008 2124282 2143394 2334548 6052191 6160740 5952158 42783424 42986448 42909160 41184136 32228070 32177766 2958890 2796515 3079724 31007020 33014456 32689690 45264552 43940320 45964028 4061043 4232338 4223068 40476392 40156604 41274108 33082004 31819030 35035660 40762112 40643232 41694264 38662116 35389548 36693664 Val-Gly 11758734 28678536 12646196 21362990 14580127 15746609 30013004 8812033 10115910 12795134 8435646 13501874 5487176 27736542 19805666 7550500 3526939 3781002 23319804 3888577 22927366 14096997 19394784 14878048 13627319 4029161 5415524 3868376 18819446 24873718 3802357 14252345 15260118 23828656 13534558 25026358 13550824 3677566 18766684 3503755 27331064 15404770 13512537 14729772 3480976 3634288 18537026 3384376 22650378 19896098 27032866 23388742 3417047 19278088 12872727 17287866 10984982 21341454 23406702 12509540 3768344 16336198 13385136 15679304 3802882 12528972 3319602 3320073 23759556 9051042 5065292 30869900 10990383 14486537 10102676 3859534 3499256 18886784 4076479 3762831 4422000 27696974 4464992 5612995 4473332 27173240 7886692 28726488 4115044 27039820 6654340 5184200 30036812 5807374 8009460 5415798 21672058 7197786 27822868 4693838 7410633 22603276 6506808 7154542 21159344 13708977 12624502 9818838 22320154 26076168 23524580 12472259 14918589 14568536 13097285 18119098 15914405 17478084 27494944 15415394 21699658 16243626 21239676 13111868 15092419 15682590 16237919 15586404 14252900 22536302 14696219 14654404 14477101 16291502 15039399 22408372 37341240 15880721 26506604 15924571 19717738 38637532 25384048 12599000 11565845 15989686 24631884 18576598 15038267 13111199 15599750 21357810 16670407 37080172 37585728 37913648 38864468 41664124 40564416 11978444 11658504 11558248 10705120 10881107 9985386 12622763 11584258 12673552 11789584 11900399 11861356 9654603 9590378 9389814 55019928 46831624 43997316 12524082 12587285 12180495 36581880 38621640 38162256 9790428 10852571 10451375 16094256 15993411 15127226 10377898 9993600 9531810 10336413 9793156 10182057 9881762 10124718 10078334 10025487 9746117 9785390 Thr-Asp 2076374 66244 2370448 35173 1879695 4753 71388 2248902 2563556 2282693 2580886 2160999 633141 82955 6342 8370 816198 818142 18573 441721 21760 1956426 8934 8441 2271742 477450 702501 2923396 5308 65134 2558522 15612 1219161 24244 2049441 38325 2211285 831901 7567 811291 45455 6390 2379935 16215 880181 949203 10897 861010 59383 10637 72778 26316 708523 1155770 6542 1230652 2515937 44873 69479 2401389 2949442 10328 7156 11494 511852 2246356 864387 752161 41456 2401676 653909 123286 2217711 13152 2725490 791328 844559 8738 1745332 1565578 2034080 1179964 1681639 2569833 3740582 2747588 3018825 3471873 2135149 2573845 1570958 3151393 1344829 3908272 5618918 2718957 1852195 1318456 1410053 2099069 1575670 2090492 3359892 3771842 2145032 602674 482464 430580 623109 7971 4697023 5050076 12243501 681457 684261 2527991 12093497 2359980 789461 12126373 5014005 721559 4641308 5071472 815839 776630 2734781 682982 781717 5004454 795808 863717 790432 2684185 703646 5505888 5527508 750885 808654 762701 5266442 5548386 4337708 5593434 516350 2514280 4363406 2632083 776179 733895 724909 4731490 734342 2388550 2251664 2318812 12526 88460 7494 2519715 2585258 2590134 2831448 2983319 3078962 1490195 1630195 1619093 2152559 2228256 2123292 2381492 2461736 2452460 3920202 3013706 2686094 65115 67493 67418 1266632 1247587 1209026 2631645 2514842 2645248 2981982 2919453 3018812 3221730 3178645 3121339 5862956 5536268 5374356 2379111 2501918 2492060 2406614 2345273 2425688 Thr-Phe 663885 67147 1293843 64787 672896 124142 85598 1565182 1433346 1304420 1340125 1251522 2084768 78052 64938 1562643 2518460 2206384 61473 1995416 73564 1167615 92627 179814 1022667 1927388 1893802 2125685 85287 77020 1758849 191154 99644 60790 1013912 74916 1169638 2685356 71600 2671149 68893 228121 1223065 171495 2168306 2549967 89776 2211387 57390 73880 73177 63543 2599840 107966 675613 119565 1408031 65208 75634 1133066 1948501 102276 250695 98751 2173714 1209917 2696142 2754544 67324 1486830 1973768 102953 1460155 284077 1469989 2128664 2574643 81011 2039019 2254612 1953071 459476 1359843 2092223 1779772 1181726 1931507 1075472 2021522 1084909 2336778 1740025 524308 2174474 2758205 2160718 1105665 2435870 546394 1921208 2398006 1022204 1947494 1882552 1144956 1221314 10052637 9890660 7427798 6582258 9085980 9287017 8296363 13393792 13662234 2423363 9288312 2267650 11834207 9302658 7981864 1394664 7583414 9299687 14622818 14066679 5383332 383939 14396315 988848 14412775 15481938 14447304 5055753 427572 1053131 8023742 14203402 12232464 13773665 9056376 8905244 8450793 9573948 10102723 5600377 9082631 2225134 15473312 13922446 433004 909366 1392525 790687 851850 866602 3327306 3056438 3656304 9471740 9045172 9279463 9328497 9717459 10115038 344376 343917 347027 684021 694283 699562 10245655 10114638 10476053 1550757 1739774 1479091 3444961 3234331 3547483 1064454 1998035 1905870 10903765 10703383 10398827 950199 1068162 1052771 11200715 11839436 11676104 9319975 9343199 9000112 9916976 10484025 10187899 9148500 9288451 8797873 Uracil 871817 2188299 809335 2062707 872046 1821166 1182010 394012 499190 523160 429874 709362 286154 1031369 1849707 432934 328378 328038 1984474 303646 1810451 579169 1663419 1130186 592924 321446 318124 440532 2549390 1386248 594314 1653082 1911081 2261966 856455 2075948 791050 490539 2591630 555664 2156504 1519422 797052 1545396 495070 500199 2616780 425562 1891597 2363211 1458741 2508384 492020 1809328 949549 1640152 638690 1632508 1610672 683987 557808 1909586 1227754 1915033 473410 799974 417900 446047 1863940 780687 390676 1968642 725086 1443133 771184 509129 472224 2447733 908185 816688 1457491 3713581 2966060 873757 2320118 273413 1656547 235986 874087 316013 1157625 2277169 3264273 1253086 5520966 897490 9925 979125 3384798 1139845 1186700 7674 1468283 1678962 11747 459743 682701 452179 157380 15025 8374 26558 678767 461884 625974 2683407 719097 2489567 217189 717059 28596 456155 22073 25869 602521 487676 1745327 765645 463530 2072956 616756 646962 520234 1671905 805094 2215610 18182 976067 208603 919283 27323 27369 43183 47392 359928 1645748 30235 2445339 544684 582500 757018 1836148 494583 361057 400657 355812 7155 6461 13733 2262805 1932506 2194198 1288758 1296451 1289830 1517262 1504547 1549709 1149872 1127939 1098840 718358 767684 779748 403606 391992 437982 1537746 1427621 1649436 739415 773183 761841 1422724 1192718 1265505 13367952 14494328 14586507 1052530 1029708 972478 2878474 2804443 2788196 820061 859573 809231 749512 819619 742249 Adenosine 3',5'-cyclic monophosphate 15984 0 1311937 0 16130 0 0 1567091 1356915 947637 1642022 691540 1565164 0 0 1453310 1956095 1947052 0 1628850 0 507291 0 0 458239 1812758 1822062 1928955 0 0 2022350 0 0 0 501898 0 747595 2145404 0 1846580 0 0 784152 0 1984104 1908029 0 1947633 0 0 0 0 1861992 0 30020 0 1260815 0 0 1055883 1863465 0 0 0 1853865 1029577 1805151 1883052 0 1516012 1955651 0 1312007 0 1483752 1922987 2177361 0 1685646 1985988 1438532 0 1052719 1593155 786720 7198 854270 8586 1494939 5344 1516867 922813 3026 1752187 1658002 1690300 0 1596742 0 1315666 1557517 0 888010 687727 0 1552465 1132300 993373 1251728 19638 22460 1900218 117120 1515752 1602408 0 106758 0 1741337 115684 853924 1896163 734457 1830102 0 1616380 81225 1579180 1701255 0 0 20479 1461484 68127 1677132 0 21506 1953255 1926511 1813132 640068 20600 23847 1852668 1177774 63970 9967 0 1597881 1698345 1624862 0 1852052 11717491 11359697 11748716 102292 82377 103281 12010482 10412409 12189676 9395620 10099314 9368204 11394684 12229749 11255018 11167851 10948678 11450171 10328103 11263335 10541004 14889077 11994715 10449285 11708803 12136977 11743796 7935927 8222518 7450290 10554183 11320394 10192596 1436956 1453947 1332269 107690 0 0 4966182 5650931 5166454 10184319 11017421 11371970 10982794 11260226 10799286 Pro-Phe 3232562 1211994 5682574 447306 2986365 1194060 1813173 6248018 5781312 6053200 5648826 5373158 6482499 1638765 701235 7361204 6671173 6620268 767592 6481276 914641 4589427 1047522 1909926 3928092 6775287 6291697 6747489 937266 1560107 6435818 1597035 1428976 803448 3652843 809307 5362494 6200821 861470 6726876 755893 1480470 4412386 1497828 6047366 7243762 858583 5565274 872511 1088589 1363482 919498 5731138 1112061 2884757 1376941 5881170 1087888 1373853 4404055 7999760 971307 2050123 1140520 5383100 5808906 6335727 6607436 792654 5450111 5960346 2120466 6840368 2094167 5603204 7035085 7911862 801023 9088892 9298239 8522545 4328047 3765342 10430663 7745970 12687714 11622704 11772266 9962341 12836914 9244989 8885631 4932032 9843606 10361388 9150425 6825048 8756947 6271714 6798774 8427459 6188088 11054819 11226187 7439359 10938493 15389344 6865849 13627093 13756135 13954029 810253 78821480 16049893 10158443 50042368 77947528 48273864 13922547 74320744 14970216 11196916 13050475 729011 16851260 16844334 27811798 5209129 16976546 18003602 17078884 16398229 15515481 27209966 6137395 18402884 14947113 15709844 15660789 15628408 14642215 15589133 13935369 1154100 14100416 27726424 14453766 49462444 16915034 10983816 5867908 16167390 11146026 19205980 18523636 19096014 21831808 21965066 22369394 22667544 21476948 20292186 20662114 20840642 20556618 1137038 1105657 1293238 11822985 11902944 11446930 19689242 19537086 20115712 16067367 18568814 19556022 934842 827042 1145154 16884542 18109156 19134818 23175882 20777244 20233638 4820356 4991450 5342010 21032214 21526026 24477346 28362978 29269698 29158256 20911072 21664290 21584214 21298992 23331060 19635224 Tyr-Tyr 66697 2076 87539 0 62568 41150 7823 77077 74887 109609 84474 86193 117083 0 9190 95282 128555 101606 14604 101809 0 83734 45060 44455 76896 120412 95824 88750 20428 4837 93742 33186 35426 11129 73163 0 66872 113453 36358 95598 3213 54970 70861 40949 91879 108666 25829 111285 0 29023 0 13839 149927 51400 59097 58276 90444 0 7693 77231 102203 42459 53752 32048 117476 78355 123388 95623 0 107849 103765 6830 87801 64543 90010 105329 97774 20016 157158 117472 98628 62886 99240 127878 83559 112767 59359 89841 155736 119246 118218 77865 74696 133567 138036 137023 36923 116212 86390 110314 124862 40191 46641 34139 28251 67055 226865 219288 179664 125146 132881 186060 351240 332136 411337 121267 325757 97479 255213 308530 218764 129501 222865 179893 286558 566081 185227 253524 316314 10619 309114 353659 492913 188402 337268 14008 225790 324429 281200 274607 237335 175182 181443 235005 241807 201353 197262 107538 581522 337187 285972 23263 74153 74896 68533 97839 314326 327125 318856 475044 580535 512968 737740 633005 543528 7706 10426 16280 93328 42928 40067 581914 596257 588169 132847 155293 94650 476868 366002 455487 103445 136412 98029 1373662 1408707 1430874 96722 55516 94139 654917 648807 646702 802937 658023 683279 530487 617143 585122 496066 518819 539633 Gly-Phe 2060431 252381 3704539 175104 2152418 497974 427320 3395354 3753443 3500359 4459494 3227692 4792112 393203 251016 4041275 4522524 4098229 243284 4508137 224976 2832630 392637 689758 2827563 4093136 4508330 4643271 334039 313116 4706109 663205 446254 216785 2835757 204729 3636624 4854130 330588 5013850 205930 952891 3094533 618029 4849876 4553996 303962 4392967 165285 356355 309487 275853 4412598 365482 2261281 444492 4016984 228217 255673 3735813 3938810 342696 1001122 316316 4700235 3590962 4788562 5371140 194244 4089309 4818352 732956 3444275 967217 4132588 4934051 4472161 294490 4199996 4391325 3398695 652024 1220951 3661805 2772871 2557106 3791996 2721756 3871026 2059627 4198119 2040078 827604 3806857 3628652 3542906 5074958 3790483 760539 3673678 4635084 4331721 4059969 3463865 4661974 151313 16700928 106843 6946834 5059402 8718019 6578834 46565276 9303696 24664874 31000828 42086344 29280744 9418251 170940 6989957 19641320 6537366 7057104 10210365 10160662 86067 83266 10026429 1406393 9837100 10440544 28930332 28376120 30106 1453600 7348736 205892 9361873 9158615 7078121 7056622 8688128 7209069 6532517 94437 8664755 110907 10415749 28943576 120185 1212895 72695 23081662 23632502 23104082 19505294 19514988 21549498 25504830 24438542 25671844 22855220 23828114 22730610 495736 447891 457086 7020228 6414534 6833082 25318482 24844324 26249406 33002670 26083880 24670172 7172554 7436791 7496500 21127690 22323950 22119406 26843900 26311034 26309626 953467 949637 953931 26587554 28493804 28664240 18514688 17423040 17670262 25472972 26591094 25543904 25701896 26103696 25671238 .epsilon.-Caprolactam 1349680 2389266 1416594 2223478 1578957 1631723 1473116 905540 875337 901691 765403 1767610 1470929 1378462 1109479 1120638 801555 998785 1113278 813065 1078944 1050717 952464 1063404 1165785 1268035 1732607 1132390 1838858 2576751 1549192 1618436 1737024 2108326 1731129 2380746 1604479 1837344 2148732 1724626 2108568 1477196 1716696 1697536 1375083 1638715 1711566 1241677 2330717 1804449 2352780 1969152 1512147 1707622 1534848 1611954 1326841 2009206 2108611 1350349 1636831 1527901 1572902 1613471 1515899 1649555 1390654 1321960 2153693 1751654 3359486 3313289 1663720 1799937 2006536 1492881 1590588 2166096 2110299 1884407 1885988 8111608 2315229 2093251 2088710 7127162 4734286 8168822 1977640 7879758 4747658 2487409 7757984 2346530 3971787 2176875 1965265 3496450 6818444 2139647 3812383 1991785 4152032 3331557 2165994 2915692 2402588 2326728 2065351 1743360 901177 903224 873089 912496 910757 886657 874118 858774 1011966 868066 909767 972312 952516 986215 949795 973796 956481 990499 1055181 979228 950207 1002429 976897 904239 1076830 1030197 1077417 1052606 1123216 1082768 1115630 1047309 1061802 1116127 981822 1018411 1049411 1024857 1118923 1133304 1144276 1134536 1186115 1558008 1362576 1556760 1434522 1340220 1368892 1381390 1458453 1453502 1584527 1854608 1478619 1578448 1402752 1374387 1684455 1475336 1453224 1552687 1579018 1515678 2259261 1543360 1363175 1611415 1545817 1416469 1549464 1577409 1423972 1501511 1559538 1492028 1422905 1392113 1364114 1473259 1508093 1415434 1383352 1386981 1363841 1496129 1680744 1604676 1622912 1467117 1584972 OPHTHALMIC ACID 39904 36202 827348 41228 31701 27186 37547 985878 1092829 641116 1099549 290200 1803025 26908 26620 1020245 1937995 1894484 31403 1514623 27042 183332 27361 88979 174719 1548122 1641202 1097493 25196 25559 1319350 29694 93299 26244 172539 26347 396108 1974826 17805 1773340 33670 28975 526533 17965 1962490 2216006 30388 1858637 27280 29500 38902 23848 2196263 24520 87870 22467 812336 21834 33736 636682 1166780 34051 34535 78170 1431102 762868 1728362 1847411 34565 1015068 1536594 44912 731181 26613 799867 2112341 1779684 28320 2149427 2821924 2605266 1381958 2983294 2572384 2877285 1251838 2370686 1546832 2620978 1481555 2764723 2810514 1342780 3122849 5082866 2856515 1595377 2606683 1177810 2632456 2386102 1303612 2036793 2192381 1496118 3400696 132158 2899792 3261711 2845273 2971075 3321355 3540686 3737240 3670455 4130429 3549317 3802857 4064163 3612442 3260397 4080938 3265882 3738050 4044652 4104535 4293886 209727 4413512 4278740 3888042 4163010 4030293 4105399 197188 4533068 3673448 196401 4413269 203403 3208439 3655286 3300117 3537952 2700068 4391746 3091015 3927914 4139784 4246979 219817 4066994 3657514 4894354 4406303 4221450 3712360 3663502 3544456 96111 92803 80298 5957277 6010307 5528082 207513 163825 171563 5290433 4956154 4801698 5594386 5897722 5747082 7213390 5112525 4834388 6479292 5984547 6528798 4399437 4815433 4705645 5120189 5189266 5134322 6632600 6551184 6677697 5993412 6129884 5804262 5795864 5208771 5598147 5594591 5548168 5483650 5385260 5565646 5563666 3-Methyl-L-histidine 400416 671954 407889 603050 427849 471807 989565 341820 404541 473929 466981 419302 462884 823846 583471 391840 391121 434970 560062 437559 643116 414478 549003 412472 387797 422440 462533 433922 549956 788294 407842 473145 480793 599549 438299 694954 392890 432809 540660 419966 676346 440874 415425 478099 497593 444989 577108 401463 675766 588608 994809 546833 492052 510350 360006 506638 444813 1055160 786516 366291 479254 498766 417356 479597 411466 438979 469204 406507 677917 466308 460341 1358898 426445 506212 398252 487142 425370 546542 581239 541716 534524 674548 486980 630181 578023 580780 486997 582187 515747 543008 573813 500476 599759 661714 835142 584461 483126 457089 692996 499626 597355 480211 534249 554031 550850 1172315 1181403 1198700 1367973 1156891 1657168 1554883 1812014 1344498 1375252 1858296 1876323 1687117 1508786 1964126 1443734 1357039 1366372 1651528 1578294 1583726 1689098 1501489 1651513 2239278 1517853 1640110 1685825 1693747 1538523 2211728 1509902 1503885 1567851 1549804 1422561 1533454 1519520 1583214 1389054 1746542 1583269 2018176 1632552 1585661 1693011 2132392 1494398 770926 713014 798393 770682 111904 685947 641273 731516 717740 768111 885049 1332439 774173 680613 638785 648738 563789 636844 832555 781804 786713 1170396 835931 706694 930090 911071 781442 940967 871904 750872 733240 84188 828720 1311181 1235987 1264990 779863 898349 628831 710454 657224 783321 824124 681937 864429 872147 747040 869886 Melamine 4863842 5870446 5615702 5843215 5671924 5540698 4923887 4168384 4782615 4619876 4751599 3382994 3848584 4521514 4272212 3704360 2831564 3359009 4671148 4351828 3640406 2812374 4376309 3112170 3158604 3286304 4098210 4068500 5633057 6455431 5785998 5747081 5933055 5921980 5552432 5683601 5630088 5431338 5711182 5226159 5422866 5625418 5258416 5904045 5310132 5447893 5795260 5191230 5981781 5874380 5712826 5008256 5351231 5685677 5297336 4290942 4028193 3570537 3200854 4396962 2885870 4538096 4271838 5375008 4744640 5085818 5162146 5182060 5155529 5114984 4653175 5855862 4502128 5417350 5555302 5221731 5609846 5082552 5857531 6124442 4781146 5407139 5546735 4545782 6247756 6393327 5416564 5197982 5128322 6163074 5800907 5370569 4664719 4517968 5958827 5134948 4241250 3940482 3629441 4133433 4349022 3847608 3389193 3821429 4276175 76447 54245 6773 282169 32686 303224 19242 183286 27353 12279 20645 32384 284101 398351 22757 106900 37926 326185 27661 23834 25106 15517 43227 35101 27384 295526 302425 46919 9410 27758 8052 28263 63658 122708 82137 119290 27944 334254 15263 135693 255531 341778 19684 14920 11000 30390 17957 39947 3707418 4138001 3524166 4360605 4568616 4411090 4545235 4550872 4550125 4435482 4060787 4817224 4120606 5004700 5421928 4329897 5138407 4911225 4530994 4579894 4061572 1496868 2689735 3872628 4745883 4887706 5539978 3577391 3764654 3504508 4968058 4105707 4255554 4219897 4765928 4540581 4690642 4470202 5037126 4905146 4862329 4887464 4183784 4390229 4424986 4503010 4029710 4302415 Gln-Gly 204936 294967 42488 342690 225012 339538 390947 15489 7932 64758 9062 85583 1126290 418166 364463 12893 112421 9448 343896 20597 350660 108838 566026 384124 124393 10706 1172230 15399 495906 320545 18498 356273 366916 286603 124069 209479 73344 16656 422548 6590 231415 274623 99270 299997 12405 5130 512308 120515 249740 559191 335065 480827 134199 396560 179778 393906 34588 277083 316736 44074 12960 482982 260060 406115 19469 51664 7066 121813 240717 20958 97372 457474 46260 304450 18543 8777 10430 483218 156800 142448 264484 407944 298547 350736 963494 399936 387103 486372 208273 379093 102949 638023 507717 410365 656314 280661 70540 82178 486810 243295 92530 80673 360009 512734 8129 556401 24341 494909 544101 9975 451425 99428 9101149 39016 629160 4839558 9037758 4474262 114251 8695842 429370 148494 36759 98428 125350 696808 2995224 16641 14569483 1875026 742930 763429 20628 3075724 9454 1988504 228307 529639 109762 536630 31356 430197 52227 99468 12841283 2831119 476700 4724514 14080283 652329 5683 1790354 143108 137772 138149 150158 14005 185822 178612 63860 82045 68846 308156 322105 319142 7121 8410 380112 233707 233069 209781 16128 12962 7828 327230 268590 254193 395803 61321 59778 365239 343657 360588 25636 11554 38962 2704678 2688746 2765529 251463 237628 229238 1538488 1449636 1417226 85420 85672 84140 17766 36214 30886 (3-Carboxypropyl)trimethylammonium cation 31616632 30090888 25856058 29690866 30743780 34995920 26586482 4203815 8943407 35445620 3065873 36328176 5545241 30229886 23650042 3265878 1727065 2228391 27772142 2308181 27926772 35826948 30785808 39727276 36417500 2270629 5960697 2838351 28536526 30555728 2883482 37939080 34736116 31942620 34551476 30762164 36655784 2041053 32382436 2214252 27890378 41881488 31298728 37487836 2459928 2795110 28347166 2355040 29781676 33221178 29221758 22416008 2203848 28989052 31920778 33529936 27573198 29024366 25714960 37275420 2105792 27458392 36006896 29282492 2367307 32427048 2089033 2026827 33122792 7291131 5960979 24738906 26563424 33026718 12987765 2375458 1957572 31722112 2382459 2607610 2695142 35377512 2336824 2212826 2244800 33081108 6116484 41244996 2113239 39072300 6739718 1925865 29337024 3111918 6613254 2247619 47388600 6345658 40419328 2377060 7114781 45487912 6469709 6211186 49599024 6623640 5067460 2549523 5979317 51103820 16237111 50424776 5210278 6499031 3043372 6711253 5378675 6115382 6246764 5424114 16921750 6638364 12264985 55726436 726819 6491174 6500346 6678879 6812592 5668064 633732 908412 6550462 6124772 7076068 6279915 56597088 6209916 7217725 6003980 11983444 56541996 18378998 59692596 5686307 6255053 16415352 6550308 6690836 2905072 6802731 5652970 7131568 2916470 2808928 3093247 53363052 52135844 52492764 2223528 2077083 2126659 2471454 2381558 2523082 2667592 2661601 2834492 2700604 2659496 2663994 793733 729315 757106 1111852 1040019 1146446 1091334 1155072 1088798 2579120 2555266 2579302 2621353 2663888 2714901 2153416 2320905 2223245 1905653 1806863 1613624 2433422 2574936 2542642 2592396 2564861 2531370 2524748 2573104 2766077 3-Methylbenzyl alcohol 594055 1749906 1141414 1725513 1444396 2194708 3271178 1840238 1242507 1348824 952880 972100 801890 3064371 3213792 1542722 929111 544148 2126272 1091717 2715150 1650167 2465504 2220446 1774210 823144 480135 413632 1704896 3551702 1531865 1697328 2298900 2699062 1727401 2868740 1629333 750995 2064680 891494 2685158 2693924 1521278 1687786 439516 315610 1863181 679165 2161749 2565362 3092419 2707178 1089642 1887399 1573635 1976512 963552 2671380 2772012 1512935 548278 1892618 1849484 2177654 760694 734025 426547 238228 2079841 1037222 354147 3588450 1324764 1923630 844903 296837 255428 2017512 697884 293417 206029 237242 188315 962778 331597 227859 218454 157093 144314 1018298 362379 387311 209929 145940 244018 183997 171384 154602 167876 134995 139588 162087 137306 147853 146154 233450 197052 203469 1860178 679373 262790 121583 109190 122318 107476 143874 141279 137481 564789 320167 487049 256914 532551 282096 272081 248900 250303 295318 230636 276090 209143 218385 209019 205887 206147 232534 267257 205634 866635 508065 704846 316850 793592 423130 349813 278309 881872 525056 325804 590736 347910 417188 317899 4377946 5287618 4547068 362313 565223 204883 196495 1562781 301630 307466 269777 209520 196395 229568 241873 447385 152667 256299 939942 622213 251144 3654873 4568616 4507090 384909 518847 225438 4469460 4728298 5626968 212039 2153764 333886 190204 222228 180832 701452 821865 193851 213117 211151 200372 308918 239201 337545 854545 151340 339141 Val-Lys 833253 52930 371475 68283 675983 512613 88561 460665 535218 381153 423699 331487 17312026 87395 77941 613088 14646496 20707006 67858 16160716 77901 285397 73779 825270 941743 17475008 20074496 12996914 79296 74993 10533734 70573 70564 68115 1098630 69282 327627 21499060 65882 21501824 67497 947726 354176 75149 22164438 21585068 72807 20465178 76358 348376 117390 58443 19202256 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52608492 55593820 5588036 1114049 1109451 31708290 31982270 32804130 53491428 53017164 53739936 13795809 15403629 14334119 43257976 41422048 42548848 49489668 53200412 50725300 65783848 54642512 52326292 5902028 5738817 1110558 49375388 44853268 45023980 58489024 59059920 55328108 24748038 25470566 25866540 63930856 64358536 64910300 63493176 63119068 61056216 52330856 53337532 52546680 55669948 55631108 53879076 N-alpha-Acetyl-L-ornithine 8856848 4084206 7679837 5596122 7628966 7359528 4756500 7824909 7141892 7593584 8019953 7967950 7278974 4351284 6583352 7062548 7340467 7493504 7176390 7498174 5845439 8451362 7789767 7835760 7730300 7754936 7550370 6643136 7014582 4432517 7796774 7547234 7598394 6220814 7782315 4824773 7273551 7537572 8026147 6787666 4647533 7769766 8171280 8389224 8074384 8126052 7092091 8142796 5452551 7593080 4155436 6209344 7762241 6616008 8729225 8096290 7911994 4032129 4320862 8255378 8798193 7659243 8034692 7227346 7777779 8552418 7934411 8213795 5144748 8251180 7296168 4279449 8213620 7721140 8895279 8377042 8311248 7568010 8755575 9640207 8354611 11588073 8809157 10605383 8855564 10108866 8254700 10800015 8018976 12127276 8481493 9565242 11216866 10529541 13010607 10017343 12285035 7933652 11908329 8319076 8721540 11255263 9157470 9128335 11268604 32973084 28031978 27718010 36458228 35342684 38152980 30804950 45062208 36878180 36112440 54010996 43787508 48937480 40253880 44267672 39865096 38346180 37635700 29599572 35222604 37610352 42533496 21538626 39430000 63674168 36828228 36036700 37516664 43329000 20825042 61799136 38691000 34213092 40933180 32357016 39212912 40089192 39251368 30994844 29132288 43925336 37705900 50807768 37809040 32695656 21130268 61214776 36498260 29503526 27374906 26481920 29812314 29224156 28716840 27131326 27337902 26404112 28514626 29485888 26228854 14521464 14711522 14467048 27194252 28210394 26132370 27626322 27090436 27981830 32884882 28027946 27337032 31709954 32270828 31123582 27538968 28299052 27699540 27695748 29600500 27396614 37321788 37905328 35595872 26017830 26692526 25997842 28262936 27800402 29111116 25924600 28311662 27558460 26594634 26683180 26044028 Glu-Thr 46526 36697 1541066 24747 864517 22692 34731 193178 101002 32601 162519 30508 1050830 47563 24113 216136 1405764 1549076 20342 1181446 28335 35871 24861 22203 56247 1450376 1396552 1053829 23287 35174 802521 26443 22682 31878 27205 44438 48132 1666748 33181 1646854 48480 30602 39498 38835 1675647 1768474 16320 1532225 32269 24240 26382 28155 1240382 24244 29353 23917 37922 21014 29596 37009 687992 38601 21936 20270 1402104 34201 1640657 1440199 28540 39838 1191424 56293 28486 1249916 47833 1541978 1585528 24042 1808804 1651390 2078931 291529 1704944 2099558 2304494 488798 1909886 600274 1747596 433162 1769601 2167453 253486 2900385 3446906 2323158 76651 1758702 294401 2036126 1800612 92219 2071076 2176393 40731 63302 478616 1353738 84301 288887 1326196 150797 5691498 2102756 1979765 2145467 5368788 2116278 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47704696 44948332 65242420 70817584 68762200 44592828 47817840 44884880 51031084 50141860 51562108 44884916 44060796 47167724 45700376 42537060 43714104 2-Aminobenzimidazole 930340 373693 886585 490586 1044882 795798 321255 1003735 1004600 886476 889528 911713 858141 358761 659354 765406 957292 930909 604736 944562 529508 1018970 814087 909959 962385 897444 934784 1004322 740393 285596 1017751 893247 865843 554540 985261 428452 1044826 1041071 780780 985373 391590 1024788 1079896 820420 934263 977794 686382 979051 451463 764097 328067 599829 967240 762578 983241 911644 1040346 344839 338422 1151416 1133039 794049 935623 676948 893936 958599 943953 877305 503629 989867 874883 340914 972475 883122 961257 1080959 969630 679705 1260396 1286184 1273555 857683 1351299 1578391 1202682 881908 1282648 771191 1337521 790864 1266918 1409501 851404 1690314 3258934 1382792 608857 1281173 853888 1154110 1343026 553405 1352880 1196141 595708 635418 631041 589744 701710 503798 609699 829503 839138 847453 847370 898469 813997 929114 976335 829834 770866 771159 710518 854058 860052 843941 822997 812548 937640 900257 854656 875862 771098 760941 858486 979636 714857 956415 913146 795322 735071 682763 597405 811881 587137 784319 632539 881423 842522 842400 802345 788016 673533 2062565 2133992 1908656 1462656 1375883 1473797 2163674 2009506 2053240 1927563 2012670 2002331 1725900 1805216 1821534 1958815 2001357 1969029 1876154 1899247 1873112 2606029 1985297 2134755 1931772 2002519 2121890 2009014 2115897 2180545 2013009 1955510 1915626 1984749 2085695 2054891 1988450 2021514 2014448 1993845 2080746 1930081 1868588 1953236 1933474 1869688 1996162 1884758 Phe-Glu 420221 253791 586111 237528 525285 400440 312722 567425 511637 467559 558680 524435 578252 339488 313195 576322 673716 652002 267703 657937 261114 587869 364379 399061 471594 611209 688420 671772 356623 296282 807204 391473 357108 253645 411389 275595 544832 771047 311694 824870 243788 437694 420793 344742 644742 836097 381834 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2580886 2160999 2261826 1519815 883184 2449519 2499561 2666427 874622 2523204 854310 1956426 981114 1361376 2271742 2227133 2476686 2923396 1012855 1295574 2558522 1501192 1219161 796516 2049441 759085 2211285 2605961 994744 2983630 742444 1536403 2379935 1448133 3109192 2299081 1084129 2428500 842296 1145797 1603334 973011 2574072 1155770 1787022 1230652 2515937 1071392 1142341 2401389 2949442 1238060 1673934 1010878 2684799 2246356 2349592 2243542 741474 2401676 2481991 2236786 2217711 1767713 2725490 2624481 2721491 1272466 3923038 3283337 3851505 1621360 2972928 4643358 3991954 3207516 4562240 3549524 4050414 2995234 4469159 3575920 1796796 5933749 7436916 4266440 1852195 3907626 2074392 3100188 3550641 2090492 3634852 3862622 2145032 4401628 3288821 4011624 5529910 4121827 4697023 5050076 30503620 6927143 6832992 7926976 30261124 7118678 7334647 28944100 5014005 6421990 4641308 5071472 7610196 7314904 8654138 6123254 7912731 6854879 7880898 7551808 7569875 8244362 7419786 7264940 5527508 5957975 7719172 5462658 5266442 5548386 4337708 5593434 5122475 8170765 4363406 7236296 7374192 6547852 6699652 6539460 6036292 7967228 7493704 7694500 2853423 2753104 2448684 7145692 7782207 7792243 7871383 8443082 7986078 1416937 1464232 1338352 5863466 5314889 5182066 8251073 8445920 8485656 11855568 9974531 8454933 3060260 3029439 2738021 6174340 5864584 5308118 7895362 9718749 9859433 5251482 5185914 4957610 8766294 9672918 8285354 8374978 8363186 8451811 8880600 8516226 8277640 8632239 8124782 8563208 Ser-Thr 346971 511356 377875 423508 440606 348136 530154 360570 412609 349388 285946 426931 4176650 494545 535254 376283 5964296 5919508 447339 4182928 518210 431889 413093 477520 402196 5000440 5237165 1210805 506477 525760 901177 455500 436236 561478 425160 506913 398624 6263682 497466 6018293 472798 428898 357869 462895 6282166 6743732 449292 6377930 516598 527801 528530 458939 4838349 452353 379022 471108 374897 440933 407411 412182 882857 447041 466838 385314 4899979 374598 6117704 5714095 468352 392560 4698534 698640 340617 461313 386235 6050474 6157079 476056 6319584 5904672 6926142 1802038 3878670 6942035 7224030 2478388 6852454 3032021 6309830 2392434 5921606 6784021 1850077 9125291 8854917 7466318 542878 6337865 2151162 6964596 6214846 421291 7715060 7820476 507724 4248039 2198156 7969580 8074518 563025 680195 705630 30178878 10891812 10860853 11151309 29469412 10670216 9686129 28384330 598111 4816952 669236 741744 12442126 12064619 11672145 1338044 11183531 4057346 12240179 12568796 11602841 11185702 1849914 4350185 710556 2521174 9871999 2367881 666023 682284 660334 738691 8496758 11080355 637483 10737844 12050466 10758506 1662756 3683818 4670548 9045267 8864238 9278563 1514511 1449602 1493885 2127550 2190382 2208068 18637664 19020224 18775864 1489632 1616774 1589140 8504862 8758242 8612870 18845536 18694730 19607852 19163580 14891449 13606363 1792266 1656265 1802622 10419250 10564997 10224157 21578544 20957430 21623352 4064854 4155548 4061812 24888966 23361622 23948880 19629472 20066906 18573596 19200310 18431316 19485770 17970728 16820478 17760882 Cystine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6316 6700 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5639 0 6086 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6440 0 0 0 0 0 0 0 0 0 42430 49175 61030 99853 57280 0 0 41527 29834 8970 195904 36918 163044 20914 30016 10077 50495 7656 0 37287 6916 200575 0 32332 20992 24075 26332 0 173576 0 39218 25626 21128 32782 5653 9915 18302 0 0 23492 157083 6922 119300 7184 24224 51083 28520 7394 2638 40745 0 20153 15314 71897 55256 11346 22821 70050 36381 164139 24805 94570 93341 27398 139560 169060 6052 0 8181 35633 10345 69856 26632 17578 149788 3952 20494 36805 186782 117123 128447 37530 57248 108287 64824 30987 123276 88131 95442 56836 24811 76634 7450 11710 39110 5106 Leu-Tyr 498603 40297 949839 31751 356591 98243 20967 756037 950006 955030 1052422 735686 1545396 61756 5854 1148613 1390824 1323539 29805 1398475 17313 624164 80831 132049 605433 1452231 1545115 1060478 31312 32778 1205004 214758 99650 18874 630600 49464 819684 1470378 96919 1318985 40942 186146 898738 155212 1605598 1678990 28766 1427280 30721 87235 23960 53214 1547650 96227 478461 117131 917754 33330 55834 798599 1132507 68078 221247 106040 1360746 969903 1477587 1422309 42361 998370 1123022 24295 982684 219325 841488 1547422 1444065 27796 1835536 1534966 1547659 614604 957747 1508382 1451633 783340 975266 873106 1199365 826421 1417213 1453627 668538 1351019 1951898 1622730 645605 1443162 712829 1318450 1552362 485520 738250 981902 549391 680568 5350942 3933708 3827885 2537742 4824979 3226782 6481470 5559350 5779010 2208770 6677938 2456116 5033715 6883548 2768784 608513 2904906 3292076 4736412 8924233 3481352 324274 5686994 741165 4424218 4871378 8204867 3222759 563880 856975 3213137 5717906 5212663 5473970 3706744 3137943 4726559 3341543 4962820 3418381 5083103 2198720 8953365 5919456 520105 674834 772015 1867211 1663499 2052271 1879162 2193412 2175973 6029982 6106896 5741134 6074674 6010028 6157844 165727 72422 25519 282163 328636 17672 6122886 5595634 6216592 1719578 2461712 2488799 5153156 4777628 5943748 722777 879624 1121879 10150558 8511791 8119535 1089766 1072889 1166188 6854872 7007010 7737426 6758268 7082404 6911888 6324610 6136767 5813482 4885532 5447372 4935146 5,6-Dimethylbenzimidazole 373469 256351 404550 267932 370294 292258 265577 389773 372202 405943 322876 387940 345056 262927 287397 361926 436716 429711 327024 414161 264832 362056 341887 359313 438535 422676 352793 413844 320392 290365 418456 340029 331100 269880 392033 276124 416727 425617 302104 460399 296183 340963 415782 302002 463299 453236 357477 563091 283299 282020 300710 254523 404277 255101 398705 372406 465217 303281 284137 428558 471373 328211 329768 213295 448793 405602 444375 405009 337277 468287 439110 326676 437832 313018 475413 535028 529361 325625 438397 433231 487002 487408 592426 516884 565288 432996 406908 413982 456573 364014 383191 647508 455452 576147 1053626 553990 483763 418347 482011 469041 428896 443365 442936 441276 485798 1476933 1046398 603810 1152759 1107732 1516602 1682945 1728215 1531022 1533927 1894347 1765468 1802572 1506218 1727794 1466644 1740905 1438823 1631387 1621240 1595359 1847721 1683210 1617706 1769198 1501805 1634694 1449184 1737626 1676944 1926676 1466494 1560286 1524394 1495956 1361231 1479231 1346231 1572113 1195899 1756547 1361988 1773613 1517527 1577581 1573094 1727134 1581230 1085199 1057530 1077008 881030 974638 928723 36195 968191 898109 968811 979119 914462 1097473 1032702 1089276 1098257 1099617 1043209 1042726 989430 993437 1941482 1098496 1075279 1024492 1028309 993831 1109313 1158563 1145330 1164485 1163336 1216455 1084920 1112711 1136686 1039357 1042774 1043854 1018414 1007858 956667 985040 976305 969300 916386 885957 943463 5-Hydroxyindole 155178 173987 149016 169556 199614 134766 170289 169787 163704 210310 127428 132822 185414 191748 150175 173308 160115 192219 148636 164099 163416 125794 216944 140192 172863 167675 132132 184183 190008 183416 162383 137584 169267 172807 182141 202509 194975 181701 181118 170501 191383 169468 154913 165947 148698 179545 177560 220533 136527 165019 155569 158502 187155 150412 147651 159168 167063 170764 181493 189971 170254 162385 173912 163451 144543 211559 172696 185096 205142 160898 164357 217486 166533 195236 200857 168768 141892 198080 178780 268252 186888 188268 255400 238825 192958 182030 167821 191776 221154 195433 208237 263770 207869 300124 293143 231993 198357 177823 219875 204965 197628 238014 222001 195988 253885 282265 186235 147441 196800 304764 346646 334843 303800 274242 287757 310557 275104 315656 270182 284958 294205 343766 331747 350776 289083 301301 303092 296634 305470 278658 285802 307266 296974 304259 275132 282912 373518 276799 283881 281119 315237 428110 309636 327413 258980 283823 327750 326868 279371 313626 328316 267802 266317 262000 261092 246256 246952 295527 283594 203677 207576 185830 250686 233073 289597 245852 217438 216636 254203 263613 321358 257739 208185 208602 333232 277846 287827 261355 271613 293922 277922 299690 309862 229128 220252 268080 289530 222419 224375 256624 217720 216323 229407 240827 277099 281774 258501 247710 233122 196581 257396 His-Pro 191157 128532 1014063 119546 172570 186478 177396 1446202 1236710 827648 1453543 728125 2614268 178567 191567 1300740 2627452 3446510 148751 3051699 133189 596343 193228 216143 520786 3345294 2787810 2575270 232414 128218 2507064 234109 255132 156708 615725 120908 702198 3365067 222446 3483031 132524 204394 929484 257911 3747717 3721768 205697 2955782 139592 233818 177169 177617 3079157 220732 203953 233660 1188580 142917 149527 977411 2614356 273300 256607 248756 3730564 966809 3392914 3769694 128176 1312065 2919953 273875 960909 212761 1267378 3128920 3392012 228101 29744022 25465584 22209332 12642670 10260023 30871166 31913700 17699314 34365204 23064610 32487076 21321402 20777760 21606820 14288062 34267844 20930272 28703798 2423622 15584775 16730371 20107830 15804230 2119977 30095276 41354908 2356150 3213120 4129818 3346197 2602050 4195412 3683164 59702 86165880 2858485 2844589 48004172 75411472 50634976 2580140 74525864 2417969 2839065 2375663 76423 3878278 3022559 31892100 1820230 2898472 24145252 3611544 3806344 3294026 32762762 1785108 24021668 5830153 3478164 2548250 3517633 2036522 5372394 3505017 76302 2775578 32667398 3466727 49817624 3228945 2734933 1793682 23652762 2889047 7583454 8243831 7560523 4558075 4371283 4316969 13529909 13091572 13335085 29057872 28797612 31955282 1400857 1500087 1432279 8769354 9518633 9882533 8839728 8788415 8834724 10545472 10946692 10928223 40291 772709 33495 13170543 13258781 13634238 10418978 10052077 10053877 34179252 33822684 34156376 12130417 12107653 12144974 99789200 98114584 93613592 15644940 15719977 14175105 10414168 10508847 10430463 Adenosine 3'-monophosphate 4301 0 17216 0 0 0 0 5628 31409 6394 23078 12141 267391 0 0 6696 364726 329761 0 245036 0 14888 0 0 8613 252822 303216 156556 0 0 122989 0 0 0 6412 0 8712 353514 0 343986 0 0 15244 0 328707 367702 0 397005 0 0 0 0 375559 0 0 0 9395 0 0 22814 147875 0 0 0 270422 5814 353826 377991 0 20709 297994 0 13734 0 12762 435407 394182 0 108397 141476 503611 0 286333 102609 344418 0 419863 0 95554 0 45003 386854 0 120626 796780 118403 0 53424 0 458490 65628 0 305787 463948 0 265364 0 259082 1284531 0 0 9277 49823 311797 396088 380404 31384 332504 1393220 25408 0 363775 0 0 0 0 0 11610 370158 0 0 0 0 0 0 0 47101 6897 1665015 5884 12134 55247 0 0 268035 0 0 350007 0 451036 0 0 362922 2328384 2055252 2019428 48816 49945 0 178372 191856 129037 728157 797553 679311 99971 206070 1986081 771247 643043 708211 591592 633263 604309 2269745 1387862 1279108 713057 717353 642787 688736 731145 648987 1958858 69938 46532 44899 14037 93564 79897 67715 9786 275639 247635 240163 566471 490077 594728 838908 761624 838849 Urocanic acid 75827 138860 4680088 97740 53535 51717 136448 5957811 4158697 1444605 5001884 471778 240753 107999 71434 4540645 223553 2234303 58645 3115041 71467 61468 51188 35341 19469 3784026 266205 6367927 90732 149197 7797328 1831409 57964 100516 81950 137066 821427 3797055 74081 3663896 182982 64906 1142720 78878 1348716 1560292 71824 455547 129484 58288 245826 89360 1354420 66163 77675 48020 2989887 145492 157870 1500093 6595384 44202 49445 60909 6185168 2471952 437644 429112 122856 5954966 417289 567241 3667824 53908 4672520 404609 446984 71473 36505124 31516150 21743350 165829984 78611680 72891856 53678468 129738608 15931072 156886688 30864036 127935088 31560470 52893376 162504384 100069144 106193392 75240256 614177 27009466 192310880 19083170 26042028 588391 14966260 19734818 642240 109026472 1518926 82053800 149210240 100601424 198301552 189839680 210670720 168560352 176892960 406269760 213570720 398265056 211242560 203959120 192402912 95356784 191204080 207090624 177548464 189756096 195691344 183822592 181466096 697647296 176120384 179113024 169137840 186556800 188881600 739809856 181689696 1900520 198444224 1558590 182123552 172501296 179200288 182701104 128532184 177712000 177030544 386178048 166758880 164165648 172344752 616349312 71977456 2737898 2500976 2887367 3209770 3309955 2746984 5844217 6611004 7011608 16765767 22073568 17841730 2479312 2564736 2535883 141835920 127394160 133221632 2661762 2561992 2728202 3938236 2730878 2449995 3060582 2777223 2524947 2652003 2890327 2368216 2475220 3859907 2943465 399637440 409393920 389336640 6445264 2694857 2064894 122799672 119821848 118482136 4539452 3940942 4092443 2631053 2274143 2661581 Gln-Gln 268356 617604 82682 528718 278583 253679 1292513 51020 66226 138766 36778 183022 110674 1007476 440041 35029 156011 14955 484066 17391 562330 237590 411751 252581 212267 29780 124485 35326 500128 803907 39771 227180 320199 439339 220320 533133 185741 7520 351143 10647 583513 197487 176721 248024 219435 239648 407797 176462 470002 368980 1227560 521663 178079 311678 294643 316150 77095 656269 733041 144565 35998 336430 172772 324066 23601 130363 185942 187184 551890 66051 142906 1769036 72320 167169 42001 173322 162233 349072 328636 284342 263942 418089 168914 536706 645861 1268806 467148 1217388 454689 1178421 267398 470924 458101 540407 306494 319667 62126 214337 418050 241724 191327 54016 468181 533951 46984 420110 6713 1192986 106266 66747 153221 818818 12611568 12256 16250 2520264 9661914 2621305 119505 8044586 65157 463662 52664 587948 146277 1417287 1339684 1548228 1405060 808373 122470 141876 7556 1123111 1469365 793244 917692 12685 76530 20719 57270 48896 52528 457731 1189010 1126697 17122 1545172 1409356 1462720 1626256 838263 453488 633440 582794 590404 36622 30126 19086 78182 74731 79001 261296 288962 310739 14484 366916 375113 901404 856844 889481 12757 12140 18530 884756 747011 777511 11575 35392 140107 1520022 1587236 1469017 526223 582521 28817 1156262 1160099 1293132 470742 457609 467331 1648664 1686825 1681991 138242 141800 127184 39401 54320 41112 Arg-Pro 170206 43289 181209 41631 125033 26984 74862 171059 191889 158556 167301 145660 2219624 57152 82953 180482 2192109 2271252 38164 2182921 79626 124882 95928 120689 167687 2388766 2152162 2224929 84565 70785 1925935 120098 121591 59931 150642 45682 184048 2466856 94634 2224884 36719 126198 151307 123171 2400483 2454114 92380 2142376 58527 101998 64683 64717 2445969 95257 152983 24806 180161 58766 57200 165447 1809438 77564 132031 35392 2093098 154092 2478401 1752579 59422 157763 2072284 102597 124202 129131 193451 2402858 2559381 83451 2718728 2727268 2556532 977525 1367701 2403723 3169556 1364196 3147609 1663898 3275068 1565585 2906214 2325161 955805 3475490 3512580 2518784 224076 2394686 1217016 2272920 2714074 222509 3342958 3045531 248061 4118273 3681459 2939068 501676 3568260 834231 732855 10060052 4739070 4252485 4517105 9763801 4297577 626606 9668245 588091 5165582 556619 784309 5036407 4963436 6589330 4815827 5191956 1922022 5128879 5213138 5382794 6526170 5100380 2109018 3694090 5523728 612030 5476139 538741 3089220 850382 1090629 4058233 6214216 838651 4359533 5250274 4836122 4984166 1768120 4884813 430579 420260 438798 2188358 2169569 2116960 4340078 4311408 4349593 3582359 4435939 3844378 4084496 4009040 4000924 4307810 3738808 3983449 4202764 4398349 4372306 583566 405442 433797 479677 406345 699447 3647608 3601454 3498468 4452891 4760750 5131892 490693 541477 564016 4494494 4321472 3870669 3475047 3444290 3497928 4041887 4299535 4323241 4444898 4269121 4326822 Xanthine 0 0 391564 0 0 0 0 305428 334967 313827 310794 283576 406951 0 0 405738 505874 429436 0 320714 0 105510 0 0 106194 338466 475252 261810 0 0 307954 0 0 0 91643 0 267435 417874 0 483261 0 0 303333 0 470946 547979 0 462632 0 0 0 0 536374 0 0 0 440059 0 0 294108 356225 0 0 0 350013 349496 412108 515361 0 333013 442942 0 381743 0 348986 481135 508382 0 1078564 991530 2610233 5901884 5410764 1824822 4353961 381774 2759129 389766 1021342 328220 1119499 5148777 6594966 2140503 10126751 1561200 0 1080751 6347378 2337289 978009 0 2370526 2842532 0 0 41477 243737 0 0 0 0 250868 123402 317408 145136 243097 99383 0 20538 0 6027 0 0 641384 0 640042 0 116312 903009 631156 624318 0 653023 0 1077944 0 54612 0 74875 0 0 0 0 72197 706712 0 112980 0 287860 0 821004 0 405214 375653 408144 0 0 0 469866 443299 515593 1708901 1856576 1610131 0 0 0 1668994 1661689 1600134 1775802 1997206 1821958 343533 279281 292370 2748266 2549236 2599906 610688 708383 739042 0 0 0 11651410 12292439 11655705 2467602 2739750 2473020 1045080 1105534 1060390 1286697 1136805 1253804 1162234 1074913 1099416 5-Methylcytosine 6246648 7025498 4538656 5394406 5408286 5077500 5908262 4395054 4287682 4985812 4862346 4473207 3200998 7351549 5815578 5156864 4137496 4143593 5792306 4693506 6076679 5082788 4382197 5334273 4270580 3941908 3633578 3992659 5346886 7028625 5208486 5577993 6019592 5334441 3866600 6257685 4553098 4396990 5186169 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5421018 5551424 5178604 4912916 5269266 4916222 11707859 7793675 7489244 5307461 4858188 5777304 6729790 7341438 7146028 7165688 6259852 6335940 4600157 4558921 4742184 4817954 5197878 4916833 5326751 5458496 5492239 5203410 5263827 5533227 4969404 5090311 5194646 2-Phenylacetamide 381502 328411 346170 323344 392339 335997 333098 414831 362712 425478 282024 7295482 419794 385235 339896 377337 366737 353237 334631 325218 384906 379459 398577 377665 418796 425281 368512 466046 433933 386099 385484 349873 394089 365394 492430 427136 478555 458781 517397 410098 403552 452974 382569 489497 357409 342624 361735 405098 359817 485888 404620 325203 466744 411512 384936 412263 429934 402133 408027 502581 334654 390188 433477 469640 5824 520326 388558 499102 465443 360203 444248 422711 458531 429235 505150 388678 455005 403737 443751 605668 522405 453840 531348 508427 514138 479121 471462 507113 548043 517886 554036 626114 565417 642648 12003 511504 527978 437196 473859 516787 447690 525852 513867 446210 635562 1324600 506053 393508 24236 378565 427860 3597898 246202 284059 305072 329400 484710 340777 277837 413562 314874 253579 647062 374180 418012 827828 810556 318140 350541 622986 606149 355768 320171 248539 279247 606868 913767 712663 774841 864274 317837 298825 315227 229427 282624 371505 339659 277482 437406 458841 219187 285047 240228 640766 737059 660080 284548 794989 728508 698230 675616 713820 0 0 255845 623381 501655 614104 721228 707902 539861 0 553743 669041 1074539 577871 716904 712585 18532 568456 544759 659198 779610 330548 585263 631217 43125 728276 148382 785796 16471 9927 12586 581116 24405 0 16202 277 0 654589 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]- 7046446 4912798 6340971 4606794 5514689 4578900 3303354 3418306 3941549 3821839 3785902 6243332 4524573 3127130 3158935 3566325 4254043 4564451 2982933 4594828 3209578 4680731 3888167 3856739 5186964 5382590 3997396 6588790 4505637 3641236 6523076 5346093 4391763 4348768 6722814 3942688 6487810 8103322 4019342 7237845 3800419 4945902 6805686 4935755 6638062 7085444 4188066 7173622 3843053 3778960 3961897 3430053 6376689 3868173 5798669 4536068 6319854 3761272 3588350 5211639 8235926 4591693 4018094 4009633 8039096 6799061 7520348 7162238 3805688 7264962 8310406 4033261 6310380 5078345 6925873 7495628 8514368 4064095 10662640 9090343 10846755 9016528 9028513 9595260 10620992 8445824 8500492 8816223 9830058 8005785 9812002 9972268 8593255 10984028 17902658 10829128 10733702 9547306 9129964 9902721 10366003 9273666 9755977 9839937 9498905 34135736 9142114 9846574 7701451 6853287 10984096 13137922 12061596 12775111 13428328 11737665 12382986 11791514 11829591 12447121 9657649 20531262 9768602 13870687 11641253 12736919 10987866 13173319 13457675 11067897 11268921 11693642 12329046 11975390 12204925 12852951 10241070 10881224 11913802 10898585 9628089 10680609 9893127 11406565 8292953 10947226 9588604 12119858 11156110 11679068 11756552 10175530 10961289 14201436 13114779 13813183 12425188 12168686 13915025 19005476 18911602 20265378 22095664 20412996 18190276 21468178 19955074 19222522 15777736 17917802 15928097 20080754 18110484 18987182 28803854 14256784 13367538 19436596 19864788 20472882 13410012 12367168 13284921 19420148 18240332 19092080 13855358 14379398 13353774 20437760 21480524 19644096 19544596 20221056 18075380 20483730 21265342 20416996 17416322 18802752 18463340 Pyridoxine 8366337 8159748 8750569 7574520 7604404 7192352 5391104 5342460 6021938 5773062 5804302 6824022 5422014 4402994 4553708 5167034 5944220 6702800 4458877 5352962 4336056 5677184 4677520 4763107 5210556 5801344 5448560 8203751 6809217 6977686 8564618 7106539 7556604 7008956 7769412 6753634 7543568 9032227 6876981 9006778 6000817 6995055 7441600 6381922 9271823 9812131 6506271 8523487 7078008 6569104 6173935 6682530 8932997 5732746 7398282 5183466 6324704 5432952 5632272 6342752 8294766 5147809 6166962 5679284 8347600 8249278 8636628 8433551 6417573 7508206 7202013 8326580 7267008 6845346 7169360 7928313 7978342 6179719 10617193 9720211 9018524 1713120 2187760 10762391 7104136 1796816 9177294 1815932 10545130 1810112 10946597 5565880 1459907 16260252 10629993 14083367 2017047 11658247 1661448 9167744 12294792 2216948 10102488 9813532 2298392 9785133 5795122 5740622 8019068 3231754 6343294 6761023 14211187 11280974 11387665 6180293 14833835 5539176 7032232 15364385 8484048 13301525 8248222 7697940 9895705 14333448 6193916 14366525 13324443 5745825 10120529 11032072 14397603 5892725 15604591 6034986 5184526 13142282 15538588 12871113 8142114 5039036 6821126 7519316 9914559 5661482 6980287 5665072 15208084 13377513 15267691 4748763 12430059 17826474 18986026 18235786 8378938 7895756 8039168 15092252 14262768 14647623 15103766 15522669 14047186 15468524 15862800 15843653 15643151 15017196 15006495 14357096 14607068 15107876 25723650 17609224 17881510 15226396 14840725 15730305 17934988 18647930 18368732 15439526 15262713 15139780 6171714 6527676 5933365 12964796 12183122 11061018 14839520 15033323 15153548 14677082 14951779 14631617 14448965 13391660 14520529 His-Gly 2174880 733932 2354802 782338 2210420 1941580 905027 1930565 1809975 2482091 1754109 2514316 1637366 990450 1206486 2125123 1646905 1592804 944880 1641541 770390 2250514 1889795 2215823 2570722 1485972 1725002 1856736 1438578 912640 2027726 1957723 2248476 807989 2278470 701965 2516736 1589751 1640864 1726524 647270 2486140 2360810 2361103 1630971 1712099 1498212 1593592 732389 1575640 956805 1375377 1820421 1963463 2589486 2101498 2492228 714521 851701 2678888 1916631 1721281 2325722 1768049 1586402 2903816 1632811 1577246 752817 2628681 1789947 1548138 2685339 2129286 2052529 1541666 1572402 1843903 1447486 1559487 1642897 5901456 1604524 1697057 2474488 2494989 2306002 3211998 1757011 2424820 1850838 1795710 5239574 1377896 2279012 1616362 733198 1560476 5736490 1923598 1817640 845961 1980856 2026537 842852 12828130 15713620 15873256 16191913 11141718 17956324 1120915 36148492 16357650 17134272 22334230 34314972 22108350 18317682 34201392 13536953 14252977 12680389 1111025 33963912 18047594 26722206 5383313 17193960 10521209 34418428 34628552 17746790 25915580 6804028 11572046 12454441 17941236 19353868 17831694 14402343 12537861 19957638 1137912 15261344 24944132 20255224 22531904 18480028 17970336 6385756 10843074 15165698 5558440 5171202 5457317 3251856 3673474 3309477 6979782 6823234 7186256 7337692 6946916 6746457 186418 81631 71394 6527589 6828220 6680712 6545588 6742926 6870958 7193084 6684884 6620648 182416 141579 165169 6122615 5941921 5802012 6545150 7203013 7401322 9577408 9101089 9535193 11679597 10957098 9598692 6432545 6166978 6647962 6909700 6728100 7100878 6375334 6953448 6796191 Trp-Leu 153536 73986 183588 84047 161775 140364 153653 214339 190170 172544 173588 192070 745996 140321 111273 183778 888762 877562 104040 762858 61656 145390 164556 110983 195000 833569 626726 552337 169742 141042 499175 176077 162838 86012 188257 82212 172104 904547 185323 948311 95165 203214 178647 189019 909186 1131409 140821 797052 78683 159938 117232 130330 847973 173327 141974 162864 156021 77711 127419 230099 490626 153061 159986 148669 873163 220347 1003525 831919 66709 224566 814483 200995 221733 172640 177005 940681 987827 153378 1251993 1146804 843978 383801 581858 1378338 845410 734731 530959 722557 1136299 776235 984746 695809 430343 1600071 2198057 1217907 144374 1013116 454432 891389 1081859 123248 538535 469210 117009 837250 754910 751259 726241 460923 845745 629236 5044017 1396268 1247527 1378098 4666222 1299780 1116155 4829380 541225 962780 584887 657402 1418064 1444835 2177964 575098 1510221 261645 1458107 1532529 1203818 2015470 656593 305794 606708 1137451 1059032 1065356 676158 633964 773238 603798 1039307 2132894 823854 1300265 1363090 1310526 639446 228636 934313 637553 603867 592024 411481 388644 407828 1299433 1317070 1332939 2158906 2163714 2061445 57592 63176 68483 663321 682630 691548 1771177 1848031 1923811 1117971 1038592 875373 1638493 1508354 1612275 569398 614489 599502 1511609 1447736 1415760 370930 317576 334902 2018517 2093031 2177467 2795857 2772430 2742106 1941443 2081975 2141201 2075415 1907602 2028730 Val-Trp 544434 111406 989024 48461 528026 186010 141801 1361668 987894 1055376 1007289 1059539 1859227 117874 92552 1356265 1769690 2033386 68232 1711879 61982 902762 109679 229330 702113 1947642 1601151 1614161 96459 115701 1622865 234063 135702 81113 709356 65112 814162 2103765 126655 2022734 73302 311213 854554 272652 2169428 2238463 116074 1585584 77739 116554 97824 104076 1642500 135407 541055 180370 1130952 77743 131010 1173838 1962552 131990 286561 119027 1810097 1130040 1876369 1859836 58332 1293290 2071047 209564 1204966 283187 1099680 2197879 1847825 113602 2719691 1795894 1722887 300757 914787 1951474 1440682 788537 2165909 902605 2064915 647484 1817796 1206182 317054 2434064 2496920 1783248 1045296 2205822 339319 2017072 2135890 1117648 2448074 2282506 1115444 770017 1188063 1112202 1277774 920942 1397208 1380696 3699920 1814147 1806491 1611289 3905172 1428659 1872762 3572806 1170425 859384 1209616 1370647 2120563 1182005 2017274 1486050 1990668 270816 1910174 2063546 1185237 1981336 1588538 312525 1451852 1975494 1771759 1761891 1468880 1501664 1299427 1310015 1313224 2027334 1394571 1589857 1239184 1965270 1605297 261388 856050 3987393 4142713 3828614 2538246 2374926 2646616 4540022 3978807 4605818 4592768 4385374 4565750 1104792 1341548 1347809 1175994 1177911 1246762 4684527 4341356 4744319 7080442 5262506 5442877 1312044 1250411 1361010 2924226 3322350 3011391 1210408 1157846 1102800 396393 428234 302344 4960830 4756894 5161557 3754262 3877134 3765564 4756426 4776232 4602651 4222300 4470766 4376014 2-Hydroxy-2-methylbutyric acid 20786116 36236860 3523259 29163864 20566156 22514814 39800744 1561456 2632520 6716722 1377999 9830926 23022 43364244 27093336 1253899 30983 308071 27483442 419922 27932134 14253322 23863412 22895160 13207176 427167 38895 791328 26978084 39978216 894888 25225962 22538708 30512886 12903699 37489616 10366872 296080 23546818 283756 27803782 25632038 8661016 23127988 229921 267216 26382510 36791 33161222 25076852 34895656 30709426 215804 20236038 21460044 25360482 4383827 36708392 39645828 8093968 759343 22059080 23693566 23352156 386910 7525110 22131 27054 33542926 2368231 40756 49120996 4080850 25645174 2924942 21509 16941 26443072 48718 39688 24255 23566 44639 45388 34613 60234 28178 20397 21200 30659 39011 20838 39732 5814 37462 33789 48504 42248 20774 38276 28218 29688 34840 37788 18115 3066991 2827474 64339820 3297314 3202444 3129106 100612216 2793672 3014260 81167392 3262521 2848106 2976120 3483304 2829006 3638000 3384688 3344903 111896104 3192276 2745331 3321892 3395303 3467332 2870788 3492749 3430679 2842982 3180118 3525360 3024006 3521510 3925029 3799819 3630173 3611501 3858978 3488323 113665344 2881357 3166178 3569908 3270718 3002649 84647120 3592458 2918382 3462974 21510 21843 28544 56150 30670 78109 32371 48577 24649 47646 32218 29100 193093 77764 23856 26238 44799 27189 42149320 42643872 41028708 70504 29215 54360 67914176 67575712 69495616 36236 51365 26851 24918 27828 47485 19692 21078 69173 39138 22477 78388 70514 37416 52748 25516 41585 65902 23727 32830 59874 DL-Leu-Val 3331854 1255673 5837326 761599 3751246 2083945 2088253 7722492 6661366 6760832 6369480 5836384 30259544 2034374 1386152 7505261 32160394 30021876 1211894 30943622 812450 5337022 2183364 1672875 5161600 32364762 29342638 17826844 1941565 1789110 21967800 1947950 1899839 813740 4586204 793895 5031226 37010952 1910628 33938276 1106718 2462608 5788423 2200258 35881276 35503876 1683660 28741712 798638 1816856 1849906 1391598 33823616 1990241 3405608 1973014 6730426 1194084 1146986 7285191 20252018 2329224 2226382 1722500 31040548 6280970 30369490 32197600 881609 7431529 33765404 3257114 6628547 2224782 7229372 37530208 32404762 1839193 42169408 37621836 31669492 11653360 28922342 40325140 37728336 17150122 49250888 15592402 34735640 16356664 34407804 37144776 12826527 45809632 73559440 36438172 3054212 40508892 14878128 40092976 43859708 3306410 45473988 52769148 3341510 13451928 80068056 85678760 40089148 34910856 147874208 12217165 281069632 126329512 114998976 93035464 276980224 86205712 61476968 268354784 37486584 16376613 39419956 13796990 204551792 142050096 102008576 2581963 131255296 33057158 207493904 215638272 136231904 95519688 4233139 33410774 52436624 111740624 61857264 101579744 43719400 54481696 159277888 11972322 95052304 104181960 162359200 95102176 147939104 115816192 4099657 29973784 15306860 23217684 23704254 22376074 18444368 18526444 19791374 92661136 86706888 91975568 115858648 114873744 108918616 1143613 1104768 1123503 12378826 11988824 12318988 110649696 110290784 113666528 65981748 51485724 50718556 1530228 1547945 1594405 45254456 46980700 46610428 96290344 91871456 100072512 26593714 26321298 27063582 126819536 125159584 120160592 116503352 117190696 115897536 107732352 112346608 114505352 95439952 93132032 99486272 S-Adenosyl-methionine 0 0 0 0 0 0 0 36701 8720 0 45910 0 0 0 0 53715 0 0 0 4524 0 0 0 0 0 5588 0 48789 0 0 50348 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 55704 0 0 0 0 0 0 0 0 11830 0 0 0 0 7789 0 0 0 0 0 7363 0 25145 5895 25904 0 0 0 0 0 0 39020 0 0 33908 6267 0 0 0 0 0 0 0 7788 0 42369 26123 0 70783 0 5087 0 842723 0 0 365459 774260 352863 82856 695808 44239 59500 42852 0 23840 0 261414 48240 0 216502 19392 21239 4426 248371 43660 225590 0 53843 81935 5302 49488 0 0 0 0 274496 0 437532 0 0 42679 192101 74852 362019 363618 353811 0 0 0 241285 218999 233691 0 0 15077 102119 85059 77830 361118 323206 311795 9165 10619 8395 312910 270917 258469 69231 63736 67806 0 0 0 0 0 0 122689 121683 110295 51118 54404 60959 0 14419 10787 0 0 0 175108 157190 173309 Glu-Gln 77292 158875 65127 115687 95683 103490 264960 399433 135502 55817 521448 84319 3117728 250545 118775 481421 2901796 3454882 119538 3160398 139896 129788 109726 80209 112627 3060583 3260161 2238562 115069 258533 1960724 84684 115101 119688 114626 152287 69895 3429208 116506 3341529 170719 75915 81991 79438 3499291 2997355 128384 2802364 116149 102380 267008 109116 3665274 108828 71225 121686 69222 164642 222927 54547 2093027 113250 87312 86400 3122362 92416 3358458 2689787 153375 152698 3133883 372061 69451 83365 108469 3085085 3256882 104330 3590218 3657861 3684843 2686515 2573582 3515420 3815153 3246791 3485747 2980227 3851980 3488074 4114772 3174394 2500718 4096989 5764855 3594442 3244978 3500506 2968824 3634782 4266257 3070314 3878508 4411134 3735486 2448475 147359 2730694 54064 2693722 49533 416423 7640965 3838238 3727355 3029154 7436522 2640780 88959 7834825 127764 3073614 119051 417229 4772774 3960946 3007279 3164277 4081533 1780565 3287083 5009326 4179654 2994834 3604584 1879957 3531357 185020 85505 154718 79743 3701579 72123 397659 3044164 2931171 82716 2861742 4128374 3875632 3875314 1545840 2992304 2442034 1438246 2398192 9754212 9269918 10635559 250193 214978 247408 9907032 10614959 10150877 3446780 3827604 3594400 1845607 1205264 465767 9393651 10255423 10173620 776500 2597095 1372001 1959634 1991272 2127232 2522188 1172528 1075656 10906132 9894604 10650179 5153134 5046198 5139582 12150454 11502139 11885978 10767874 10317254 11508086 9904310 11335130 10007116 9733053 9881859 9563990 Phe-Ala 118680 148627 128373 118179 108992 149455 140319 183233 129480 137760 153604 116856 1024780 117258 115041 175892 1133242 1119238 102803 907902 116793 110114 136970 120444 128573 963202 859650 481815 122913 117733 522350 119349 127663 127351 130626 111617 124258 1151889 132683 1235666 126978 124147 131267 128702 1110069 1094806 141377 1054750 145293 113925 133136 112320 1169418 129496 121850 128199 128794 128570 133948 129358 473233 131128 126936 99936 1085326 122940 1072447 1030527 116810 141652 963978 191395 140685 131644 142304 996917 1128421 130249 1063578 1042325 757533 455369 462456 1014499 740905 510864 414799 525526 891890 444946 742120 666685 520149 998936 1487153 956152 116446 882268 597744 764927 829742 150374 391360 353489 142110 1084122 13192896 13012773 6241987 1029372 6324716 1102601 24681212 19796448 19377616 9370412 23885768 8700603 8990291 22482914 1409460 1233553 1432902 1012230 20838614 29763220 13754777 1256265 21486080 2058085 20396076 22284480 27715066 12541741 1557058 2247016 1297294 19151240 8534664 17676158 1466796 1220803 6079965 1053219 14008428 13443422 6475545 8749372 27861430 18686362 1551257 1847014 1136758 634135 660099 603950 478999 470188 535918 2887579 3018419 2985017 3453831 3424308 3315438 405990 413732 422700 570904 555877 542675 3589928 3661084 3575376 1643555 1405578 1341848 450409 455075 516608 813921 737752 769230 3770260 3969992 3898204 656342 629015 637058 4320426 3923960 4109441 3152154 3074174 3070864 3633285 3642098 3648540 3572454 3684802 3605960 Leu-Asn 848689 260304 1399419 189073 589822 339724 481406 1157874 1375324 1214426 1311796 1274934 9926437 366892 206986 1331408 10017377 10358266 352130 8203402 195745 1200996 363966 356283 1285220 7414744 10012745 1649016 307493 345237 1738742 447598 350729 222268 1174450 180930 1318970 11251823 287565 10639837 225286 384471 590373 313731 13060588 13530704 262591 12049366 174895 316330 320952 252606 11369969 286533 772484 381484 1175724 223121 309054 1435276 914094 323953 401966 285152 8995793 1347055 11137055 10723065 158921 1470679 8596001 439297 1115118 422205 1367905 11076106 11644024 255866 14460774 12972346 12206290 1777689 8853893 16056507 9789056 5464968 10259619 5949219 16140155 4602877 14001085 9173074 1899112 14705550 18142528 15213916 1341988 12814827 2022175 11213759 14496072 1315094 11110626 9798873 1239326 7314144 5818923 13336303 6129510 1653027 5289290 373148 35427676 18738758 19510632 9680530 35479508 9152943 8768458 33835948 2092564 3977756 2117605 401415 17295552 22434404 15286330 8529345 20311114 3147384 18280108 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6352184 11541266 5256840 5421514 9435250 5247569 L-Anserine 148948 118199 520461 184136 160402 169016 139794 596306 553268 714574 650586 548616 585362 143270 190244 747484 511975 476530 175372 531276 160935 477881 214033 147743 419223 498550 598781 612156 213033 166187 618422 179673 166377 154942 378204 169739 550765 598325 164140 591689 147029 183081 610270 155547 467717 564969 183008 537737 151182 188449 162092 173554 573256 158689 212697 189717 628994 168734 135684 681379 653763 204346 178039 132296 443526 645916 567866 556028 163365 760095 538020 159859 732129 189023 655222 530098 591287 192873 594722 556656 593652 923494 741222 756631 652200 873334 741703 1057827 707920 869900 673218 693594 795189 752487 803211 635167 828676 702894 910457 657379 790220 782754 633741 578140 845144 446247 432743 509433 715723 704997 853284 554556 593180 663307 550882 547107 561054 504907 852814 595387 868141 527787 753414 650949 585525 579223 578200 507712 561077 528162 589647 636875 609868 521027 591723 574441 894125 559254 886624 523721 858440 825044 921831 667600 463536 563870 924313 628967 655924 552341 646534 564099 565376 1840422 1887429 2058114 1858120 1921368 1718886 328737 328006 334632 2000952 1986145 1838167 1778588 1681509 1813405 1812630 1734555 1673474 1845874 1841881 1788972 2345118 2086249 1920418 1987922 1942434 1880751 1943355 2097823 1891970 1720658 2050126 1976102 1819880 1718663 1861272 1860586 2050107 1630392 1829243 1573258 1765285 1870807 1825507 1907883 1910340 1780674 1957321 5-Methyl-5,6-Dihydrouracil 40022 15641 31709 24054 18966 9085 0 4674 7149 11743 8122 69071 18754 15398 15228 10148 11431 7044 17735 9108 6327 44089 20482 11879 50070 7309 22146 17938 13618 39853 23070 11614 28346 10887 49170 43616 60646 22798 23920 31042 39752 6712 57786 13140 22985 19853 56466 30121 47558 9136 32778 31034 29055 29840 22128 42144 42544 42545 41312 43900 18976 28287 23079 43926 9973 49299 23627 20935 48044 34310 50953 69245 45633 9138 41776 40840 44145 15684 24432 24717 26414 282095 43894 46084 55337 324878 74452 345144 43762 295599 61403 50407 271040 59848 62055 48733 384885 69218 296313 27366 85629 322058 76820 77985 313093 258785 151445 151924 142764 197950 153308 201734 165554 235886 238676 212153 216284 277021 195588 223268 310115 194625 302700 301612 229038 223301 275635 269592 296884 283915 338184 260224 225044 249725 298908 324061 375751 294097 319589 328065 343408 364711 329926 373604 279128 242919 395931 248965 328667 254837 286549 355476 326730 123721 128464 132126 351829 325814 352223 156236 136779 148013 151511 145913 171050 160654 144524 149424 147121 159699 173996 127075 134993 158133 140028 137525 145164 131631 154512 175071 139598 151316 128860 155492 148148 144501 134920 152639 154776 135285 134281 142388 123998 161321 147695 129028 141521 136186 155732 134344 145183 D-Glucose 6-phosphate 48406 57251 99179 54704 53840 52297 50990 113605 96906 82406 107839 73360 116460 67945 68621 124534 138181 130355 53384 142108 64295 71330 67845 62430 72678 144516 109196 152528 54865 59673 142656 57351 58752 68564 66283 57403 75228 137423 61647 171549 71415 53104 76055 69338 119384 153767 75872 149532 69918 69222 50023 74214 144034 57468 68756 59557 101925 67486 65829 88954 142992 68040 62284 53692 121818 79180 135307 99028 67786 98434 130704 43241 119908 68746 110000 134260 138754 62673 184872 172957 152942 73937 164087 177599 166749 56883 154692 77317 161453 69371 142889 173860 70883 203616 214346 196655 64939 131982 76043 175803 169436 79033 163222 170480 76623 9315 9955 0 7108 2932 14035 8768 1139654 11943 8395 357465 1216942 39751 4517 1266318 4872 16119 6307 4029 17556 17303 27422 17094 15762 13260 18222 14856 14590 20733 20997 16241 10682 21020 7790 20086 8861 4940 6387 15240 4732 29124 3722 412422 7146 14657 13666 14917 23141 161548 160282 162920 141974 124194 125976 212569 210367 215051 211851 224573 177491 205359 190517 201195 226449 214615 199915 211353 230934 212399 242146 169883 140622 226072 219145 194184 146267 166345 139696 118679 158494 164220 203174 196986 185085 206940 244401 228498 187962 202815 187883 220734 212414 225360 261682 214172 223593 2-Methylquinolin-8-ol 965538 1173917 937760 1098532 1067716 1013479 563533 574532 626424 593234 295399 1043729 389539 512046 533357 837456 375111 547093 760002 444136 666394 799832 640982 768604 839171 761562 524152 705665 1102736 1190336 779016 1035979 1092884 1141291 1114413 1183943 1139618 852971 1100870 805730 1063176 1050444 1044928 991458 583363 663477 968131 675969 1028285 1151057 1229189 1175179 757702 986106 1118330 922029 939282 1106888 1105456 968550 986162 930135 1004198 988889 904373 955316 658367 587132 1279474 1092853 714631 1439313 997753 1064956 1159029 664782 640211 1116624 2038433 1671007 1088733 2623603 1206871 1976602 1276048 3176538 1166330 3038732 1970599 2909714 2085738 1300886 2180019 2189376 2200544 1898648 2839026 1779959 2298878 1018085 1603466 2609026 1054643 1031354 2678552 689955 281704 294964 182844 311163 571499 441141 585432 246614 332179 493732 437206 496015 506728 470829 544703 480691 561388 629525 293034 568380 502817 384457 463669 472716 313539 300734 302960 419102 358759 341914 632362 447755 451486 361652 368079 654024 503127 435901 343444 448513 467088 439551 402910 495890 420175 262833 398282 1107420 1196577 1077934 1527065 1629377 1360098 1140820 1055288 1176985 1041880 1135546 1134725 1255825 1196732 1256601 1248014 1182590 1267182 1099347 984807 1062201 1677133 1226798 1072763 1142642 1174484 1267666 1075142 1250357 1177540 1185955 1269627 1242314 1007226 1006106 1053880 1156983 1191063 1082986 998241 981223 996517 1113194 1125022 1036533 1424204 1546048 1683682 2'-Deoxycytidine 5'-monophosphate 0 0 0 0 0 0 0 0 0 0 0 0 26872 0 0 0 26271 22701 0 26806 0 0 0 0 0 28917 31484 6692 0 0 0 0 0 0 0 0 0 36832 0 28528 0 0 0 5031 33801 34914 0 35562 0 0 0 0 32855 0 0 0 0 0 0 0 5258 0 0 0 29199 0 35545 28328 0 0 18146 0 0 0 0 35805 29865 0 33760 35662 125373 0 69379 68165 112474 0 176918 0 42005 0 18200 94651 0 51971 289373 48172 0 23266 0 131907 14786 0 158168 147376 0 39734 0 45599 54358 0 0 0 18383 46514 52428 0 10282 0 59001 18358 0 51094 0 0 0 0 0 0 47996 0 0 0 0 8973 4393 0 0 0 60676 0 0 0 0 0 33142 9550 0 0 0 63366 0 0 46857 172625 25047 166408 0 0 0 95142 88508 106469 160136 161082 144818 18580 17886 9757 128022 98263 9404 18905 128377 122763 211899 137880 118959 135929 118685 27481 186710 166762 10516 13462 7707 11442 23572 42310 23031 8608 21825 11844 56648 54908 28001 129617 108022 113303 121998 116574 117558 Leu-Glu 8633508 1788254 9405244 1525090 9803801 5428435 1884594 13165605 12983732 10087408 13203855 10560238 11273921 2322836 2727130 11634923 15354272 15854141 2391844 14911178 1938944 9196231 4848052 6794396 8999671 14701692 13107971 14901839 3894376 2154842 14997088 6073426 5477882 1735381 11285488 1677212 10527578 14685782 3973224 15699958 1581333 6548761 8555200 5711969 14953786 16976236 3312118 15570530 1342063 4788992 1784064 2350255 14273741 4166934 10625458 6356866 10370432 1691048 1971360 10242246 14234792 4971510 8547060 4044360 12218931 11495610 15180756 10727288 1273460 12092642 13031040 2997156 9817319 7735225 11138491 15262041 14477432 3197917 25298872 24747020 23693410 12038797 22699218 29687410 27344208 21034554 21725998 18876762 27163768 18791800 26118308 26582938 10424468 35535632 48405472 28778520 14353383 22843660 12806142 20272164 25544802 13582794 26024040 29569726 16473334 10857747 12154790 12181475 13180668 12213285 21727078 15270125 69436424 16734815 16995298 18180128 64645788 17516378 17229212 62729372 11472073 11093787 12455059 16496075 17659428 19677816 25561088 13939043 18726124 18050348 16840206 18607774 17928318 23074708 16219622 18862378 17550888 17010514 17760060 16740800 13917643 16799016 21239330 15847138 12471127 23489402 21620332 18416832 18022846 17531448 15961380 15070134 12128452 40642064 41996184 36706208 44619568 46667976 42286616 52137836 57566900 50511072 60078704 57590312 57541612 12016573 13426893 11912463 19233102 19444680 19306616 53342032 56072024 60857944 58054668 46813296 41782344 37696840 36968184 37777828 20195552 18831294 19543472 62052632 62562908 58349264 46073144 43519984 45511616 55881800 54623352 58065408 54239988 53002652 54531500 51620664 55499100 58229572 55001220 52538300 52707396 Diprotin B 2191862 2181615 5096116 1565338 2274902 1936846 2404878 5384615 4037806 4256576 5126425 3672920 6267096 2102350 1579449 4872304 4519947 6110314 1537706 5578902 1319388 2331682 1793781 1662752 2754554 5020118 4962740 6336430 1811466 2301317 5067254 2495699 2006263 1795810 3315019 1845062 3700164 6753480 2144288 6358318 1983083 2162850 3400070 2120362 6945604 7226082 1973746 6715619 1678472 1815650 2611262 1558054 5915462 1884210 2809521 1930588 4343134 1489238 1666286 3288860 5695006 1435869 2249171 1909144 6501506 4464602 6186028 6486036 1783376 5491784 5868165 3105134 5024052 2121257 5621843 5586256 6408862 1945068 5867907 7820134 5987851 4519656 5992574 5971188 5475676 4934214 6321700 5286448 5458906 5672996 6329106 5869612 4800360 6575244 8822306 5643202 6867728 6249888 4388282 5241525 6142688 6718993 4914528 4861016 7413450 7592732 6780360 5997738 7467618 7351914 9746295 7250897 6982374 10930414 11384718 3005743 7114973 2620608 10501934 6342224 9453975 9442649 9166493 7167069 10980726 11715054 7399840 11185712 11814469 1593507 12145160 11580551 10839097 6788645 11355124 1813297 11151505 11873787 10691271 10146765 9099217 11728402 10057153 6727986 7473439 7020091 9956834 2629605 11649864 11317513 11428560 1428001 9451145 12753873 13075802 11703501 12635177 12090488 11904003 12730239 12306782 13082227 13268079 13659212 13660291 14212462 15007920 14821451 11285010 11202268 12583696 13604873 13715470 14208813 18943456 12129191 12135132 3555192 3680158 3688659 15808416 16469358 15687909 14363300 13517921 12956431 7558862 7974686 7790054 14273063 13933197 14802628 10672224 11118228 10649056 13023122 13823781 13118153 12810709 13026230 12864328 Pyridoxamine 2421548 2476926 2559488 2177127 2461488 2255295 2737808 2907320 2502008 2578334 2574326 2844715 3344790 2659313 2440638 2640886 3462094 3164138 2304054 2993414 2163304 2818818 2349016 2303836 2544125 3107074 3268144 2961735 2260645 2719668 2919251 2357570 2144406 2104561 2473270 2509714 2801911 3218052 2332037 3203949 2368925 2338578 2702262 2338087 2604132 3237480 2429820 3178800 2170190 2385756 2644253 2221926 3199712 2211511 2669966 2023694 2663993 2395060 2661460 2595044 2928056 2173088 2252605 2080380 3048096 2595230 2979862 3241708 2286306 2864405 3073043 3008566 2232732 2492388 2840336 3044452 3198032 2388846 3384713 3496378 3572814 6001948 4857453 3869088 4126566 5368438 3736213 4598715 3668707 5598069 3848867 4217592 6233943 4432782 5378448 3957610 5389129 3830903 6023670 3787526 3743418 5514724 4039251 4193036 4905293 886557 939569 1268243 1716112 2122205 1799779 2417065 3308755 2299794 1606410 3634101 3454507 3529141 2097372 3438997 2212278 889426 2128678 2639154 1728573 2024616 3546880 1226392 2550355 4438483 1730046 1848104 1932906 3562158 1364493 4508970 2692760 1178163 2258252 1258421 2273648 2678972 2074433 2732535 2263620 3566746 2163146 3883333 2000037 1875554 1384982 4098294 873964 3099589 3295521 3140083 5123992 5109343 5340718 1987309 1790992 1755756 4625116 4426540 4353242 1348468 1238924 1348536 362729 1076432 1088393 1171106 114749 103210 3670621 3007158 3119012 1216202 1150723 1260456 1903455 1720827 1903541 2316173 2329300 2275837 6702536 6636198 6855293 3828565 3770920 3938376 4911498 4670762 5061890 3965092 4268870 4166800 4097483 4421440 4086176 Cytidine 2',3'-cyclic monophosphoric acid 4908 0 0 0 0 5925 0 40082 38932 0 32208 0 3361193 0 0 63834 3426768 4268572 0 4023698 0 0 7052 0 4560 3999304 3848564 1692446 5700 0 1375072 0 4311 0 0 0 0 4714810 6801 4048224 0 0 0 4481 4169802 4155788 0 4089864 0 8265 0 0 4904650 5515 0 0 0 0 0 0 1530801 10197 0 5153 3517920 0 3663669 3395572 0 0 3340812 0 0 6020 0 4396997 4104825 9523 5013776 4942320 5360116 7998 4430042 5066182 4739407 0 2904231 0 4456322 0 3136446 4737932 12984 5958942 8510314 5272571 0 2421142 8128 5127051 3089412 0 2962330 3045572 0 1725715 1574678 1461835 1706250 6605 46845 470398 1054545 1958090 1929404 636388 1027918 514142 1950909 895519 275912 2218876 175193 491670 1893983 1629042 2229687 1809956 2201427 32036 1707619 1857267 1656016 2263603 1998375 40246 0 2130062 2172174 1927368 50895 0 69029 494758 1389844 2352856 45074 603569 1860440 2126197 2150621 48692 2206161 8066776 7865432 7466571 9716 0 0 7949692 9101525 8890397 8370756 7829278 7353772 7121778 7390543 7464344 8196694 7939460 8108600 8005695 7853225 7883663 10147462 7617258 7927634 8598953 8017891 8802091 8193362 7610821 7465893 6104772 6775337 6768384 6173913 6244909 5875522 7035754 7702653 7528259 6792362 7272124 7293404 8175960 7953557 7622232 7581616 7629968 7504638 Asn-Arg 52098 31196 84087 28043 60772 33818 14395 194797 115017 105313 155860 103065 1177877 30639 26796 161250 1104390 1041699 28888 1073514 25782 77959 37984 33408 93088 966136 1153315 678158 29867 23634 621094 43121 37763 29673 90726 28691 105584 986531 33073 1220470 21819 49346 111172 28162 1285533 1166934 30705 1330324 29573 38699 23462 33438 1299104 39424 74908 38120 96052 30776 30312 102577 606283 38648 38433 29864 1022768 135890 1307790 1287684 32098 137643 1310785 24429 108986 47185 109169 1414839 1360575 40553 1225529 1387590 1328771 702870 1134444 1319340 1507226 568343 1153046 630707 1142673 656749 1203654 1300815 843803 1409302 1319234 1477102 90101 1085628 890423 1332633 1161642 92770 1403681 1100566 97137 732358 567243 1219937 595506 338161 498299 447949 3482002 1934902 1817614 838882 3492518 823066 734641 3337953 175171 964104 192865 451627 3984466 2217186 2673170 1687483 1925558 1003298 4032776 4147624 2161815 2642686 1700360 1000950 381072 968570 717220 960600 217376 392353 523717 422512 1579075 2565958 506674 861310 2195316 1871308 1684374 1005506 935324 836662 773933 811027 340544 333587 320432 1889297 2130812 2131976 3369891 3381639 2894706 2391548 2450205 2373424 1119176 1021975 999274 3436299 3592546 3452971 230102 193703 181767 838190 916714 816758 1089971 1031227 1000152 3449884 3578788 3699099 1097948 1035165 1038907 4925035 4905029 4448076 2503352 2711546 2642845 3378292 3309732 3471146 3321914 3269170 3586707 N1,N12-Diacetylspermine 226060 465458 197504 261954 179792 232813 522322 148298 165706 239698 160284 222299 37877 688298 267869 169952 29064 71169 285416 63350 272646 187431 236570 241195 185940 76745 20558 104579 236367 650740 114533 233960 215976 310674 226591 386817 201651 39890 280012 53036 482747 224925 167377 223801 42377 44566 249161 29201 351017 251701 565781 287363 44159 253087 166584 212397 200332 473033 599109 196522 99333 268222 232917 229780 69614 186233 38796 39291 382579 169960 27384 808113 221394 264876 182866 35728 44265 236974 31968 38923 35644 35045 46647 43911 44059 56078 37949 42842 24552 40592 51533 38020 40881 49346 79388 49791 45971 58873 53384 36450 44149 41327 55402 33359 37176 1915950 18690 11239 36814 5356 72029 240570 12659 0 18361 25181 19473 9941 45872 0 14677 2045694 29071 216211 29799 1105225 19185 37380 18268 20681 27830 20679 1406690 26239 9764 12890 8977 27320 37239 54225 11108 10226 68725 206170 10668 23143 53604 21869 1399516 8117 34020 18976 2009448 489676 562914 508181 63242 43681 47907 123966 122453 137067 66666 58445 47039 67080 64143 44003 2015936 1975987 1894269 53102 28055 40334 143330 128417 114975 95742 100651 113640 223186 247897 212281 648278 626087 673707 52548 65180 63122 104123 53892 70776 53839 41727 36035 35790 54964 35723 47904 43580 30695 Histamine 17670178 18203562 17308672 13951742 20515350 17967888 13822360 14286879 15763256 18306040 14777824 19576908 13890851 15224626 14720057 13726410 12757554 13316458 16426305 13894243 14478165 20053722 20289866 19226198 19522542 13993466 14276356 13638667 18973972 16066626 14317188 19949066 18930720 15452007 19701626 15065461 19644444 13259507 19093690 13261062 17122710 21045600 19532886 20488606 12488812 13140330 18727072 12430424 14725304 21276538 16890024 16601074 12588192 19724052 19603126 21132134 16455654 15740810 16518697 19216438 13612682 18129542 19569202 17967820 13632113 18222114 12761994 11984564 14429980 15374281 13865032 15637696 16283336 20697548 16041572 14449511 13565956 18419226 14554012 13143297 14582418 34698020 13697887 15520945 14270332 35401292 17426306 36627332 13418041 35867124 16203517 14052870 37517848 15662931 16597106 15223981 27212180 16553692 35351264 14877849 17853340 27839420 15060537 16180606 26096470 3020548 4708906 4219344 7470324 29577512 164694768 21057670 6019317 5734105 5410780 6753530 6413930 6877828 9225175 6485960 68055312 3628918 73767016 21689194 6110013 6524899 6516878 6170552 5680878 9258904 6036298 5948782 6358864 6490182 6158334 9149943 36325892 5921246 8563416 5950114 108791376 36269852 171942704 21894900 4984272 6496084 160674336 6900118 6290786 5546099 6335458 8996083 4003924 49663308 52124556 48674184 59003976 61987192 60781060 46171400 46251604 45673248 44184056 44123344 39948616 48836948 46345064 49974620 40818592 40296508 41879668 40106108 40101504 41494488 62545268 51181056 50913772 46762788 45723132 45728844 46005620 48564600 47863112 46015972 44417948 45604052 53305928 53583968 52334516 44205964 41282320 43153668 38049768 38488236 39711368 40370984 43034604 42310660 43471180 42209412 42125908 Lys-Lys 79501 13859 476710 51151 17304 4984 5382 1143266 906433 329765 1037382 200517 1659719 98983 17387 1132862 1773295 1921634 117802 1973202 111489 104918 83766 27034 121728 1801996 2089901 1653634 122133 25765 1504353 105232 26645 78425 111372 19124 162861 1806484 125658 1760863 120204 23547 183526 20654 1922408 2010503 114757 2159476 119305 31160 34660 15701 2040877 135328 32221 87234 570407 49075 16126 335016 1663436 121761 18444 30348 1977538 472407 1860309 2069431 133280 882856 2175557 136547 668396 52467 896074 1963536 2250581 93370 2165056 2242580 2349522 1907806 1784076 1849171 2836125 2122522 2708389 2303003 2219224 2045709 2177815 2661677 2119162 2214753 3032512 2330606 1991814 2009067 2501498 2328404 2353520 2019741 2753498 2736631 1942630 1692989 814988 690692 793476 2827631 4780926 3453708 10025880 3443285 3144394 5775000 10262249 5587828 941112 9295434 848558 3635084 803242 3507328 74114 3480871 5920727 2858950 3846857 2001568 57252 26220 3332932 5761352 3228592 2181214 3796454 3595006 937243 3379528 842127 4143522 5044328 3602415 2191911 5990668 5417897 6064073 3207037 3364748 3288572 1940521 3552459 4100878 3420586 3883889 4635229 4643366 4292796 4908914 5204831 5332368 4971117 5365984 3891810 4342417 3937920 3979098 5309530 4533138 3691892 5315199 5521167 5033687 4734770 3585046 3200024 4900758 5200304 4050556 4151184 4197087 3657156 3809526 5616402 5125280 1659277 1574696 1483373 168443 184267 177577 4687446 4582554 4816486 5300186 4833220 5394289 5588026 4865785 5437758 N,N-Dimethylarginine 13118657 21688050 14626557 22520380 14955013 14236260 27334532 12817352 16018041 13055145 14889471 12656990 14060536 28485564 21359356 14321390 14976991 14218146 18652666 14941820 21056138 12817512 20177424 14158705 12545532 14103204 13558942 15219437 18423220 25548598 15821322 16541925 16852370 21368442 12691029 24002464 15416390 13130434 19576918 14053618 22591518 16657409 13382890 14305392 14318447 15408794 17957902 13322585 25518270 18977512 29472196 21824194 14201782 17228854 14464556 14699729 15838589 29127026 27702674 14679409 14515710 16252915 15983670 15474187 12099720 14571889 16431061 14919470 26270788 17183530 13131065 34128292 16269411 17368752 15966249 13197104 14471564 20261820 15326068 17951118 18760612 18003874 18255584 20285060 15834745 15779677 20889936 18621058 16995600 17847166 19554306 17086076 21865708 24636852 26757192 16013447 17827854 19176260 22647406 17529492 17287660 18038732 18093144 21134706 16774909 14258840 12511331 12442062 14880741 14120619 15988635 16914930 22693940 15318862 16276765 22079672 22312644 21135786 17098296 22144824 18275628 17624242 18322410 16981146 17886826 18068060 20057462 17279632 16412536 36388892 18783202 19299246 16797710 20748496 16777422 37912916 16861170 16951428 16938560 16879590 18665542 17545854 17566306 18125734 14710923 20963310 18471660 22038336 17610490 15908993 18624196 35070020 17738364 44109812 44614452 44937996 44281752 43330336 45324428 53717180 51823016 53233928 58128392 57284292 58031564 58550496 56219632 57781744 45885056 46135136 45844404 54428884 53676704 54492972 64560228 52605744 52300788 56497948 53158688 58676708 45575344 44653380 47271880 47020012 47728860 46826148 83754152 84435232 83146144 61671492 61320716 61217156 61065040 55295444 57332664 51532060 55004248 54269252 51406456 55357884 53956960 Guanosine 47250 0 112379 15838 32584 0 0 53700 196798 67167 73052 59813 6147360 0 0 128546 6495036 5859898 0 4334478 0 52164 0 0 53822 4292686 4814150 0 0 7210 37704 0 24118 0 87899 0 74137 5440142 14969 5541876 0 0 65920 4066 6109050 5568039 0 4963026 0 9385 0 0 6013803 0 18611 0 89376 4442 15592 131386 34683 48653 4326 18420 4149636 104035 6847962 5736083 5998 130857 5585378 7867 49342 0 84066 5584520 6360156 0 6213516 6867062 8042248 111271 10871049 7225834 12442431 891645 8939566 829490 7528924 715417 6348548 11598307 199783 8036696 18174194 7347040 0 6566718 106499 9721960 7798350 16260 8912728 10061998 0 0 1681223 801496 0 0 0 0 2753934 2218645 1519837 1052062 2725732 911567 0 2357116 0 0 0 0 6099554 10118 708251 60195 2816564 72900 5937681 6314738 0 770101 0 0 0 2489570 47677 2418110 0 0 0 0 1652701 708908 0 916767 0 1852548 0 0 0 0 12014 0 0 22147 0 11578880 10745479 11848276 18868178 19175110 19319686 18398 24058 32593 3742895 3933820 4527757 14861279 14524888 15050292 0 32125 10470 22498948 23008044 26453334 22957438 22893430 23558668 0 0 0 20251972 21434932 20731884 42966792 44109848 46212312 28091838 30051166 27153132 14804283 14294778 14230159 14267441 15241474 14519066 Methacholine cation 32554400 91198336 6311193 82606464 31991050 63687984 103861032 6004511 6903418 7447026 7145636 7938858 5699401 104782360 72889504 6550168 5520706 6327807 75775888 6547330 85307520 10496322 81572832 67265560 11133326 6737531 5975404 6855416 75674536 100816768 7131032 63969348 73300888 81815640 9325796 86578928 7752004 7210588 79588880 6695348 89328488 65424856 8055026 60831424 6429107 7335599 76216632 6305351 83396008 68604200 97433440 72507368 6543491 62146192 35540508 68570000 6840927 96740304 99879544 7797924 7008515 75083472 73966472 61195872 6667035 7522294 5735388 6160746 82043976 6493100 5985973 119081832 6836616 65905260 7373122 6815248 6347161 81112968 8003050 8316022 8622380 8316548 8884080 9319518 8011238 7865830 9152169 8359456 7236789 8708882 8544475 8353734 9058122 9895213 18150324 8199462 7573316 8410292 8667774 8054928 8031530 8687914 7793640 8770938 9240480 127195304 13043637 9199237 15857993 14263824 18091928 21401384 20341466 19744616 12188259 22608354 20076010 20510884 20993006 18911310 13075501 160712944 11625870 20835370 11273825 20229740 20827812 20597166 20565270 21691488 11551898 11927544 19150020 19760954 20166350 22710910 19178960 18846638 20324024 17693858 11446948 19997130 17437756 19820002 14874243 19166148 17726222 20673220 20181826 11602195 21072732 19567772 146670496 11411295 11584668 11581987 10734616 10467274 10686482 9429502 9033534 9335361 12100612 12178919 12182011 11627805 12247793 12147199 14029017 14369685 13799607 5012968 4951028 5048812 10615025 8129612 8254644 4354704 4267664 4917820 10410278 11336048 11074628 13295079 12651467 13004871 12091982 12347104 12645266 10885755 10425107 10163060 12171752 12099983 11716644 11247031 12310093 12002340 11161802 11016027 11424901 Lys-Gln 29516 56575 988418 58711 24787 75361 44594 1097003 1126330 772404 1257016 411006 3716410 51384 66351 1317019 3362591 2718422 67489 3162188 58034 27839 80101 33357 35192 2482242 3558870 2350474 66810 51706 2285672 27137 85246 61449 23295 45199 439545 2804946 90792 3282366 54541 28110 433452 97038 3739889 3563484 69418 3653698 44766 90126 50368 69860 3732938 94066 25119 89336 1062398 45056 41525 707643 2482720 77856 29468 68842 3131164 786808 3645976 3526359 52646 1269754 3595968 57575 1044921 28845 1224478 3624898 3864072 78562 3408981 4349086 4038744 2916850 3817173 4149148 4750441 3517341 4420274 3923215 3338504 3705105 3820017 4355697 3605304 4654667 5312220 4800357 3710865 3468197 3590326 4150012 3456964 3795274 4714997 3658824 3772012 2962105 1971986 2155207 1690809 3270063 3516077 2132110 15129907 3905586 3865821 3239398 14708634 3349036 1991938 14342190 3200822 3679847 3054838 2004448 992891 3878307 5848218 2992647 4050698 3925400 962928 956226 3808974 5744947 3050263 3949093 3868437 3579900 2084048 3218122 3240566 3885853 3252736 1997144 3136836 5647142 3374954 3132703 3991936 3742086 3002202 3800920 3688170 2978428 2735046 2936966 10564413 10235170 10090921 10257609 11069927 10217056 12433443 12206672 10321107 4676540 4712199 4498550 12089663 11373064 11078344 12054079 12646495 11703259 6724388 6438490 6026562 649613 685031 562524 3601909 3159628 3247601 11679759 12894983 12720609 3981028 3680574 3679912 720662 708766 682554 12516063 13253134 12834635 12753216 12242973 11708524 12323363 11451315 12736819 Val-Asp 402895 424792 378804 407105 390696 408152 461744 400253 456722 414866 393724 429972 4572012 462843 390272 426270 5552629 5491762 442993 3796946 460831 429834 442255 398410 424594 3723187 4914212 468850 418606 439364 408832 411518 426044 428403 416659 422582 406381 4968852 364317 5890266 421608 443689 430304 431253 5768150 6357471 383479 5802916 422521 403541 472693 415234 5627984 428244 421483 434134 386238 421294 451088 425532 418849 394849 392626 413847 3533896 421174 5100486 5157088 434601 424362 4367466 494414 427869 438999 181904 5733372 4897050 409808 7960004 7372514 7072890 1125874 7015148 9558063 7068434 3549410 6966322 4246790 9119055 4165255 6947060 6168096 1292058 10123871 12871194 8815898 401370 6884106 1413850 6458180 8277922 433774 6783124 7155618 407607 6770013 6152362 6465617 7331150 507656 343847 192583 24717942 8995982 9661336 8161217 22281572 8002933 10396001 20749116 258403 8109125 230415 208244 10363680 9860148 8036776 8322122 8675481 5485147 10286195 11098909 8687193 7961332 9076272 5975178 1765688 9168168 9198901 8370553 56111 1646120 327072 184032 6538874 8094306 336989 8372012 9129651 9440095 8938476 4983960 8425040 12771777 13365202 13115821 371660 336002 376774 15614123 15214472 15170245 15152476 17281612 15875155 4101114 4405803 4166522 12256416 11904811 11315487 16139702 16544259 17358912 22136152 15749364 16032422 729782 716561 722474 7134248 7480094 7403957 17437202 17927282 17492130 11080131 11344765 11112201 18327182 17280868 17381800 13486657 11809430 12702574 15823731 16265546 16554544 15087005 14130112 15912178 L-Pyroglutamic acid 94185 0 280854 0 105702 13184 0 454872 252118 292069 413195 331588 1405362 0 0 444188 1511318 1537840 0 1467888 0 328193 5857 6612 241465 1353180 1693033 1295528 4656 5192 1341478 6312 0 0 249346 0 285205 1849457 4609 1904159 0 5647 245924 6344 1524790 1942467 0 1765373 0 6019 0 0 1659960 0 107413 7513 267417 0 6443 328015 1207628 4524 10849 11676 1505257 326035 1507661 1754316 0 223257 1493633 0 226901 13687 234727 1643179 1566359 0 2647528 1906890 2335550 2630048 2181361 3050318 2533691 2642364 2432471 2628997 2275580 2266310 2719910 2770686 2674022 3042446 4493040 2746666 2534668 2129393 2678366 2312002 2407866 2833917 2345769 2418592 2427847 35693 832488 749038 38990 828799 492073 1192814 1717774 1013441 1079146 1580169 1424891 1355085 69315 1360799 294647 15326 236418 1103143 1101553 1078812 1163552 1031303 986194 1560600 1138923 1216070 1151559 1096365 1041363 1679898 1020404 992358 73878 971349 171870 925472 390454 1089780 773985 1086947 477462 1362759 991178 961557 1102852 1812671 23963 220276 222394 211437 9252549 8331430 10249287 9630129 8908769 9417272 8506314 9596131 9656470 9329007 9859993 9403790 642077 546071 537894 9624242 9041962 9464410 213635 188101 193387 9913915 9948233 9651923 108045 128067 104111 9760980 9293110 9116953 10791024 9420977 9728476 9523165 10321617 9177114 8751576 9265699 9918760 8732433 9243271 9526235 9393225 8477351 8962674 Arginine 2256172 387625 2981576 323102 2426640 560784 383306 3460610 14481089 2193893 3334368 2974611 338194432 832871 381076 11481373 418733440 463695104 1058794 484861856 1042608 2434855 1091242 860805 2559563 486343808 446882624 430862016 1302023 508852 453481760 1756624 689876 1196585 2638712 384202 2568572 439240512 1286276 463566432 1056791 994978 2485418 1020443 456423936 543598272 1405530 452335904 1090623 496535 568484 494688 515207840 1456082 2150551 1535872 2697398 412423 338665 2867196 502379936 1179704 1181701 613777 451451072 3631609 486792800 441243168 1320358 3432164 424937568 1433592 3263449 1190679 3658777 472700896 459882176 1430106 610827456 532499360 511778240 155150064 553153344 555227776 596185216 57877336 522027808 54463124 583336640 58683960 527076928 633547520 152631424 725122496 877994304 589283072 5676304 543116672 157115376 561598592 542970688 4751663 611406592 557976640 5245602 1662360960 1339325696 1275141248 7371378 12794318 9408544 2128295296 2080080768 2009322624 1999556992 2174620672 2141255552 2120712576 9286017 2060230528 4661480 1975834112 6422366 2094913536 1985811840 2062571648 2080163456 1949881728 2038398336 2216372736 1951666688 2104471680 1979901568 2126015872 2078178560 2316992512 15679302 2018777088 11117332 2058357888 8994230 15908739 11578926 2104593408 1563842688 2064223360 14515705 2188417792 2058777216 1972973056 2069062016 2167846400 1994413952 15031596 11959104 13651091 16862660 12905294 13567534 1334096768 1371662720 1426298624 1380806400 1441718528 1335039744 1419961344 1349777408 1319477248 1361353600 1373890688 1337411840 1350297216 1361568896 1358392832 9479826 7551790 8800784 1462705536 1462685568 1468380160 22122132 21800536 17909998 1339576448 1405011200 1372659328 1658325248 1656648960 1634779520 1561805440 1539394176 1494903040 1380025856 1375509888 1479191808 1395180416 1356625792 1352816384 1378402176 1325706624 1404818432 Choline cation 245859 39576412 2001871232 11955973 2726961 996838 59608476 2152555264 2128210560 1127805056 2050693120 80825400 1410335360 58343160 3880168 2058958848 1442177152 1582206592 4650201 1596770816 11664623 755047 1546043 2053938 655383 1540957952 1315057792 1924639744 1560184 47683460 1999587456 2282627 1481398 11507133 836859 18161596 46008640 1529801984 1119969 1554837120 37816668 1980522 63719368 3260793 1446958208 1552491648 1327924 1549625344 19269640 1075634 47644028 4409105 1473340800 2044060 456401 1774058 2101333120 35785444 49772052 1099974400 2022555136 1430998 2149964 1296207 1563710848 1213177344 1446898176 1364008960 19390812 2090776448 1412453120 71214720 1921896320 2550548 2141275904 1492138112 1484863744 1903247 1668051072 1721153024 1874371328 1194203392 1936393600 1943817088 1993619968 1064197696 2264402688 1080220672 1777909888 975440896 2356516096 1912407424 1134822912 1960402304 2401931008 1786547456 12737057 2208479488 1133874560 1769910656 2193991424 16720374 2176164864 2103245696 27503596 2318004992 2653219328 2088537472 2375270144 747409152 4604868096 4687480832 3452885248 2942596608 2800462592 3414013440 3413827840 3432941824 3057736960 3404847104 4336611840 2896242432 4323333632 4613540864 2836364800 15542933 3086526464 2763247104 2894970624 3418852096 2799443200 2885988864 13610435 3042843136 2937051904 3500299264 1029721984 3056263168 2846878208 3083922176 4167730432 926542528 4157856256 4399219712 2407974144 2872484864 4083916288 3120313088 25048108 2520362496 2695768064 3143116288 2471929856 2560293376 2483346688 2500300288 49031532 1299726 48127428 2805092352 1311124 2768289792 2607974144 2556939008 2600817920 2375392000 2429247744 2430622208 2367158528 2408508672 2454536448 2275714304 2259572224 2328627968 2818104576 2545910272 2511026944 2494120448 2476846336 2579703296 2531072768 2554155520 2489784576 10271620 31385398 12514960 2811040000 2796992000 2786114816 1092400 1186682 2462506752 2750662656 2654658816 2759639552 2486461952 2500609536 1062492 2436597760 2383826176 2505956352 Phe-His 94820 60219 241121 66519 78894 57191 65992 225964 249973 240963 241688 212375 317283 59522 50701 261997 314629 332634 55047 436216 73223 199223 83930 29007 166355 325274 341309 324944 58639 81953 296150 45241 54078 62869 194395 73881 214820 359283 71415 396203 60941 65385 210269 55654 402672 382338 65019 390153 70544 74332 65686 71279 376583 56295 95480 38738 259924 59889 37477 218447 314267 67128 29181 78196 355851 214213 387843 329902 70181 243190 380880 69759 282469 54813 302234 329476 368705 71972 352037 442671 248760 631155 248784 344923 222160 518706 147542 546973 363871 535685 500417 216432 620307 361257 572710 413352 124927 511795 766573 258767 467936 98353 133759 132973 117191 946719 442823 2130374 995004 2017372 6546922 2012180 10914226 2728356 2833729 6969912 11388445 6618607 1462742 10722621 1939566 1239250 1837672 2212454 3140902 6564369 8279090 2263748 2994016 1367151 3084469 3135318 6644716 7609613 2624228 762837 2507593 504644 1569562 546466 2093724 2499609 6099028 2164321 2134312 8173659 6894084 7109657 6798176 2640886 2317732 768308 1084073 407130 337348 13485 906001 823023 899478 151802 10996 217225 1065682 1003809 1030579 184664 10530 184158 32915 20518 20321 1049336 1094351 1118775 352837 266192 286091 16267 10936 20707 404417 333722 415537 1837704 1719309 1862909 45875 38641 69215 1194361 1229508 1257246 15738 1071070 1079341 1133069 1036957 1106244 1162619 1010306 982707 Acetylcholine cation 174668 223706 161370 241021 206985 214105 198924 102622 107140 147068 127059 181081 134752 172052 171586 112984 164869 149951 195922 137377 162397 157577 195731 190868 185403 155552 203862 234110 313702 399242 315206 366705 354401 392410 344030 434753 385068 422378 401906 511878 459278 387612 420762 353175 480155 453543 407621 445241 495934 420766 493323 492774 470154 386152 406333 330929 330972 477822 449181 315517 469703 358718 372208 391128 552063 447794 671555 555295 560776 498724 546560 854134 508967 473352 494188 742875 721786 557351 1106383 1131570 1014579 932633 1325954 1144314 1330410 986812 1259940 984539 1207614 988478 1415785 1467438 981841 2041562 4240154 1518674 803369 1263222 1160449 1404520 1607577 908654 1594673 1611689 953784 1754894 886223 839586 1784246 733625 1255129 1588308 4424539 1604834 1780434 3752638 4451978 3476250 1570156 4174382 1218970 2022989 1172443 1673495 2109489 2705749 2666188 1610606 2187776 4141530 2215228 2333132 2421781 2710922 1595272 4596508 1221502 2147628 1969776 2066015 1180047 1133859 1281319 1627200 1422564 2893546 1262139 3695415 2797168 2457686 1817006 3716728 2014980 1874357 840846 1705189 1060420 964702 470173 843717 1902984 1589829 808957 1736892 323908 741315 395740 387144 1868843 687450 546377 2157851 2132722 1718535 2228878 1690357 825442 1904505 2048526 1054414 2256126 1833053 1066830 496983 2297415 1939261 2081790 1769492 1503329 1228613 2125831 594075 977468 898119 1078613 1650868 832800 1839946 2074477 1158055 2086892 Adenosine 111596 0 99076 0 217806 81418 0 100280 3071527 106959 93848 115297 156028528 0 0 2496557 168136480 169200976 0 83577240 0 82879 57603 26946 85154 62870448 164086528 84677 15908 0 65371 85006 87546 10925 146091 0 130285 191042976 78185 178730432 9758 80272 85719 60464 194404448 175060608 15529 195799968 11383 103757 7843 0 208661424 119927 104933 84449 111004 0 0 98012 82560 73361 62756 91955 85407344 116311 193468224 207208416 10710 143042 156270032 0 100141 60324 131876 197085248 222438592 60874 161887344 174980912 192906368 10204430 87291504 105237872 170665024 10902637 253909136 9508559 147093440 9744318 152421664 153245840 9006614 101573144 242583776 111469448 69247 146170592 7631191 179439920 154161072 38114 207342080 248070896 45878 589082 328878 53071400 189880 214948 238385 1391943 24233158 99531624 70102368 4312882 21733502 4209613 87498 19540370 104424 250319 357433 1710867 22810858 131504 12401240 1194987 106347144 1292634 16209028 24268358 89744 11309688 401012 1195766 223459 523069 273697 523051 225001 125689 345317 1692354 82932064 11624163 291201 4312587 135969 71298680 930766 1053030 255177 192943 165424 196792 754979 439745 467998 1599053 1556869 1861380 412816704 432218976 390518464 401852 379919 86163 575492 531428 339982 382567616 377917984 377646272 356226 631275 700014 233888448 233881888 223306496 112374568 115948640 102418720 340916 523561 451898 6229654 6235922 5333790 421636608 431449728 408985280 239224720 253343248 252455072 454867712 440688000 448451968 353331840 332307712 360643072 5,6-Dihydrouracil 2657914 2455266 2742604 2182206 2770120 2436058 2610710 683943 763498 812875 706924 2178162 864722 2450342 1374489 839674 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2857025 2678500 3031528 2272984 2694280 2606966 2619486 2644943 2726360 2956162 2337182 2206820 6330811 6457037 6021000 6561966 6516956 6429240 6706123 6269764 6681760 6897567 6712602 6167606 7068130 6846555 6508680 6234672 6360703 5990964 6339415 6212144 6308534 7872456 5897610 5996666 6783454 6883220 6357573 6196067 5910491 6263706 6088010 6546354 6531212 6301076 6519403 5532454 7086139 6826510 5711571 6906662 7152486 6870206 6814876 7184036 6979775 6335252 6365502 6357084 Gly-Thr 121599 21404 146887 33837 117916 48026 30787 480132 216712 119009 523694 166395 7557640 20752 52423 519797 8906705 9483496 46111 8302508 52082 171224 75327 54767 183686 7645248 6604422 3724076 33865 26906 3295818 69469 66220 36181 174701 26841 186819 9273180 39238 8673510 28273 72250 155338 58185 9214287 10182404 45168 8569565 34588 43973 27720 42134 10046372 57139 141984 50312 137257 21177 24557 139030 3705411 69894 76795 74782 7018312 153062 8233326 8661063 22584 207953 7103934 45158 148440 78788 176426 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1400273 7338356 8223500 8178693 5871442 10080425 1406286 7586179 10522624 5264808 7055104 5718620 5334671 14563004 16401187 12609500 10658685 7549870 16420431 10662486 11689831 21727036 15917497 5619598 11463217 5617708 15446048 11365755 108279 16125421 110848 11233132 10400898 22867048 8446512 11290468 21527442 2083220 9935733 10386041 22429560 8393881 12583161 2029670 8502397 19665762 15062556 20225180 109656 8486769 14593878 11553897 20997292 8420378 15326726 5945457 23539152 16253851 12767237 1800592 15471362 7851909 6807351 7771957 11177429 11126602 11863779 33568440 34899120 32489230 42501348 40987296 38692448 8017954 7675900 8539942 50307084 51304116 50863940 31260508 32771524 30956766 1220015 1145952 1136462 22047640 23274772 23099194 3732143 4412568 3891812 53739228 51885448 49035972 1816801 1858160 1771866 11711785 12141676 11424363 29229364 29051818 30937504 47594584 47436836 46951832 49939916 49397212 50006784 Met-Leu 271563 143134 354129 123770 243617 425562 160447 292615 280807 321309 238760 270591 2161306 140330 188390 231899 2546625 2362722 170456 2067208 115529 268113 331656 278651 253548 2063396 2164636 1129437 280987 136474 1183660 416870 407618 132014 319666 128947 331264 3363474 270488 2964072 164508 379533 320195 422640 2886258 3137410 284092 3497772 115592 365817 134786 214274 3326375 367959 239501 347736 253717 105567 110478 311182 1073582 328503 327071 342859 2156769 289586 3084406 2518716 112744 270792 2839704 279694 346428 350295 332768 2976233 3181010 287613 3868216 3674145 3461681 2996992 2973940 4659508 4486387 4624894 2643276 5312666 3687005 5477769 3458794 3936718 3417810 5076124 9539902 3627036 394215 2488125 3640056 2901772 3203112 363611 2203375 1924526 344417 680392 3331846 3650370 1710981 1326540 1950603 81573 13644202 6763365 6101408 4642653 13313043 4230583 1223853 13669629 1207472 821838 1094089 72221 6904120 6019793 6080163 87879 7388462 1672440 6712212 7160638 5710426 5773079 94091 1866993 2086046 5641491 1198032 5182312 1553440 1988204 1767072 79659 4429994 5852804 2058402 4119311 6119907 6060367 67247 1503165 769046 215363 449377 212336 743527 1625948 1725383 5426992 5142942 5586172 7279263 7354532 7528185 84839 81618 84546 749183 328166 330603 7000362 7108718 7343432 1422342 1272491 1173076 125398 120837 121015 1202179 1172555 1313673 5497795 5162054 5066748 1314795 1285841 1357754 9063396 9292789 9821342 13073875 12728775 12934396 7471938 7139796 7272661 4004111 4113336 4362388 Ser-Met 386709 185092 437372 192883 401214 365564 152654 693031 558201 433211 631782 466259 2684330 176169 253315 678217 2404758 2676999 199262 2552248 196901 404344 316032 327970 440972 2744150 2727464 1661800 258335 205696 1635366 340338 361065 237581 431380 196664 476708 2981325 344369 3256971 191770 385914 389482 305044 3239314 2982628 253386 2601788 186504 334136 136986 278750 2983276 252991 443078 324308 494114 136440 143187 465621 1947618 324223 373267 318159 2539282 488750 2362808 2760383 199179 622719 2466228 248162 565187 355589 543357 3322486 2706400 280656 2955580 2831663 2831643 663287 1373116 2496229 2054076 1059846 2461912 829035 2825476 982256 2558968 2026272 658065 2381224 3355021 2401632 571328 2758405 739486 2747752 2733122 448866 2329871 2399342 512333 534448 6256834 6293776 2621196 545500 956835 758151 4616272 9055275 8623938 1621323 4358105 1462892 4027013 4269528 778433 675622 776234 686738 8949256 9622147 2226256 466472 9599597 927973 8273626 9413349 9235351 2185494 548671 991633 742510 9158262 3990680 8633239 752476 806890 1020024 725562 6470298 2126925 962703 1535284 9537110 9188637 522160 1069166 693916 1251096 1263833 1105437 1124214 1231612 1172400 7185915 6868414 7205696 6235276 6713592 6503058 16677 10269 31062 1146870 1096558 1162038 6825164 6696669 6896280 1857248 1572116 1478197 827557 813780 870940 1321874 1447150 1310187 6911324 7197634 6953043 1317619 1338626 1316637 6935147 7235702 6703754 4633686 4558378 4819272 6637491 6699502 7014653 5678628 5466474 5652265 Gly-Met 386854 124473 719830 93947 444716 129759 137866 835922 832781 705807 754043 572937 1004707 163334 135693 789905 1032664 1266605 116610 1201382 104097 501196 172792 173468 547665 1204956 1035881 978369 149986 162038 1012779 154855 163562 110877 595242 109285 617855 1123417 164172 1204861 98911 198689 572190 144973 1075346 1123032 158293 1146039 98686 173187 113192 105923 1113805 151150 415565 177789 714358 116616 136342 598079 1048897 166650 233843 132709 1026836 737297 1048247 950361 88377 711252 946626 269288 721664 222980 688401 1226125 1215569 140042 1352578 1436502 1346282 672272 540250 1196160 1347366 1935427 1546974 1906108 1468863 1704398 1397675 1018092 636456 1656021 1776776 1249448 1368855 1458268 707272 1214686 1430943 1252646 1457628 1411124 1530540 665874 1365293 1244708 1236961 1281818 1674219 252729 4800562 1926825 1877318 1278893 4846422 1217952 1659353 4527198 1292425 742968 1353644 260239 1914160 2075664 1353944 152827 2045664 351120 1979496 2029832 1978124 1388136 196764 299607 1739845 1881592 1696201 1874400 1441071 1710532 1750928 295281 1482686 1366242 1780969 1602739 1816114 1925580 181577 309921 728716 1897608 2048901 1740409 3099627 3172896 3021175 3295236 3148424 2976383 3065234 3112781 2971588 165918 172338 186007 890674 947106 918273 2981572 3144084 3312010 2930663 2291574 2137359 109528 34568 39417 2654722 2433676 2723263 3556741 3227902 3308586 329193 417854 297992 3486720 3582298 3802845 3208045 3113512 3185762 2956000 2923234 3407254 3315635 3171663 3162058 Spermine 122526 467954 813110 980322 887213 1216839 1488079 1347396 1260501 1414138 1227339 1166885 1415842 1745679 1984242 1911230 1959680 1846469 2106564 2376132 2118958 2039340 2152238 2911283 2768224 2618150 2580128 2350479 3095424 2651894 2716574 2628640 3092219 2822500 2867014 3457833 2785670 3224576 3185556 2945543 3366252 3424976 3475456 3712475 2655201 2934205 3575208 3174860 3651980 3788158 4262926 3194401 3165560 4040768 3337370 3109257 3380434 3755072 3639339 3329908 2957837 3385982 3644764 4007126 3620258 3706084 3107134 3141415 3370966 3489638 3351706 3566832 3874721 3469518 3860556 3616630 3085318 3557700 2831118 2771006 2929546 3079203 3838186 3333480 3298213 2892112 2966236 3307242 2991513 2506166 2853865 2800228 3327824 2400889 1908384 2203000 2355887 2555621 2728340 2180816 2554882 3185344 2352118 2834749 2442067 2489582 1098869 463257 765896 1137734 70834 2418434 1876309 1373872 1191709 1000867 1143651 1046920 986998 940538 2942641 780477 2241857 1740226 1371809 2253696 1433982 1495627 1454031 1020242 1077674 1161879 979115 975967 976769 1974676 3317102 2487108 1840639 1521892 1528607 4567942 3250221 2283874 1799953 1218948 1447126 1306460 1247370 2256550 865741 753676 815694 9858379 11872214 10850771 10783915 12189574 10533525 11313214 10136612 9552711 10550905 9920173 5592120 10774280 8689534 7653524 10522307 8106694 3518308 10035754 10018280 11010464 8551029 11176255 11845592 11094771 9739386 7342123 9646311 11294717 11744079 6480568 9996812 10569223 11500037 11920855 10363918 11311335 8644146 9982127 10419016 10299894 10363396 10414332 9952606 9882687 9521739 10877505 8055446 Arg-Gln 81631 88836 1525692 102302 70877 76534 110539 2214074 2155911 1025245 2550353 678310 7463461 115418 86687 2412500 6983856 6423429 100597 7271034 87829 384574 73548 78469 344694 5874081 7572288 5263266 76512 29702 5197976 81927 75527 92953 384150 82061 823486 6128678 74631 7742600 93712 79264 747853 72209 7686254 7118561 39453 7790890 91153 83338 131493 111612 8134999 49839 83756 73880 1559333 111882 108815 968881 5266630 41082 79149 95188 6721867 1167252 8189978 7786276 42278 2197168 7921602 119842 1708336 79091 2108938 8209154 8330769 76087 5564690 7288864 5710571 1009820 4558404 5439226 4428205 2253034 4305778 2346998 5111150 2351190 6502886 4722094 1119341 5832210 4759282 6724470 5438538 5992022 1118178 5732938 5900620 5468024 5161873 3438665 5352288 8559351 6886450 6835048 4275009 7871646 6320019 1847576 2857488 11466627 11379370 1238897 2819402 1261927 5071146 2845574 111848 11028486 612484 1745823 112663 11269374 2619420 6283120 11619992 256907 120753 136558 11207734 2570404 6562886 277248 9050724 10725804 5226025 10168928 137173 9315807 5710734 1792775 9881162 2646198 5971800 1191205 11435562 11115546 6550074 261176 10559222 4723914 4589228 4709494 13185258 12656787 13147108 20414060 21258666 20373734 19869748 19785152 17351692 2808400 3036583 2732831 21551792 20680838 20141762 21924672 22269598 20975330 385721 357717 372311 223439 278443 253339 4013488 3411308 3519261 21274152 22313206 22332262 1357510 1171249 1250728 531250 769065 785727 15009207 16200709 15848902 21715980 21533186 21121826 21108460 21045356 22692900 trans-4-Hydroxy-L-proline 109430736 138799312 89413704 123234624 109949584 102856928 159028048 111406288 104313496 95239392 102215072 107320056 106182304 140607920 108157280 102091336 97874472 105395296 129033032 104306744 116980848 105749056 120562944 118694680 106696520 104839520 109306224 101825288 120784392 162654672 102007136 113239832 102133264 121055600 114595408 120338016 118386680 115272944 120299096 116542648 127800408 102091488 109863712 118353936 100745856 102598080 111174432 106304904 134117248 118306904 136291840 113858016 104947672 114537264 113070008 114775720 124475816 130786400 145453184 116281368 110308680 108723424 116655816 103659072 100869616 111220536 96581144 96648712 106284328 116702848 100308440 145957776 112600304 113166824 98940488 110105248 100454224 120235528 127273024 124515056 125573080 130198536 143686672 130193744 112992504 129456144 135173088 104617312 123029600 132169432 132614352 117991216 141762224 141330720 160528400 129724560 124398000 130059176 145780592 129130200 115866648 130230320 125224816 124215288 123402504 41996260 41259384 40766704 43452304 44137408 50985324 53187128 60253520 51398844 48185556 67970616 60573040 63504900 53101440 59032128 52252660 45908816 51747704 51317632 48220604 54830448 58570116 50543004 53330324 84429088 48715524 49142972 52830444 57523848 53332808 86878856 54329328 50249972 55621564 47681900 52270540 52836896 54970940 52749676 43847348 56232688 55028596 64512016 51337856 53991684 53218732 83780288 46781656 284364256 265987920 283888704 288324448 267424032 290786880 292588480 280438432 277360768 287337216 298567904 288445024 291731520 310823936 299081984 258352432 287982880 281039680 283065184 274572864 266707904 312099008 275320704 275486688 300870528 283220128 293857216 271608128 280538144 285522336 282752672 299815936 278053856 433627584 466012832 460703520 268267648 278358592 263866128 293197440 297444320 294627200 268655424 275544352 289095552 278823488 258456208 263981776 4-Hydroxyquinoline 5289028 5205437 5190510 4541329 5443986 5121718 4823275 4569324 4949585 4791222 4184058 5416124 4214206 4989500 4792980 4843179 4642684 5442740 4367512 4545935 4303681 4633664 5224265 4919889 4970104 5529585 4226119 5824882 4904640 4983498 6144256 5361723 5844662 5393590 5295457 4699490 5363250 5513388 5211535 5500858 5851954 5267656 4669158 4306338 5607483 5928856 4971797 5389901 4997462 5448470 5077973 5508358 4947738 4578520 5336786 5581404 4868411 5370110 4841509 5534732 6006304 4662204 5225348 4866482 5459992 5440680 5308747 5316990 5494723 5442578 4799740 6218610 5412018 5024090 5827296 6174860 5511128 5023652 6474618 7068268 6922288 6184961 7970881 8300284 7515452 5793058 6493934 6735561 6856728 5670345 7396188 7618923 5560348 9417746 14071623 7891486 6836942 6883233 6736388 6611382 6690466 6405572 6710603 6449260 6259249 14371457 11167646 10736283 9113891 8162986 10660546 11163251 11457968 11122678 10905804 12149335 11139339 11173178 11244999 11073911 10621022 12760007 10184269 11593572 10900151 11252013 11901693 11104036 11323152 11117302 10473373 11033780 10269986 10973541 11562808 11563691 10743145 10603328 10457207 10227113 10073471 10500762 9204215 11181674 8783986 10803533 9395756 11076367 10276552 10407268 10675372 9376483 9724921 15275778 15562400 15050630 14558202 14171278 14228104 15219876 14551856 15270399 15873813 15718916 15305561 15417347 15731385 15627457 15651983 16002257 16006239 15135565 15106064 15127222 27263398 15118112 14709362 15708894 15509176 16328456 15221368 15655531 15323778 15609367 15864166 15712001 14912970 15029933 14812085 16393051 16277425 16284838 15766016 15793480 15298129 15157755 15603447 15250650 15006664 14974594 15196430 3,4-Dimethylbenzaldehyde 32751 38816 40409 36606 35177 36217 34882 34780 32735 34238 34268 34652 41934 31021 34861 34702 27116 36577 38248 33180 37380 33924 34483 34231 31249 36078 42007 39781 37965 38815 38876 40391 39417 40771 43499 40309 36265 37777 37919 40758 43514 41757 43966 42825 40594 38754 36305 36280 47919 41366 44922 36524 54945 43930 45988 44749 42728 55189 46710 42818 37222 46164 45131 40036 39002 35112 36317 39555 41057 45648 40732 44639 43118 39537 49362 43406 38881 46005 46678 35123 44853 41540 47395 39410 53222 50422 45032 45457 47528 48929 52860 47095 47896 48644 44924 50943 50873 47305 39115 48354 51848 46745 53988 57998 44352 31945 12988 9279 6707 8722 328995 386466 22916 23986 401506 34287 26623 30003 22318 22279 6684 24200 345247 12603 36417 21329 29684 10906 38989 35019 365392 21269 31028 26853 25420 28800 14522 382149 32197 30048 368745 8483 8484 418542 22206 43096 387480 22499 20501 14392 407923 16247 350249 4885 4951 13124 6582 7138 5753 4321 4612 3540 3590 7663 4726 3880 0 3974 3863 9624 4415 0 3842 6416 4887 6121 3938 4024 4192 4612 3526 3786 9813 4397 6804 5269 6021 5138 0 7254 4474 0 4149 3926 4130 5958 4974 3988 6380 3570 7842 N.epsilon.-Methyl-L-lysine 1740222 1732790 1635520 1565486 1459212 1345356 2486661 1627775 1586814 1563420 1482426 1443704 1477171 2004068 1646361 1581541 1454312 1544540 1588474 1522567 1718303 1366803 1531065 1642834 1671391 1406942 1542703 1794425 1677522 1856968 1618289 1538175 1562916 1484368 1519368 1682011 1574680 1569462 1527327 1654579 1574254 1543675 1500091 1570131 1628913 1421758 1714790 1449641 1646027 1632330 3556706 1559027 1570788 1474211 1617037 1370681 1497275 1960045 2001785 1572370 1780953 1594296 1587146 1353064 1525958 1503647 1487283 1322938 1559811 1409966 1538042 5525920 1271151 1667587 1659942 1412018 1425723 1842756 2269880 1887532 2440552 2244026 2028968 2515316 2225234 2108297 2251927 1957837 2017864 2044312 2336066 2250188 2391036 3024668 4524612 2448241 2037705 2267719 2376396 1809173 2149536 2092063 2041121 2086326 2303958 2449666 1904182 1713413 2435791 2186476 3166580 2815511 3026706 2718290 2723756 3089466 3157526 2835922 2992198 3085025 3446626 2784998 3479592 2988112 2765310 2997159 2990462 2987937 3048030 3168571 2830313 2785930 2911278 2793689 3034584 3559572 2813511 3067689 3104717 3064810 3483856 2873094 3774998 3082737 2086573 3078174 3775462 3201906 2918611 2698231 3231558 3026731 2926368 3295278 3693504 3286401 3420908 3406811 4705876 4196122 3382704 3346239 3704413 3241280 7814350 3757908 6605334 7271413 3054483 6059989 7416232 2933149 2908226 3032935 4686420 3166570 4493322 3494930 3039102 8041326 3320360 3174212 3653764 8557835 3291210 3183985 3684036 4358662 5551003 4895202 3556714 9171084 5176399 5186391 4565058 3061874 4235995 3142356 2936126 3327210 3030176 4-Imidazoleacetic acid 886487 1325805 896762 1235004 1015811 937399 1254759 923538 931689 876897 938117 794333 892389 1423694 1153780 921380 1012375 1045949 1239743 1058477 1253210 837329 1236360 935067 825722 981775 913900 853805 1218282 1566572 957694 880770 1099566 1299425 906466 1333705 898662 938593 1118776 1052681 1326139 888831 896443 968499 964544 938666 1145937 1106910 1345708 1171294 1266782 1038843 996719 1047248 931510 1042380 898236 1294409 1356471 828552 878700 1154473 994219 1003127 933767 972005 990592 972051 1102167 928486 951430 1478927 925225 1042183 917821 1226429 1060316 1109132 1430564 1386907 1342248 1352053 1688809 1829140 1368024 1137474 1461732 1169974 1636511 1266482 1614507 1665680 1350163 2040178 1929616 1696084 1245450 1528750 1165098 1437162 1476865 1177034 1259603 1389672 1188719 1152814 893202 1176947 1043213 1002143 818003 986272 1327889 1011428 1109186 1091726 1370476 1087328 1107769 1304123 892127 1028534 894032 1041996 1104400 1112679 1055764 1218900 1130761 1807812 1147691 1143223 1152074 1037883 1359037 2037188 995639 1077218 1176830 1001766 1021440 1037907 995495 1059222 903192 1139998 1091903 1331492 1193084 1249486 1366986 1925848 1111437 2380206 2328561 2149637 2150714 2119510 2055563 1889667 1990254 1740601 2637152 2710872 2596620 3460246 3249982 3152230 2012816 1936059 1872911 2433848 2648231 2795271 2313210 2059162 1936748 3156345 3148209 3038404 1923364 1836323 1809222 2796208 2681262 2624126 3973339 4068429 3721152 2578291 2530255 2578212 2977532 2789758 2904614 2264509 2326666 2509808 2640821 2367771 2460584 Asp-Arg 81713 55827 304020 50980 53348 55534 33248 394744 384796 205838 476207 170921 1052380 71449 40183 539749 1144461 938216 59128 845699 53885 135854 66840 70865 139842 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1505333 1578146 636026 1931855 2412999 2548679 627726 1046447 703556 2082842 1340336 695918 1039439 1259700 706633 2370576 2757856 2145219 1284509 1293575 1203859 820233 10092787 2819090 2893663 1121950 10307571 1644778 1913144 10113392 8956 3697628 5418 1039384 10820512 3299273 3991847 2008736 3104721 1068627 10430726 11050883 3517551 4221790 2346532 1175456 1506790 3831258 1720900 2633442 12365 1539642 999484 905085 2504442 3849314 1150263 1095561 3296826 2990443 2254771 1060179 2695416 1431749 1427221 1486728 1975176 1642424 1751250 8565412 8778339 8746078 7474322 7542206 6787050 1087624 1225207 1037419 7721044 7579144 7458864 8622360 8781780 8818392 416147 347242 344833 491025 457779 483968 1559462 1731360 1600706 8133130 8315294 8256838 763477 706743 709601 7344016 7850846 7655733 6556393 4799881 6674766 8522687 8827808 9002114 9126111 8913346 8612140 Guanosine 5'-monophosphate 66523 6759 280091 3876 51957 0 4086 593367 513998 222793 770140 136538 1129125 8582 0 831929 1249823 1293619 31832 1199544 26587 145790 0 0 136934 1309840 1114534 1420274 18418 0 1200352 18773 0 0 136750 4048 151324 1439413 19701 1185277 16964 0 167351 0 1337333 1304119 27573 1128450 15612 7618 0 0 1343866 18621 74883 8998 327822 0 0 193963 1138272 20715 0 0 1180385 224799 1270670 988185 19548 511751 1042292 12240 328612 6031 398167 1262845 1325960 11637 1475120 1508156 1465698 38158 1240521 1374181 1622882 10344 1308324 17823 1731947 6678 1220557 1416391 37428 2011077 2504895 1515181 6789 1107842 10416 1330958 1225006 13737 1321664 1203065 0 496131 349488 315979 599068 0 0 0 412775 594554 628724 121894 428002 87223 754571 480822 0 882715 0 10710 164606 770906 1652205 798368 829688 0 165229 181966 859064 1581508 877531 0 0 971729 713643 956867 0 0 0 17014 523002 1519695 0 121436 894848 763324 897698 0 834567 1773326 1539035 1785716 12285 0 0 1998728 2340932 2407758 1589660 1781805 1359529 1798534 1545746 1503193 1901372 1482440 1397050 1644336 1713994 1576398 2395918 1665658 1559732 1711789 1753232 1454776 1154312 1189450 1114895 1402056 1801187 1844604 846292 788800 711548 530504 557932 502811 1536430 1354317 1423073 1685884 1407739 1760556 1616920 1520518 1639722 gamma-Glutamylmethionine 134170 8987 632989 15411 125224 19401 4715 413077 544047 877504 334537 1131662 112799 9800 6748 445811 86830 182516 5692 225683 0 1172393 5038 7015 1286915 216950 81283 332722 6149 7580 326214 6037 11249 0 1371850 8293 1184150 153457 5642 205643 5380 6339 885963 6480 146404 141314 10105 95041 0 8714 6337 12187 109454 5829 266394 4663 705289 0 5491 877489 354415 4787 5936 6466 231952 744771 92625 107771 4516 418608 98532 8030 656352 10648 520513 82100 94746 6745 131231 110663 129986 144152 143702 134640 149179 178044 142094 173734 116147 179134 152922 135375 162822 197819 243419 139939 195528 125032 162333 132392 134722 183313 165408 126117 186142 151774 6892 129570 145936 142587 203018 218867 257700 196920 155538 209256 184377 199986 210474 208833 208447 168168 208794 230514 192056 201540 223598 361123 211950 197748 200387 200174 187561 171094 281986 203624 205499 8642 222702 8923 196476 228817 217489 219614 146174 235196 184554 212256 212802 159659 345669 190093 170126 242675 263353 279106 380845 392415 430611 26464 12390 59724 286326 282130 310868 398902 483711 389154 307403 225865 230913 285339 225492 267327 410605 293342 284472 282054 321070 282481 283684 241720 281253 340705 302081 291296 310635 316798 308969 271310 293375 276384 273560 342746 330980 254644 278645 241479 265690 249786 278516 N,N-Dimethylguanosine 102459 0 0 0 106104 63732 0 0 0 0 0 11123 146295 0 39112 0 175535 176823 31940 187956 16231 5696 21554 117176 19774 146032 129421 34686 72096 0 28213 145490 37252 20746 24321 0 0 166894 57897 245655 0 208923 0 108111 162434 240145 24856 160652 0 19742 0 53099 177214 38680 77936 68082 0 0 0 0 26728 27200 158608 0 178777 0 155577 163528 0 0 157199 0 0 152326 0 144769 166287 30051 342738 293089 465063 1981990 748969 325149 896374 245366 385276 310368 309269 265959 249744 858590 1746652 420188 1593034 242436 26885 275277 2125260 366948 244452 16362 326822 344478 5772 110963 103082 142327 101446 0 0 0 287616 152623 128861 1822037 281590 1679211 138088 269474 0 145764 0 5724 1325221 28889 532933 98910 123805 1527215 1327755 1360987 35826 501926 17154 1602044 0 150385 103560 136930 0 0 0 0 97489 472097 0 1725246 29207 123287 101615 1379940 155266 437416 271446 348289 3977 0 0 254316 310477 289143 431369 542019 462556 238712 231511 218783 340523 275533 327001 338211 404311 368843 765927 339165 325075 396594 381953 319683 521571 598115 488736 111424 85554 70735 4586708 4460219 4634200 2799397 3236134 2792922 645260 656663 709743 345401 320524 311834 343156 299819 345245 Lys-Trp 4645 15260 1053210 6680 5792 7202 5274 1464954 1329890 828710 1502418 453207 1815120 6046 15943 1462520 1666122 1522834 5023 1543423 4614 116581 18230 3874 93542 1758191 1925050 1810808 5035 4608 1699567 3616 3979 13855 104132 14689 468146 1685439 7254 1853199 3914 4918 501644 6084 1601456 1873714 4906 1757892 4350 3678 4731 14891 2096942 6057 0 18185 1235844 25091 16797 898003 1999707 7047 4190 5222 1958391 874974 1781259 1992252 20382 1335391 2165376 10888 1017993 5476 1454992 1868338 1868969 11874 1613561 1761000 1362561 246345 940268 1253928 1082548 946273 1761638 981545 1398469 830388 1921481 1028254 263766 1621626 1643149 1460794 2285624 1633332 251932 1319830 1918539 2140826 1673747 1582973 2253004 1179940 1124650 1186765 1317333 1399745 1284606 1676422 2414396 1543914 1526935 972148 2402192 944851 1545285 2292574 1435983 1656671 1462880 1777810 246202 1561556 1055375 1519040 1491861 283211 234688 13864 1589108 1089272 1572509 246649 1594392 1517956 1531478 1373075 1445142 1692264 1110489 1642786 1517441 1167328 1258989 1029275 1692075 1731926 1598515 261878 1478292 6886238 7096503 6910348 7189248 6832782 7538213 4989164 5010969 4826620 7249322 6510781 6581762 8545739 8264970 8812517 8203812 8276078 7871093 8739604 8628626 8962413 9281160 8124586 8295552 8789770 8453832 9251649 4423954 4882439 4933637 9152686 8366802 8348082 377193 425802 381779 93324 62977 648343 6299320 6057484 5918314 8174967 8617425 8444714 8276619 8905816 8145115 Pro-Lys 280184 623379 1885497 328592 333969 280523 1123647 2596961 2022516 372368 2738682 1507484 4371806 1021764 297507 2700464 5210152 4950146 273559 5930023 321878 1194822 316941 258007 361903 5364176 4326432 4143015 285720 930749 4509123 333395 306349 339934 380086 401327 1493160 4686120 307328 6150616 577963 328938 1611294 307569 5741602 5827114 306589 5236088 388605 311209 864698 250357 4685202 322196 272712 329303 2143205 607344 532789 1817000 5286307 322457 305738 271301 6028510 2016074 4690957 5278153 469878 2687735 4894592 1557873 2420668 334541 2453143 5251392 5639716 319183 9395965 7336262 8084438 13835468 6810879 9177536 10945901 17818460 11849122 16912854 8309272 16317967 8272005 10687339 14566585 12667435 14449562 8767645 7127400 6661049 16215110 10027413 8505396 7073883 12435505 13919419 7351874 4998724 4927084 4121042 3186768 8525866 30907684 1143282 31502772 5439420 5273374 14944459 31317690 14617422 3961414 31971330 5116066 5938737 4766812 1193359 4395363 8182634 15860834 5963930 5624020 10127454 4540949 5054784 8280028 15424105 5500626 10702107 9436219 6024087 3952559 5591038 4744724 9452335 37035332 1774603 5775356 16706136 36681276 14833575 8135036 4935214 6297605 10168435 5382859 405558 394837 427812 11288229 10828973 10035803 14182990 13883566 13757327 16210310 15046706 14505121 12759219 11776833 11078239 11759279 11741209 11615317 14463860 14027216 14014810 655870 421456 384732 1012949 1047556 895665 17290378 16865648 17328506 13594617 15062866 14193823 7136594 6745277 6480132 13322861 14449476 13660168 20152822 19949328 20180552 14811871 14319618 14879206 15070421 14638734 14097019 Pro-Pro 772151 303450 1297498 239359 912604 324684 449234 742848 878274 1726781 773757 2047193 635705 552607 285568 884170 607073 792011 278082 797298 243724 2313994 368095 355106 1864635 783742 647329 690673 391220 429151 897019 330039 276771 231347 2073663 280317 2013201 791702 354829 798630 286194 390643 2140110 354673 660808 778001 382464 666755 259230 346503 416875 255368 728707 318661 949945 286532 1135354 349457 382931 1488411 682828 319966 413944 358541 678457 1852531 669818 750137 249181 871096 692177 639729 1051277 415422 787762 668769 688409 361652 4629250 3052270 10470886 20519946 10675630 8376834 24123808 14916571 16722279 16803480 5500256 15032671 3421008 17869356 28736358 8931100 23736082 6032272 879462 2525558 21187620 8913574 2681519 871593 13403619 23234316 828013 1016357 962072 689811 986982 955095 1942051 327021 111366224 1210742 1034627 267026016 108419856 247799200 1334171 98371808 1083243 1030980 1002423 347762 1290414 1641736 93403408 1856046 1279846 155343920 1364968 1372334 1722121 91922752 1889353 164323472 1194940 1267250 1264337 1188184 1101800 1191200 2008590 385087 965259 91467136 1987632 252149440 1722437 1023344 1941736 140124208 1050411 1592318 1568139 1558106 1510564 1454429 1556620 2164632 2010099 2079692 7735003 8339338 8505179 2292388 2460896 2394561 1294871 1325375 1421857 1393052 1516112 1383833 2225336 1850674 1898310 988824 379033 319833 2355884 2592558 2557117 3288890 3142141 3120846 156055488 157494640 155635936 2644498 2380652 2364745 48887184 47629656 48836972 2179708 2266696 2127215 1596624 1569621 1527117 Thymine 249429 429765 221418 430078 220656 320110 261965 97115 89068 121922 100431 169492 66647 224908 267787 96018 62865 96712 243350 84629 271263 126814 252832 180558 132197 80107 85268 158211 422733 351712 181096 300535 309871 384213 214209 387031 210613 141865 458240 149789 388992 300874 219313 301170 141980 151761 438528 123608 381193 390651 319270 434023 132421 357636 219393 258862 143521 341190 415772 146463 182744 290959 218825 336806 156982 200850 135965 120779 392984 162976 132643 507657 194550 300510 205992 162665 133251 422480 204579 226134 325303 617908 695856 203714 557020 179114 307136 183489 209206 198548 178088 645327 662042 318599 1749476 306351 169484 197451 704753 323711 235963 152806 304879 340730 138269 1220600 507311 387689 434826 332523 656682 652187 832211 691675 691993 898973 781312 820534 750916 747044 575516 779742 545286 625395 691516 805122 753220 809758 684706 835584 674863 670890 698955 751279 788000 964385 584313 716409 689916 648772 507070 526469 537546 515379 476479 728647 513149 738823 672097 621057 740456 694782 557977 436256 456132 434518 317017 312958 310300 630054 598456 627022 435988 462728 426684 658094 677244 678516 578314 544909 555331 417507 373062 425159 501898 397774 371484 486718 476128 473421 378674 397397 407926 615588 655271 648219 1562650 1601160 1529789 451076 456274 373342 587373 621992 602725 391527 382714 395515 357474 346419 331370 Glutathione (reduced) 0 0 81977 9176 0 0 0 72219 42651 57078 35308 31173 30808 0 0 37439 28163 22765 7696 23842 0 22292 0 0 0 17926 26810 13076 0 0 22366 0 0 0 15941 0 23139 17672 0 7412 0 0 23155 0 23106 12130 15076 24534 0 0 0 0 26237 0 0 13191 9365 11674 0 0 0 0 0 0 10134 8656 21302 20763 0 9640 9127 0 20412 0 13550 30982 14278 0 15731 22162 32583 59840 62853 21775 46988 69079 18950 52863 20947 76005 15120 54649 55739 35696 39005 34784 27134 12487 33740 23317 23370 25838 7556 19620 15129 62290 31724 38135 42943 13230 68687 142994 1440780 143704 112332 1715092 1433514 1711621 186717 1233561 72126 260190 76273 63166 107638 179437 1554636 93132 96338 760987 130375 99154 177604 1329582 78465 568403 9446 28194 73571 33999 16908 31695 0 19149 65113 993464 40781 746001 156767 74745 27175 426552 153300 73483 130277 65612 59038 26950 68277 19500 19700 8503 70258 46566 78834 32873 52320 55675 66927 129408 147327 50685 37234 54494 80573 69835 113780 51032 64075 101921 65595 125677 152498 1320923 644308 691371 439239 575031 920921 44412 32298 70119 132070 136831 108999 57099 69496 47102 60593 85492 49985 Ser-Arg 41127 513971 864390 477594 331443 417340 556328 743783 909357 842431 840604 792671 4855923 708100 449164 898543 4578341 4165465 460747 4011502 498677 45161 547372 397614 641249 3741710 4550092 2679585 484603 683287 2451666 447442 468809 552326 550694 500338 765987 3968187 427318 4771742 519285 425449 727643 448700 4830842 4489192 572179 5453206 589616 496040 570330 510562 5052146 450134 458184 454131 966653 542681 628206 911071 2537660 526643 446246 427269 3873154 888534 5155900 5189730 566312 1055685 5110980 703957 801720 492645 1009459 5685491 5416392 483693 4877184 5177756 5702703 3057824 4665869 5592629 6608356 3176811 5616986 3545566 4617041 3432964 4627064 5943077 3238958 5765619 6086104 5791485 530785 4453311 3725287 5784648 4847576 561773 6316528 5704812 495442 1336321 2850058 5320324 1426655 841350 931291 4283978 24166254 9676378 9085652 4120544 24091036 3989084 1711784 23883474 1459876 2231244 1354717 4183375 15495436 10645229 14861757 5420669 9546253 5215620 15229166 15615196 10212298 14333548 6225437 5210730 1141123 4677960 1836621 4484510 1435348 1122220 1078869 4250066 7808433 14546331 1218393 8469044 10401138 9055420 6120068 4857542 2224715 5548174 4989058 5609926 2028096 1858680 1929355 3988168 4204290 4114986 14238134 14669982 12727863 4820484 4357912 4633062 5753612 5354033 5041686 14367404 14139030 14453170 6946044 5368634 5006110 4513301 4567482 4212318 5003368 4760890 4741706 13484222 14097819 15185101 6417646 6188680 6500606 15086730 15248989 13814069 13911477 14315743 14779364 14075718 14404911 14753206 13349096 14076569 14584798 3'-O-Methylcytidine 0 0 0 0 0 0 0 0 0 0 0 0 33978 0 0 0 45460 34171 0 37397 0 0 0 0 0 44992 49747 0 0 0 0 0 0 6066 5651 0 0 72053 0 76130 0 0 0 0 69606 76359 0 70309 0 0 0 0 53921 0 0 0 0 0 0 0 0 0 0 0 65806 0 61650 59164 0 0 60598 0 0 0 0 58135 58490 0 213131 176898 289121 172410 874085 319216 981164 95736 245481 100850 147092 115128 109306 823573 157619 304555 1630046 286288 0 86060 162270 268953 107765 0 170235 208728 0 172487 158619 46079 48810 8180 0 11027 147129 42368 60782 21758 122133 0 34792 183847 0 201878 0 0 44195 6974 0 7651 7312 0 0 64698 0 0 8020 13234 0 304244 63144 236564 0 0 0 11782 10510 8490 0 27554 6532 87618 0 0 155429 166444 120501 198880 16794 17731 9994 584886 834394 813748 452779 546884 417734 38518 43546 23342 8402 11705 0 148788 155503 177887 222786 168520 117931 148628 133620 147305 588940 608311 516210 6517 19924 5207 2542114 2380372 2664478 99967 123580 111494 833062 813521 770906 182865 119177 137423 114959 113261 145261 Cytidine 5'-diphosphocholine 0 0 0 0 0 0 0 0 0 0 0 0 123142 0 4571 0 130542 135232 0 114596 0 0 0 0 0 119048 95867 32859 4738 7088 31450 0 0 0 0 3606 0 145598 0 114367 7835 0 0 0 147963 164034 0 145640 7388 0 4796 4202 147519 0 0 0 0 4443 0 0 35414 0 0 0 117585 0 122391 126159 0 0 123120 0 0 0 0 135018 144380 0 168355 182557 173291 0 189077 194659 182488 0 127958 0 181172 0 84647 173516 0 216448 345769 189289 0 75324 0 203733 91127 0 135946 107591 0 7698 0 5976 11514 0 0 0 0 19506 23731 0 7473 0 11510 6523 0 15858 0 0 0 0 0 0 15021 0 0 0 0 0 0 0 0 0 15210 0 0 0 0 0 11682 0 0 0 0 27001 0 0 8550 243914 265699 288110 0 0 0 0 0 0 268349 281927 253369 0 0 0 278504 278788 282041 262137 257458 236736 328033 271568 241187 269749 323793 268490 122944 106135 121429 0 0 0 0 0 0 0 0 0 233328 243441 260996 251357 247700 264765 256227 250565 263417 L-Tyrosine, ethyl ester 23645 30104 28535 27298 31944 25912 28009 26946 18895 10542 12316 12658 5064 13169 12172 11387 11120 18524 11411 5661 8930 9552 8720 13076 9752 11354 7143 19117 18831 36828 16423 21845 25915 15622 17724 20922 25380 13094 28304 20532 20993 15613 12551 18642 9339 30268 20493 20032 19370 23347 15347 23765 17805 17084 13785 8134 22573 7538 19363 14757 20137 10784 22322 8758 12364 21211 15167 22502 19955 19748 10118 36845 13027 13312 15939 10088 12134 26536 19436 28953 22599 36802 23888 9106 36312 31335 13427 21742 25634 26290 20079 20923 19272 21659 54437 17500 27105 9307 30467 7797 10563 32614 21407 10741 22263 72498 40807 17759 49637 58410 76795 93990 132057 44482 58561 110000 128634 102208 66688 129733 84246 82261 84629 110011 36291 61868 144248 54388 71641 120831 60333 53065 67723 122060 79187 137493 85272 69022 55683 71554 87558 66067 101247 108417 47531 111856 90480 95946 61568 52441 56540 100688 59774 101338 111517 104739 113555 117918 95836 101022 101779 109979 102595 103946 119813 110672 114611 116049 101409 87177 101924 108992 96818 98372 151009 97172 110702 126139 105947 127958 89834 105466 95342 107102 102162 106026 100415 99243 92312 73845 75014 62354 95970 100405 111211 96152 96689 105590 99358 99457 71119 Ser-Lys 313029 139957 991401 171527 273374 225792 151464 1058028 1171241 715390 1276576 521175 8489115 183718 167130 1452890 9066453 8809362 155942 7634122 157203 363658 181054 237040 385311 8747163 7790740 5454043 163240 113306 5626436 323713 221846 193183 307262 146096 508870 9661835 188304 9153241 144003 329704 439695 258230 10217290 9989311 207460 9540215 208934 151558 143564 156104 10078717 258112 346073 194246 1031432 125282 120548 784347 6305842 189299 263480 152523 8591411 827626 9486688 9537275 208404 1439304 9025766 187164 848154 290313 1258452 8297516 9607901 176668 11373894 10666331 11512062 6722356 10885557 11926510 12607414 5525444 12616177 6207982 11331912 5078684 10617975 12556097 6680491 12681780 19037082 9638173 751387 9822089 8444131 12197463 10102224 760939 12309032 12529018 687317 6470188 8803252 9104342 2694598 6958215 14544461 13005890 66367804 17781930 17624074 17922338 62878708 17447626 3457686 61945088 2432436 9216474 227503 13905564 11513350 21001942 35487344 14097504 18632258 19307154 11135200 11028081 19502436 32465580 16095093 18763244 7258858 16448906 3373145 15520933 2420740 7272246 14456743 13422553 14253366 36315344 14821978 17859872 19515050 18287076 15528646 17384016 9071493 4209954 3800615 4370354 3760893 3534492 3305734 16986626 17383856 17956900 24794016 27677768 23037916 9635215 9622200 9316934 13172434 12175293 10937005 26245236 25458272 25816726 6363585 5155951 5021462 10771508 11540524 8923088 15359733 14982630 14637284 29359392 33588104 33243798 9808221 9440079 9609194 17700822 18727972 16359216 24756660 25022776 25705924 25384790 23500520 25095472 24419078 22967344 27013492 Leu-Arg 1488779 236283 6522997 253938 1600266 547292 275479 7589240 9160605 3982276 8152290 2592802 23776386 303429 312886 9439437 25021730 24821126 255230 20379598 262576 2640628 336913 730770 3130400 22190094 26592396 20523232 371291 363692 19135820 710988 524390 277835 3066098 217022 3784247 21890544 392001 27845508 297714 745022 3571305 923888 26936108 22336814 335542 25971844 248749 397555 316700 288098 24600154 388235 1739743 582176 6855940 286200 359417 4871820 18689234 479531 890849 506316 22829100 4907524 25839364 27249606 301041 8225816 26540470 389873 6004100 1070803 7493097 23763536 23841110 315287 23206098 22554208 23719880 8926127 17808426 24058944 27850376 11367540 27199436 16481890 24250962 14680039 22441564 25657668 9606462 24223514 29939308 21753190 11719447 24927398 10643153 21896300 27386880 11996837 25160090 29504468 12512846 30953174 51666580 61891500 7617306 8774884 8861304 53906536 209061728 73129384 77434672 37168712 198845776 36626480 9338208 198075232 150617 31622900 357266 55950888 209877360 143837456 86302944 34209704 81864456 19143114 201653824 215805696 140274928 83914232 40699780 17881044 9745764 63390316 9139948 61125124 591026 9027534 8351533 53048004 60706972 88530656 9003363 38976376 140899296 71100280 36037020 18151144 32003374 48746636 51788132 51057000 50457772 47207092 50499748 85189656 83641920 87958064 100193104 98863064 94562496 37858332 39177588 38876492 101593360 98187592 95672312 113450656 111751936 114792992 2758760 2372242 2461963 32431190 33732016 32038256 32219778 30627666 29614796 120742896 124754216 124882728 11254963 10589050 10604637 107157336 101721968 106894104 89747264 91123312 85033408 111120856 111465808 108343560 111903520 110728800 118230880 Pro-Gln 30629478 11976956 37093728 9417965 26763958 18143766 17726178 31845372 35373392 33351800 34977400 33288320 56222456 15679613 10584190 36855928 60937156 57208156 10738717 49947088 9268154 28051382 12477843 23076670 34234152 46289536 57820056 43397176 11064454 17028504 38217108 23331796 18042424 10623556 36896720 10512742 37547372 59081036 13531774 55833628 12286662 25883694 36406548 26109198 47308512 59404536 12249915 61339716 10452430 13284014 16435719 12047470 56362872 14451812 29434326 19991412 39876036 13353879 14922523 31651250 39140472 15449406 25343414 13578444 43063668 38395772 54859392 58238320 9516849 34586984 52827752 23535200 34064016 25574284 37134472 52428772 61286768 13384630 97906096 84887152 79509176 56249652 75280072 101582656 135316800 104541568 112563520 119303432 92118568 85252968 69520880 101116808 63067360 109101264 158969168 97043896 54334720 70566408 69950592 89225800 73826368 50938572 124841920 121550816 51683708 50016604 42298752 40728660 67317104 44655348 50113336 7531984 305523808 76445056 53199632 219665872 278808000 207993200 74544960 289022048 52533404 53994648 51608856 7815639 80946080 76236208 153010352 67916168 76090328 100445872 85125880 89006496 74978368 147891056 69161056 104754864 52767476 50436020 73746760 52275996 49552076 53091132 48388656 8620989 71197056 149299648 46935576 215739904 80254512 53094384 72595728 92535424 51937916 227931280 210058688 220670320 140994112 140729424 141135584 123811304 136235392 118848952 258981712 260971360 251265584 175251456 159659744 177806688 226428016 226084144 223450848 156160240 155018272 149411648 278652256 270707392 241302400 20154466 21307864 19548696 92932504 109450352 102651424 253111840 252542336 240343824 122135104 120158704 123860568 278975776 281325600 282629728 353790656 358953504 349390880 235959056 240921760 243516688 239405424 228146240 244754288 Asn-Ala 154636 160819 396465 121913 164292 159402 179614 685738 528302 365180 680762 274269 2427610 162567 135594 720842 2617340 2354822 135332 2260681 153020 250323 128787 139640 252152 2319614 2508564 1697526 170706 155553 1473123 158694 172306 133170 331752 163630 291292 2591260 144619 2350062 162707 171267 297259 168558 2425386 2445344 152288 1991650 141029 134256 167702 146502 2542390 132734 185327 144343 378110 156983 157615 370539 1805760 138569 169572 132141 2212848 374590 2378252 2483735 167031 559506 2350018 256173 432043 159121 477134 2213062 2167074 144884 3132213 2738190 2708994 701567 1470383 2939258 2301544 1360049 2642378 1581068 3312077 1304907 3238926 1864754 851960 3364176 3166306 2983638 253927 2230222 960161 2487838 2747016 264901 2227532 2389075 278021 1628972 2470834 2390638 1798410 691983 1111431 183736 4369454 3643388 3377183 2442990 4479014 2302811 2511706 4073374 918039 1951467 891424 161762 3875256 3658224 3061944 448017 3874900 1085550 3938840 4060243 3515674 3119146 569351 1181130 874921 3571220 2376206 3380015 862993 940611 1101243 176246 2826878 3052938 1096293 2376026 3781740 3233100 543344 947630 1997352 2063523 2002572 1999134 736537 730302 682602 6118134 6217037 6646470 6087916 6161996 5626534 597530 610647 568096 3095154 3023249 3093209 5321218 5599945 5721969 5115156 4089292 3621231 537491 561034 566476 1996363 1862876 1813879 6359748 6254125 6025983 752624 703142 721688 6558390 6720026 6860097 5490698 5685525 5803354 5679674 5830995 5981528 5978786 5600112 5642166 N2-Methylguanosine 0 0 0 0 0 0 0 0 0 0 0 5402 41774 0 0 0 48638 50445 0 62610 0 0 0 0 0 65773 41390 0 0 0 0 0 0 0 0 0 0 56724 0 66883 0 0 0 0 63946 50656 0 48423 0 0 0 0 49141 0 0 0 0 0 0 0 0 0 0 0 49780 0 51764 44599 0 0 53896 0 0 0 0 45623 48405 0 85225 63753 65558 100189 197653 83310 124905 51442 99755 61962 57919 47083 75394 209660 71968 72514 209269 80243 0 62102 90560 75622 61664 0 93427 118213 0 47175 7279 3969 0 15323 5762 27705 103106 25781 25385 401624 88383 360492 0 90125 3598 47387 0 13581 216924 4636 388570 6232 8809 277020 237123 5516 5879 400591 22628 287935 12348 36121 0 24623 7216 6000 6273 9024 7859 406139 0 401753 10216 20427 22407 262801 63462 47481 28008 30264 6140 0 6873 76108 86371 81953 174160 193580 200867 11265 11964 4915 217227 220256 226513 169890 167446 174460 95548 61987 66378 231323 206337 241767 256394 240045 268879 4533 6308 15960 1023182 1053536 1021902 617653 625818 652765 248696 212361 232387 137862 130286 135114 128376 136438 137221 N-Acetylneuraminic acid 30888 13604 1279687 29986 16795 24715 24254 2581091 2332730 280192 2453503 237377 2549898 28688 16354 2303949 2036369 2466128 22670 2381771 14774 156127 30187 19818 127712 2445657 2685632 2489622 32514 25528 2387694 31851 25503 22743 125546 25169 174773 2491528 31896 2743700 17334 14604 217299 15278 2735532 2346812 27855 2485538 22210 17544 19306 24804 2425829 19009 38281 28609 1058252 24896 5220 248196 2616544 22813 26385 23988 2520702 288177 2613958 2395722 28050 1905941 2828305 25755 909418 26815 2200851 2096591 2320140 21192 2883582 2558269 3365940 2960143 2440937 2826380 2708054 2912560 3038309 2527351 2861780 2707848 3355048 2603024 2996534 3043750 3619284 2791834 2788141 3276905 3195797 2853794 2945527 3207774 2868125 2938525 3060564 4571706 56816 4121463 4830770 4415155 2280621 4813699 931128 4929038 4667444 5527294 5179284 5255427 4855738 5095618 129844 4930788 10650 4319852 4552690 3344650 4808081 4502600 4707844 5719531 4387131 4776117 3439935 4700883 4476902 6087074 928943 32135 4677376 49096 138492 4382326 2158980 4417192 4008942 4780954 757696 4983897 730397 1032169 1034183 5874678 5103560 13475301 14361635 13222989 12633031 12774108 14242217 220491 227614 210989 14217390 13343713 15084736 13139354 14257059 14355534 14099324 15091822 15194095 13095905 12894268 12977918 618946 595382 602682 12591352 13470447 15229783 13175683 13678144 14047405 15659790 14037392 14361389 17176718 16996928 18427556 14587236 13383484 14493985 14458557 14525635 14757889 12762208 14272620 13478331 14071846 13845559 13421147 Gly-Val 12455047 1220104 18359748 868406 13887344 3294837 1796168 25737662 25100018 18262554 26109734 17838724 27008124 1651289 1214264 23939852 37217984 38327636 1085590 34891748 984395 15416287 1938972 5353398 15375397 31043512 32141384 30445288 1413424 1566103 29589692 5080560 3229180 1000803 18046894 1093527 17789754 33840264 1485796 35161372 1087791 6426955 15171501 4712623 35957620 40302004 1272812 36403996 908199 1770137 1395592 1219320 33655464 1952166 14459225 3627792 19932108 1141636 1409531 17668560 29807986 2392974 7923338 1715133 29402344 20874300 33942392 33418976 1003629 22128100 30611590 2739945 19149800 7089051 21745230 37400792 34401776 1493514 40385448 42954780 43951672 15669400 21537502 41153992 44339676 20517022 48284808 20581920 42416304 22325466 42421356 35150916 16047463 46853452 59326188 38209320 12986446 39969912 17485074 42540388 41543416 11602007 50982500 51490764 13707998 66774912 66632908 63746000 59308040 25633630 33843044 9637267 158132000 99681536 97700920 72910040 160000240 70628120 81912856 146300384 27322474 78132248 29231062 10495824 149342496 103910608 71790224 23253592 108345208 10977717 156353952 167733776 100831032 73343000 33094304 11528762 34390624 100661032 83281128 95897776 33416452 33264622 33298862 9914576 76715152 72734672 34530752 78445968 108257912 101356496 30034738 10347130 75247008 110699032 113116736 99301568 49048324 51866608 48414732 109427888 110898656 109965968 123848344 121719616 118011080 1999858 1785995 2037782 87145048 84949904 86387192 118657464 120561720 122870400 145916752 111212280 101144344 3318263 3283817 3103319 125543760 123787608 123141656 135060016 135199696 132068320 11912292 11646448 11530332 127368464 128480824 127080824 119938176 120107920 120061584 122771744 126731384 123593088 121798832 120796048 115984760 Val-Ser 372915 362104 351572 314877 393537 357837 476044 146854 230139 321712 266110 136189 13868790 427212 429705 212095 12106678 15273487 211749 12106743 416769 400223 377549 354560 365043 11137626 14515078 1518016 418416 351837 953119 322008 356688 402949 393983 401457 348970 15686294 370102 14417429 354397 394078 377815 344985 17283444 18631780 375723 17161422 398581 375400 413926 403807 15888594 352151 395398 224043 345150 333441 222134 364116 1396996 405604 366722 333399 11277544 345852 15847914 14334386 375756 298044 14211254 462258 327471 363199 342672 16687760 15880269 355298 16775470 18376856 17977184 6123608 8726579 20479994 20668376 11897721 17170100 13141310 18854704 13268236 18676402 17628696 7208316 20290722 25631494 19587848 157817 17291872 7498374 17074126 18131072 304937 17391854 21766686 148788 9317425 33804692 33051336 17123976 346682 1090651 323704 95056472 48244920 45814616 36134820 93714704 34513260 22533460 89987264 557748 11457697 390553 349137 48240732 49853220 37789524 1269834 45475204 6497414 49949600 49257316 47865064 38894688 2240112 6693096 362742 47629208 21648784 44483108 573119 368955 1115510 318864 33027342 38957216 1129597 32979438 53214236 46626608 1856142 5864933 10362478 9651454 8962260 9712390 832665 884129 804322 54033616 54431248 53948492 49979372 50696708 49261584 1364422 1334162 1413099 17796996 16957270 17494682 53679708 54436476 49539208 29778260 23840226 23130056 1342085 1319860 1239606 12211466 11707614 11679065 52321588 55904252 55784208 6080018 5812838 6113684 47049984 47988104 51341800 45289768 45581916 45527020 50023468 52611504 48416524 47405364 45564264 47155836 Glycerophosphocholine 891221 451585 528442 436197 816236 493758 464256 9015440 8674239 512831 10292489 891816 459367104 1272727 492870 19112204 514472800 470703712 1232058 559374272 1233644 617965 969837 513172 475749 435851648 425851424 365794848 1219064 555763 329788032 964211 562912 846396 627158 518079 591105 501877888 1335694 527493888 1430815 705404 602464 439725 577091840 473926592 1410794 539126016 1442786 550329 562165 467436 554547904 1330790 522971 898549 643159 469843 411391 574141 330337248 876130 583126 581898 492071168 1077233 562049856 515634496 1375724 741035 491558432 1240582 675044 766887 661381 465805536 508546112 961504 621048448 639591488 556585024 1577535 524821248 583013312 521518048 1967854 114419208 893208 636811072 1947627 115020832 583728960 1451000 698083520 804439680 695382848 1550869 109492536 880095 549387072 112632792 747962 93786704 105493776 781821 660864128 669471296 729846272 799412800 1288618 364588 361797 858756992 810290944 867779328 862832448 851031488 860321280 903183680 842135232 513679 728087424 530868 509058 869407936 863400256 918081600 862125760 868552256 917814528 836431360 850384832 868077184 854746432 849255744 959647680 1288808 759396032 872596416 768197632 1266659 537531 502280 539190 722246272 876852800 1468802 894360832 930663744 849610624 923996224 868002112 703578816 1206319104 1232092160 1222818048 5445303 3777815 4061455 1037712128 1000411776 1047714880 1162256000 1204059264 1127749760 1199806464 1150234752 1116080896 1141869568 1100339072 1144682368 1173407744 1159970688 1116026240 1370075264 1180618880 1145688832 1180394240 1198402560 1165118976 1165332992 1136675328 1209513728 1183720320 1215016192 1245853952 1155858944 1190975360 1187300352 1171458048 1201048576 1151866496 1142757120 1134613248 1088166656 1200048896 1139117696 1197135360 1177885824 1140533504 1192954496 N,N-Dimethyldodecylamine N-oxide 21902 15104 8300 8922 14735 11678 12727 6766 8672 12836 7835 6927 0 9532 8270 11725 10372 7478 9782 7474 7359 12239 14821 16656 9338 8224 13319 16439 12645 10892 7578 30008 7465 30038 23162 10109 8270 14914 16549 13460 8649 27274 12555 15596 15819 18234 24455 12042 23479 12348 12881 7638 5694 26281 21010 10697 27798 19151 12409 18964 32642 21692 28508 13101 7680 10802 24866 16155 47354 28487 11493 251356 9280 16504 15864 11339 14368 12233 12936 9381 24339 12194 12484 15726 8939 10841 13977 14886 17807 8592 10862 8219 10863 12057 14006 16452 12672 22907 12040 40055 26572 8448 33643 23139 19533 1013139 811061 864008 710112 668890 770669 762655 763967 773541 803785 731139 768897 807153 760484 794235 756267 820223 756639 706387 719874 713112 670122 761967 782662 696551 771927 764266 747493 797226 784130 761340 742559 664316 611526 756432 1093154 600124 595534 705255 732856 639483 724339 743672 669573 603545 919691 695154 625942 268566 109400 209253 114632 78695 90472 103930 83661 99471 95232 451038 446735 124767 118361 105163 109357 75067 86960 81688 95501 78559 73511 68694 341172 138471 79767 84980 88080 84863 88478 91485 92589 102774 94289 89262 65411 83665 86082 82928 82619 89096 82316 124069 91029 89840 76568 74297 108103 Cyclo(Leu-Pro) 63091712 56835796 57342792 48889884 65250084 54340856 56575804 64964392 59503492 67069524 51427376 50119692 58126824 56953336 50025132 62251896 56782572 60799364 54273960 50305784 58044604 54864916 61718508 58947716 57383256 59657380 61109660 65935624 63269760 56393420 54022340 53964608 58564288 59591180 76505304 61514164 73972632 74982176 81906848 62805296 60791008 73674104 56021672 69567872 50091688 51963660 58371248 63570036 51102768 69513992 58217204 57198604 78439848 63677864 61794268 63122196 67057652 64121192 66864676 71391616 54878932 59171172 64387964 68718224 47089436 78067640 62243056 72711848 64349148 56784708 68223032 57437936 64132724 60947600 62974876 62130380 69839024 60363680 59174536 81097464 74066056 64638448 63382948 69280904 73971304 64316888 71481496 68039592 74421480 75638360 83222328 88964664 75780576 86085584 67782288 74794912 61440328 66221788 67192976 76938456 69856504 75848896 82833072 67076588 78573928 42251452 35278180 32506992 32714742 31018772 44655816 48285508 44343348 46073948 48029336 44868968 43474092 46693476 48799688 41135184 43427920 47297992 40269332 50435828 42857416 48068164 46763556 45863784 46008936 41540024 43553632 42750312 43955760 40545676 45284816 43555176 45264564 44923380 46471044 43367068 43406756 43825240 41171552 44669772 33512066 42050560 43254520 45112972 45633668 43013856 47770112 43588512 44347768 58614028 65345368 56745012 62455484 64727164 67436064 59320156 54002484 57760712 67656664 66121432 65251264 65455736 67284584 64876516 63942380 64284004 68599304 59905272 55373244 60217064 75893608 64815584 65642020 64153572 64280084 69060152 59295976 66923676 67966872 67997144 58627500 65812836 59717908 60623116 64358844 63295152 64821136 65461356 65378880 61762008 61889520 60455712 66573796 57185800 63879832 63366676 57554524 4-Guanidinobutyric acid 12926604 17478716 11397911 14704052 13222291 14461631 20606976 11274892 12281107 12481856 12916328 11813265 13516804 19456978 14906539 13206883 14537246 12213751 17108228 12712924 17164680 11992837 15014120 13980496 12594928 12802265 13725172 12667116 14993154 17942920 13321756 13641886 13262035 15362569 11536018 17544526 14838721 15836245 14130794 14951040 16313037 13069594 11943283 11775498 14041481 11994155 12691915 14480764 15022340 15357691 19783494 15713652 14714876 14102509 13660793 13814662 13458230 17583672 15818178 13320289 12124423 12506004 14688842 13299364 14058716 13175676 15399753 16389027 17419350 14328808 15225989 22253114 12664982 14777448 14231023 17081848 13462242 13702540 20005188 21322460 16589159 12260726 14250783 20974030 15440238 13182054 17436126 12840077 20560924 10624055 19057534 15048899 14133144 25259414 21073134 20981570 14543549 17983214 12488274 20873814 25444706 13194442 18694854 19664264 12583967 39358300 39501688 27244134 43000324 29095800 35391716 36753352 36108700 40413788 32764846 39349820 35684432 38276616 44510504 34031436 35797184 40458360 34497300 37590648 40266892 44203108 36816504 47355160 44091624 55133404 41426304 43726908 43176128 36495604 48516504 61062136 36350188 45060688 49870464 48100436 33904308 34459232 34676736 38104672 38308888 36995632 33452088 39888680 40407128 34185236 55079868 59424220 42173072 28446310 28178562 28506848 21726794 21749022 23868298 29687746 33960336 32158686 36720884 45861256 35873772 35027544 31859466 32688344 22684284 22325348 22806742 25074328 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18083052 1286010 3721806 2202662 2224214 16700606 4134995 13254693 6864482 15438606 1612988 2246640 15393620 17182476 5997554 9605773 4440824 17392218 14875173 17422084 16636996 1625073 15725302 14959655 3265900 17154172 9173484 15651807 19708050 18309478 2999552 27600834 25610452 21206120 9229332 22191928 28598170 24600152 16971094 24418960 18990042 26096258 15773329 24765926 23104416 10109313 32118224 38929376 29537830 14900273 22428220 11793395 21443592 27997958 14391352 24223090 23568274 14332789 20910664 12991132 19649618 21899334 18704666 22716000 20623306 89896864 27395118 28291176 30060130 92630840 27193774 27647714 82407368 20927720 26467534 18571478 19996390 31271522 30318120 33780988 23438938 29523296 25633184 28121688 29645522 27919474 33798872 25231010 28201232 22705492 16421607 29088934 17249092 19208900 23352268 23255226 20610154 18980460 35570260 24316876 27966008 29729536 26824098 26519390 23515390 23310504 59434448 57031880 53509964 46757860 42746072 44585672 49861840 52833784 57058244 61478408 67341952 67561128 16863580 19386496 18720148 38958272 38321356 40819696 63197752 59639280 70061648 83166888 62046952 64189416 16932390 17611206 16334860 45241232 45060500 44673964 65707440 75208104 73754992 54890204 51751324 54885312 65012820 68885104 63511528 53588084 55131940 51203068 66368232 67113792 61708940 59095504 60497172 62273368 Glu-Ser 741955 726241 536346 749715 788406 755549 672092 576722 527014 911167 636294 769004 367618 805930 877886 705749 381325 440617 684381 426422 687162 863461 863126 698656 829852 374797 362877 599544 739958 791001 253115 748703 801267 646866 720249 829193 732706 412845 692485 484881 746198 812197 739578 651404 482923 466286 691065 420095 683610 800524 679039 779517 430810 678840 820091 748249 707436 815851 832800 777216 319897 774531 706125 577532 415646 802291 447609 426705 791362 738838 392355 738391 785294 730856 605875 427808 410547 841519 685711 627895 682364 307471 530685 883971 794549 655469 730210 735613 721911 696073 610474 754628 332072 1073104 992716 766055 54697 574011 436018 691322 644834 71557 706876 902233 11540 367498 392356 446053 510349 20638 213719 370139 6455655 653935 587624 2237465 6739218 2238110 609024 6743267 100257 441040 160541 490192 864011 544787 1971555 613509 702033 1050642 839605 937324 525850 1948966 681651 1153818 23525 466452 583769 426935 505075 40118 220922 446929 453374 1986688 253792 2485850 660782 530475 697468 1040518 555990 2122652 2232919 2099847 96807 105034 112355 982476 972885 1036020 1701939 1614221 1497797 553344 644149 1067045 1558410 1795565 1728166 1552320 1492838 1526065 2063298 2147581 2441587 539693 553947 532338 943136 984248 803687 1472243 1458656 1569379 812279 1789597 782443 1899495 1901958 1876116 2227543 2187230 2123931 1603543 1519519 1543245 1450388 1633943 1482397 6-(gamma,gamma-Dimethylallylamino)purine riboside 0 0 12241 0 0 0 0 0 7914 0 6570 0 77335 0 0 6234 93470 125390 0 129226 0 0 0 0 0 127066 77769 18675 0 0 20064 0 0 0 0 0 0 220018 0 264619 0 0 0 0 169525 214747 0 204428 0 0 0 0 169772 0 0 0 7100 0 0 0 13544 0 0 0 220141 0 180014 191055 0 25403 137909 0 8104 0 34215 238378 179214 0 217602 184880 297206 17215 433365 192252 452790 142959 240401 145165 212802 133704 184422 418464 23051 265539 552311 154814 121264 191100 9906 368215 165278 98583 247423 249023 104478 891985 0 154924 0 10924 41958 48801 313712 142348 190374 605442 336303 581674 0 311255 18302 397339 10506 45527 282024 0 754151 9051 142735 465756 265641 283700 0 831561 0 486689 7678 6068 0 0 8730 21053 46527 39595 107116 713146 25866 466462 0 137950 0 375473 228588 5569 6359 4976 18715 22712 19385 0 0 0 972034 934932 894998 113627 153113 130960 786332 712303 720845 947736 886062 818231 12385 0 0 1094451 1096990 1115725 393248 405014 429179 0 8096 0 2522720 2597231 2435604 765450 613379 622721 992533 1041526 1048798 894880 929790 894301 811037 819108 785321 Ile-Lys 231639 394684 202241 261509 188946 216646 351835 1091834 390381 236969 1190041 192314 14509036 372291 338216 1518380 28044394 27762502 343103 19761724 341237 239543 234617 227586 294882 19506544 14097200 13532697 253445 370658 9638952 283770 227495 342421 183692 290926 273557 26133992 264727 28850566 334149 194666 260912 302040 27288876 27725016 334997 26471112 402394 345614 322587 342988 26152702 296243 214699 239817 217329 391319 318640 316676 12128325 256383 254963 341009 19684204 290969 28896632 30412472 362710 253315 15100079 496984 301782 321544 270137 27055944 33005664 243739 31432772 28807706 35617792 5371142 26279842 33662424 35860128 4139112 21851348 6320696 29697096 4753672 19694932 30574816 7016675 34433916 58851884 30796990 2579738 16787164 6645766 30876320 17895178 3091011 17084502 21598712 3028420 12066166 33905564 33476544 1076752 18365792 12179324 26919598 85550544 42689224 45275720 13431617 86888936 12338018 1244644 79734056 905099 13354045 921744 29778208 47400424 49539260 50336124 30608092 45051252 13806992 46751856 48458308 46841612 48322056 35217572 14782600 22783702 45983448 1278744 43698144 962781 21647432 12797988 27425660 34206772 50816440 13131276 12491729 46798708 48412912 35631400 12192656 13233020 3534516 3161029 3290822 35476596 34067640 33231332 93054408 92497992 94963832 96070688 95748992 91379784 35551856 36707324 34335028 11879673 11313151 11033406 102060872 100405136 104964704 3097372 2459693 2437980 95067352 90510392 94163400 62955804 65164040 63753436 105671608 108831584 109697720 25373982 25305756 23693734 111703032 112779304 110505352 82062168 81894432 83868088 97421368 99068024 101415528 98300208 99242864 98266112 Tetraethylene glycol 2442846 2161515 2042311 1946096 1952171 1738843 1963702 1256270 1433471 1442251 1345846 1789723 1855868 1793195 1507575 1373078 885745 1547088 1585694 1720039 1610056 1916496 1722595 1594382 1767982 1761646 1631065 2106636 1939109 2090208 1990406 2032421 1865933 2037832 2012028 1964373 1960377 2224577 1890344 2186178 1848263 1831354 2029520 1920923 2166606 2174463 1997784 1280350 1904214 1756214 2073957 1701746 1932870 1789319 4103160 1828805 2114781 2181002 2247064 1740995 2375860 1965834 1592938 1790598 2169326 2125423 2604977 2018539 2191806 2163796 2438266 2623407 2063408 1909697 2190067 1253695 2441778 1805178 2939514 2712211 3100094 3514243 1684168 1805640 3161431 3474659 3016125 3241061 3023678 2932416 3179868 1881631 3334603 2106661 3853289 1781656 3212785 3115662 3406842 2897489 3492260 2879974 3373789 3297951 3160120 4599619 4530805 4361460 3204648 2747905 2874499 2824654 2757426 2530222 2587136 2707817 2730955 2642378 2671005 2720505 2586319 3068725 2557510 3257927 2710596 2779834 2784745 2855450 2452480 2689197 2652082 2676471 2684953 2696052 4005965 2815562 2669202 2571159 2601994 2380980 2810027 2365695 2429283 2785631 2400908 2544536 2465604 2591776 3586199 2696672 2849511 2649290 2354942 3001290 2918686 3504656 2960514 2912610 3112248 3021492 2897561 2928320 2888198 3456658 3371270 3749285 3150904 3240989 2896163 3014410 3002885 2939790 2906595 2989356 4702532 2596080 2755610 3169051 2979758 3049759 2698651 2719212 2966290 3025678 3122908 3082439 3071147 2983186 2922722 3837826 2982654 2991672 3167856 3185730 3117754 2960988 3292655 2897466 2695394 2841517 2780120 3'-O-Methylguanosine 5364 0 85198 0 7558 15982 0 109587 101400 63890 127814 85755 377596 0 0 161625 458545 474605 0 487441 0 79845 15536 5872 71534 410949 398010 351440 22023 0 281425 5679 9997 0 57489 0 75355 491488 40474 445266 0 6284 81819 5770 412482 466229 12504 397505 0 19842 0 0 405681 13339 4717 0 87216 0 0 63261 350333 13182 0 15649 395076 83721 445572 355328 0 115087 361317 57102 81252 0 104004 444344 405774 25633 660505 583005 941524 3984239 1792228 794506 1365118 451987 617126 367738 731558 413006 473731 1507520 3917759 1131158 1836372 832723 5708 439734 3799046 1004155 493277 49564 586817 750058 50383 250742 243295 123419 83986 6359 18927 9826 1046555 175572 189160 1905430 1093056 1876310 120765 1076825 17819 296728 11981 7454 1028100 0 1188923 173130 178726 3050279 1026647 1051013 7204 1078439 121162 3307468 8265 215383 148524 202106 32327 5923 18711 7646 123069 1026196 12451 3038884 8074 188095 119002 2958481 188142 725178 685830 659824 23505 34593 26426 492500 495729 538011 869551 934680 857311 317861 292126 319879 604707 617090 638079 672671 685612 664095 710112 620148 513476 862540 870452 761758 1511784 1487166 1473468 31899 32708 22751 6426850 6475911 6629237 2761574 3096561 2942456 1387957 1358842 1481157 636342 661942 661164 658460 638236 681276 Trp-Gly 364600 88362 541182 60614 376436 159593 130300 458690 508287 524209 475264 418991 488469 101535 105058 510287 550189 482277 61678 475611 74876 463268 139266 202595 415227 542375 579719 540760 92002 85699 561510 180281 162035 62884 490077 74813 492705 601796 96944 535070 65776 242234 394999 188172 535987 593076 48495 585165 65961 109654 87766 93601 542062 124156 319558 154783 501790 70114 97953 483082 539300 134884 209134 124536 461847 493861 493732 532120 70010 530577 613323 119349 483922 258890 491317 553172 693831 120774 462488 433070 500529 96716 135277 413188 198722 346930 470427 317764 288197 365510 500298 195428 83435 312530 519028 387064 715663 432565 96800 513871 497318 600914 518036 488536 623561 8014272 7266236 5979660 7076110 1278983 2237596 1674546 14310214 9635598 10488639 9833595 13332605 8656125 10416220 14798604 2082076 10348058 2122569 1783832 11413400 10993308 12644804 8888456 11162639 1037999 11251185 12172063 9784182 11218632 9597549 1062608 1520430 10557493 9699794 10471117 2211562 1609494 2249136 1826428 7543038 12102654 2325762 9177796 10699722 9143418 9242705 978245 9264183 2772063 2639891 2766012 2550794 2431286 2741065 2685936 2300896 2594246 2374919 2368067 2434894 1585551 1698596 1599942 1924520 1880349 1909945 2427866 2735129 2688150 3423320 2948520 2468876 990843 1045420 965305 2639530 2714996 2525926 2662972 2823270 2563532 469565 488472 501370 3055186 2574304 2826643 1781334 1830533 1784193 2429855 2861441 2478172 2674327 2797109 2609824 Trimethylamine N-oxide (TMAO) 56601 113150 51320 90373 60919 74108 110561 46715 40905 53056 52632 51001 64968 125407 107378 36794 61578 63775 98151 56213 113640 58289 97584 73751 63717 72384 51002 49289 98511 141222 41361 80521 91506 124513 75575 138222 68691 68792 115489 68920 158578 90805 78526 108085 75654 73307 99863 62113 163235 123797 153710 124034 72381 141313 61007 100420 52993 158729 161668 74152 58076 102593 74056 144815 48900 53531 57180 54272 168387 53792 51701 139691 60582 89440 67331 68574 52950 141280 43182 50556 56730 78612 55367 55234 48320 80482 58013 89980 43977 83018 50887 52513 69781 50602 53406 71087 117245 69374 63588 50208 57384 104826 61891 49867 123040 253497 263601 338891 255958 305359 307692 366460 351670 458658 354549 324559 347540 341815 311122 325721 444190 259239 396449 348354 383213 390091 252280 348461 355133 320683 321136 280384 322899 245178 401026 291102 410030 348103 659846 314950 341436 452172 327699 525622 745770 474680 577763 683905 601551 475757 488870 535280 452191 6849 10072 86941 15340 3694 10896 6080 5992 6434 5792 7287 18101 3895 9844 9329 6388 19199 9695 3896 11582 6308 104087 5275 5803 7622 6204 7771 6989 6547 7309 12862 7562 4502 4545 5632 6791 5706 3864 6264 9941 7543 4056 6710 5204 71149 11886 11966 7732 Guanine 1287329 67776 33380740 57755 1483314 467981 69083 28747040 36522752 32332094 34904756 25859706 24034134 82695 69939 30952454 28987790 24407660 76969 27642160 84268 21165444 149208 118688 21019004 29522668 26481358 29663994 82404 75799 30890228 108184 139366 83269 17283124 86237 29183226 29776778 154674 28827512 85941 151096 26024516 106642 28189888 27868712 104263 30590290 83478 124277 87057 70712 25700050 132142 1745285 149301 36707012 88808 91358 32296568 28814182 179915 128526 157347 26506002 32847404 26520512 28355302 84010 31912410 26258270 71981 33382240 118154 36852332 33044966 28093352 111045 30803428 32049320 5696491 1607905 5995828 31215120 2081240 2018740 4641237 2310864 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178340 74155 68365 895662 944661 95029 578120 101193 75986 85893 70682 77947 570662 839448 82513 87007 152602 60352 67925 90190 89088 68232 125034 68283 1017067 97045 892233 130628 78545 84873 68856 1032957 929039 90790 795255 108880 90216 146728 97974 1103995 81168 82123 100069 75044 142340 140214 8645 64010 80688 75418 64198 614364 70860 961136 797464 122498 68375 824542 213559 54398 91157 9267 980236 976070 92367 1299164 1156851 1284778 353943 921913 1358580 1591387 689640 1305104 861370 1380770 773399 1244621 1238091 420755 1644498 2526803 1336847 24987 1047372 496570 1264166 1339817 19215 1305572 1446488 28339 2141180 1592655 1086796 1916781 48748 9097 147422 9930053 2367988 2318904 2660714 10220991 2454447 2212566 9978238 39476 3062566 10847 25643 2655162 2524931 2123912 1942548 2572843 1765811 2680872 2727326 2459187 2226605 2231996 1812088 67054 3020698 2312136 3010765 31877 81602 35562 21458 1813799 2254826 25551 2705462 2551048 2327982 2368656 1566410 3023540 2372976 2662170 2412030 103036 80531 69347 3550867 3146266 3454740 2379303 2935613 2726999 615893 709057 615667 2907278 2796315 2570767 2659460 2778560 2809091 3820676 2840985 2433916 258416 283005 268530 1206397 1249619 1201957 2768968 2854806 2960441 1101282 1113046 1183726 2924237 3011542 2891635 2636376 2567672 2658054 2731228 2989156 2755066 2568911 2643954 2648640 Asn-Thr 74793 67198 99387 62359 136147 64356 91399 164977 87897 99651 126439 89414 1095664 86884 62971 125283 1057495 1150056 48455 1054034 58308 164947 58458 69759 99698 953814 921938 298212 52695 66902 302232 97776 72455 58933 85934 38765 92902 1285850 69260 1073677 58872 73338 89498 102465 1181752 1263916 72028 1192590 57082 64897 71359 62438 977324 49948 78140 62426 90326 66480 61958 108211 341650 67606 66843 53912 1004233 98318 1061388 1140396 51598 101843 975778 112892 98923 62549 105694 1086874 1216888 60562 1728989 1712576 1767987 320611 899539 2224770 1765369 922294 1861179 1158650 2028730 1045150 1629701 1411595 381390 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756351 748184 786387 926688 599494 575948 826172 653785 503366 891585 984074 1007808 673681 979770 653367 1003245 666942 759475 826906 480471 1313772 1064729 882466 786277 788228 604593 675296 551839 779544 516005 707312 757790 738675 1044638 851943 726715 416510 362089 1041828 688477 786938 1145162 777073 707275 989665 663730 666882 675062 867105 770415 587779 888897 1174512 999885 766936 732652 814413 1013419 1069238 982911 1236990 1212227 1214769 1088182 1281579 1076190 1265646 913432 1203096 945294 1226222 1397234 1327787 2065916 1139817 764224 805724 1239829 868121 954574 760811 926787 801668 595821 1359262 263605 1133349 1698875 1201592 2079706 1744430 2375860 1502512 1655212 2171424 2356534 2037107 2344080 2439242 1793240 1703001 1794260 1936070 1640612 1662525 2180288 1950536 1539034 3367532 1599414 1699240 1533968 1975982 1879787 3603168 1641817 449669 2391220 381820 1825065 1658403 2551600 2138263 1408150 2234964 2592275 2603603 1935079 1990115 2055523 3034458 1623640 2928133 3127262 2919418 2132528 2052584 2188878 244251 239970 234097 2025990 2100979 2267322 2553300 2622629 2763781 2958499 3286623 3284298 2144492 2089494 2140651 3929520 2940944 2885612 2285120 2307672 2430426 2561660 2751301 2756408 2370305 2202145 1277955 3783117 3954030 4132212 1738774 1626421 1674044 2685620 2548350 2547328 1872950 2027742 1837098 1891013 1752667 1825865 3-Aminobenzoic acid 562655 556612 591448 557475 611526 531787 625371 612194 556452 491566 476872 455964 502700 538989 443499 511136 594631 516665 449123 470685 488870 473344 590385 596300 610155 555885 552335 665164 581544 645741 667186 528764 613591 607397 569728 541550 666019 542078 695026 645324 562951 498786 614061 573675 604401 631078 615291 738415 547967 554522 570519 561959 622874 537082 647968 566679 594674 586748 625237 682450 670256 495189 676447 612387 501141 586906 637376 439400 503369 737463 657175 827730 579445 632673 763321 699166 687070 517777 909042 834572 783978 927072 1087862 968970 853326 762094 925942 732160 928253 909072 951129 1022387 928516 1328805 2151586 1205134 818574 678357 979386 866296 933864 932596 917117 612387 874959 963652 854096 724757 904311 859316 1077864 1037911 1116840 928818 1023724 1006378 994282 898744 1260554 1007832 944086 799951 953172 1117616 1039587 1046061 1085434 1030975 1006566 1109535 1039138 953939 1018136 1052140 1113961 1238351 1140211 1238477 1158174 967430 1053092 1135590 1002356 1225306 763627 1045874 1041919 1190929 1125926 1098010 1256365 1028310 825361 2438633 2315468 2447090 2428606 2173879 2602806 2331176 2331850 2162822 2694801 2484625 2335958 2357108 2345551 2684561 1528271 1819081 1869986 2111026 2587004 2245563 3087142 2337159 2321423 2168412 2377937 2424976 2400788 2442440 2191432 2351240 2195062 2236038 2630996 2804082 3003401 2328520 1994380 2370672 2451706 2438063 2619961 2056749 2345160 2188708 2100418 2411267 2283691 Leu-Ser 196142 247951 301333 238760 238843 234119 259470 6105790 371839 241902 340525 229875 8119045 269943 248079 421676 8306902 10557522 248096 7766165 221352 250976 259024 252175 203076 8053624 8705387 1521268 264704 275348 1441080 206560 251046 236810 217106 239607 222977 9022196 241500 10124029 240941 234913 215031 231007 9204231 9529522 264522 9197866 248383 251403 253509 205778 9920532 255584 185909 249604 270321 246358 258501 2518912 1615510 261360 246024 240098 7372262 2875082 9095522 9068577 242943 281391 8470269 343480 231429 255189 4064440 9972076 10841306 253192 12747704 12377978 12259619 2272021 5770787 11689217 11628814 4051842 13449792 4534913 12949383 4234605 11928229 10330204 2527356 14681650 17377128 10966207 278492 11827812 2375549 11572866 11925082 279840 11215740 12799025 296732 3614734 22153756 21914746 11693367 562347 1260508 592955 56900812 31180536 30698888 16270041 61376088 14985505 15570324 55152620 603858 3965028 594804 594519 14403996 35735876 23675872 1263218 31619370 4724500 14595751 14553536 33448856 22405362 1913368 4989307 686685 31685434 16647860 29038368 601533 698374 1381355 640481 22183872 24648434 1456356 15822746 34299472 32496346 1822228 4167736 3934274 5332313 5269411 5050076 1144426 1124516 1203768 31508660 30546236 30397316 34125352 32825786 33542410 1169662 1198855 1148447 5706232 5863804 5942514 32783844 35547560 35834136 15204104 11958600 11917055 1216667 1124949 1205780 4152406 4385634 4145206 37219216 35603748 36899616 4467645 4396945 4476490 18042774 17872602 18051342 27480052 26060522 26006730 31017882 31791754 33649744 30979796 30233884 31536902 5'-DEOXYADENOSINE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10729 0 59923 0 0 0 0 0 52370 0 0 0 0 0 0 0 0 0 0 0 40081 0 29015 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 122125 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 126570 49505 222735 0 185455 0 40736 0 0 0 0 185779 55806 0 779004 0 0 4565 62929 114499 6223 0 47466 39575 0 11772 7530 5321 12067 0 0 7737 1324621 6239 0 5444 1319966 8527 0 1214511 5496 0 6250 9398 8418 6995 6196 0 9692 275479 6856 14534 0 0 6639 281479 0 0 6182 5872 0 7222 0 6297 9060 0 0 7102 5756 6047 7011 202422 0 4541 0 0 6260 4998 14776 7551 4691 5069 325034 418916 301942 17541 8563 10713 3975 0 4942 282547 5146 5458 6630 0 3907 5056 5228 0 5921 0 0 3873 15042 6992 2340578 2280179 2156837 41183 60350 41577 1003000 1042142 1020807 4774 21085 27200 14349 5368 6631 L-Homocitrulline 3487949 4415128 3157904 5254896 3609167 3633941 5390146 2537196 3151822 2832628 3217188 3220763 3648611 4573412 3913595 3347276 4012152 3339610 4225358 3370142 4153479 3272619 4276086 4042541 3546676 3095670 3696020 3112921 4414006 5400648 2616941 4015491 3632401 5253552 3646370 4883822 3324783 3207196 3993581 4073241 4673548 4360137 3615285 3933537 3521771 3306426 4333665 4059454 4784410 4364956 5375261 4185616 3342500 3615659 3647713 4329154 3154754 4875461 5426866 3282140 3063884 3925900 3853154 4034084 2768723 3247395 3811378 3319177 4852331 3238510 3169730 5888635 2993178 4014104 3474122 3494724 3202730 4408791 4498196 4252647 3971440 3988632 5156016 4806446 4317521 3198612 3773564 3252673 4212940 2940064 3585083 5005407 4060049 5109584 6149679 4353238 3806934 3753770 4240412 4119354 3494059 2889860 4194177 3908920 3702407 13884405 14797441 11235801 17212030 12794834 13835622 16489518 16718143 17973092 14446878 21315898 16379175 22106626 18760178 16337006 15384508 15496287 15662946 16185570 19840006 17270592 19992740 17560444 17745564 31955688 19191678 19775372 16762066 19809470 18725030 33659304 15324486 17242064 17801082 18818314 15172159 14574844 13231649 16767913 15360782 19179884 13254814 20903168 17505744 13633604 17996014 29451568 14882178 21691616 21037512 21258514 13365056 13103545 12959938 17364604 17173818 18051734 17097530 18437198 16819270 20687658 20227540 20446378 19872658 18370344 19508578 13270758 13287659 13180182 25061938 21954076 21787630 17346792 17136514 15446784 15308438 15048720 14860992 16866460 17772124 18051884 29398958 28934850 29845330 21671088 20980166 21647928 16636674 16993808 16273851 17328776 16161471 17184718 17561082 17103194 17319566 N-Acetylhistamine 11552291 93704256 2691142 70456328 13205188 38929184 108705232 1448356 1550607 3084286 1232412 4124441 357580 110291808 58192468 1304911 437394 837114 66897252 999277 66728672 6369856 57904424 36669544 6504950 975459 454326 1107182 64999312 105984120 1211580 32917340 39545820 70884784 6695832 78570256 4055744 1071957 51852024 872608 101135112 25815634 4052981 35832544 865139 893692 57968156 390277 71059152 55080232 113168912 55871868 912669 46147168 13064286 39351720 2464937 89845480 96608968 3928037 1147322 48945976 29848908 43133272 929549 3617816 519226 456027 78779640 1897827 452517 129311216 3080381 29847640 1954978 453281 399795 49244432 4109360 3554122 4647275 8531579 4310244 5821336 7459780 5668235 3514080 5769372 4001616 5706144 3216937 7184310 8476186 7844128 12745399 6180827 780284 2593970 8260991 4295626 2408465 857961 3191117 3956776 882042 15811429 1143605 1172554 26426856 1315568 46430504 1881866 3348235 1398227 1759114 3994655 3143807 3540798 41090936 3082384 129026944 18019870 116614144 1790671 1328303 1419908 2774930 1444637 1348149 2832057 1382015 1428421 1389483 2693590 1466281 2842549 1809689 1551781 37975836 1289010 83134832 1756774 42795628 1701072 954555 2672966 42945712 3504244 1405887 1711660 362674 2725639 15993149 5799928 5810882 5768148 1392888 1384935 1550338 2272226 2266163 2288806 2386124 2346773 2415012 1129505 1068724 1116867 14217637 14978222 15169175 4150228 3900454 3766289 14350030 11360745 11881111 1142333 1101582 1160909 4291859 4355325 4663210 1184498 1166814 1155024 2107584 2344701 2176306 1495527 1307630 1312874 6248979 6161211 6165834 1599473 1642890 1629725 2264204 2405716 2101560 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)- 22864928 22538632 21300748 21805830 17981892 20792990 15464287 19726050 21055842 19689102 19726504 18314532 17686768 16759253 18786168 18596478 19168192 22929538 18518910 20440294 14471200 16831726 17839844 20813140 19686154 23211772 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4028435 3935494 4039592 4041934 3687277 4135652 2'-Deoxyguanosine 0 0 4728 0 0 0 0 0 0 0 0 0 56928 0 0 0 71823 75882 0 50722 0 0 0 0 0 43533 54744 5085 0 0 7152 0 0 0 0 0 0 84597 0 121624 0 0 0 0 57765 71136 0 178489 0 0 0 0 84187 0 0 0 0 0 0 0 0 0 0 0 53645 0 72246 65333 6804 0 61940 0 0 0 0 93555 62045 0 118200 98325 396892 0 666877 154561 799306 20470 458222 7603 132059 0 122921 830367 17887 186070 1059850 119467 0 87775 10264 413637 125428 6900 424969 572271 5946 119974 170805 136879 104983 106764 6843 7841 78858 302170 351665 293447 192884 217165 150555 183012 228141 156869 214230 215921 433106 250278 249507 205579 372604 217154 258695 385472 163001 192369 174183 241106 308339 298748 288569 387903 291799 265434 212351 189377 278866 207055 201880 214270 157544 290434 144277 183048 158849 257330 258264 268183 234848 306186 243716 711317 702808 744313 903584 937218 737857 288033 155885 178587 403405 341265 233952 669568 651623 736929 283885 223894 226186 1211486 1209346 1063754 411128 472200 420899 147370 207686 194631 708751 737597 644207 1338416 1587531 1449500 1425102 1388644 1331028 587557 517406 580437 681093 667782 738607 3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione 1216560 1549118 1407399 1388320 1568439 1697659 1038802 1161007 1197626 1363062 1242994 1152478 865692 1018260 1113581 1192472 873488 850612 1292710 928648 1091207 988527 1446507 1214220 994230 1019724 1045269 1129340 1313465 1163959 1327613 1655656 1072572 1387736 1532950 1351014 1317162 1254348 1627670 1346451 1349337 1492773 1380060 1730641 1143833 1102486 1167739 1093684 1288357 1457962 1062599 1295473 1020161 1163967 1153155 1223511 1000632 826673 741807 1469578 1030221 1228784 1320290 1180083 1293008 1441352 996727 1103576 1428894 1232380 925367 1435368 1371898 1494481 1302398 901464 1137533 1175681 1333794 1014155 1350595 1443978 1402206 1457444 1186195 1211760 1181960 1401599 1290579 1442542 1527142 1283457 1160112 1592555 2060441 1209287 1176227 1188055 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2748589 948571 842417 2217834 23982506 26208726 19097836 1204484 6150443 23251774 734582 847058 1725818 2930829 1846547 7513036 34478836 1097733 26828668 3062204 705397 7605015 872095 30292484 32785152 1167172 31982806 2165940 1111465 5937258 1370420 25741670 989357 642845 980995 14977311 3553805 5269381 12488616 22343090 1059241 825263 886628 23563238 11568231 25062168 30288394 1849844 16696224 30254912 12731005 13697512 765109 15207903 30133480 32775852 1183063 29871342 31429432 41215316 12223076 51960584 37425772 55584248 24537158 40142656 31817952 32880062 29566380 31034518 77603848 12732830 40292004 83868632 34703336 27811986 33568908 15281138 32964178 33860128 23346982 36250368 48361448 28927828 70804536 56013048 60524356 53383060 62702492 54179512 40363268 292483904 77993552 73450320 366027520 307231072 350007456 66411812 282763264 64773160 68007544 64290700 38229712 3123651 78260856 256808000 40383276 76385464 53656608 2948982 3194238 78711064 245242272 47237016 56446628 76775880 71199544 62642716 73250112 58147064 74236728 56429304 41139824 61186972 243287456 55246928 364943456 82513232 72897856 45866792 54447232 72474712 66321316 67345056 65479996 91868008 91172752 95148488 119810624 117440528 119062200 110753592 115792568 110311096 2967212 2936092 4053320 109884432 106621936 103605992 111901824 112402304 111426592 101983952 81621808 84650736 2990494 3395879 3049908 80226304 79253824 74391896 136902336 140603568 136761728 51221336 49444988 49739232 2077963 1570196 1533838 118673912 112207616 120927176 107882136 111181352 110958344 116784976 117055560 114702720 Val-Met 295628 196168 411976 166803 265740 233604 278109 467925 333411 414093 436234 423012 3206129 210279 246831 486082 3666297 3575608 222579 2561530 190978 439360 304170 184441 426810 3101758 3001334 1480059 288592 189748 1640294 240587 176018 189546 397482 157084 433821 3775044 265704 3640958 180416 207317 458260 231759 3151023 3362368 299478 3435496 176821 276598 184422 228722 3673915 247035 339120 237860 395493 162396 158396 378622 1495480 251394 229647 194316 3223436 352911 3337393 3110012 148118 405927 3230548 317789 423378 228671 401474 3153320 3843322 272750 4169212 3893302 3487852 2298398 2145882 4450219 5202178 2853452 5073053 3097066 3318070 2359426 2945169 4442051 2856344 4144959 11342625 3931089 298369 3581214 3168708 3716095 3625423 276903 4992468 4731506 263928 1580001 14411604 13968619 4967922 4551198 18873656 377029 58957724 20835170 21080210 12101766 54374580 11316890 7446020 53428400 4427543 2025316 4293115 399375 22544356 25305572 19435364 294173 22147724 3519733 21805064 23631988 23398338 17325650 393774 3724899 6094538 21277062 7284021 20172022 4651016 6146097 17917048 423846 14414772 18542598 19252018 11859377 23589588 20357346 378366 2962962 1977613 909604 964348 867909 1343664 1165988 1441198 11488567 11939533 11467010 12038900 11704371 12004354 70174 102398 96965 909481 835878 883342 11943904 11997077 12398254 2557817 2521617 2430078 159770 128871 103764 3609024 3487244 3393616 14469562 14205280 15083907 1803636 1618984 1781565 15423098 13498007 14219172 14522663 13562137 14051688 12034964 12352861 12254030 9759958 10177243 9737521 5-Hydroxylysine 671975 302833 493457 264751 672236 938998 299189 460848 396647 472064 441694 499512 455885 224732 381100 451194 438901 522989 439400 518242 322342 453809 1003605 980498 559137 465138 393951 447636 761191 241628 483795 980074 991056 333647 484864 270127 532992 490566 1132990 494214 331642 1047666 503590 912153 474845 515622 691656 458654 227468 990509 339609 476305 474254 954236 671215 1085786 538566 301216 302427 531193 458539 1035347 1044676 901610 480022 572744 456629 447778 242389 429003 439227 371310 496005 1022887 546255 462173 489362 872680 695714 643368 674883 794439 746167 1018005 591114 744541 625221 722038 609482 691999 702206 705994 712478 1132324 1134369 996942 636750 575349 694849 624604 679201 626752 595848 583027 590974 2607104 964950 798992 3098060 2548359 3624723 2826249 4443938 2590610 2559520 4961968 4114836 4443064 3198300 4183360 3224460 4112002 3370324 3138700 2711197 3326693 4122670 2708547 2940772 7513455 2576168 2626265 3324534 3914926 2950769 7342330 2897990 2945189 3327360 3094770 3505856 3023818 4013910 3052149 1730172 4346903 3876815 4891396 3228833 2687043 2983752 6557627 4261601 2350130 2219924 2301798 1952711 2025914 1902303 1932683 2041178 2057965 2034760 2123360 1718778 2153938 1975145 1944364 2211101 2176070 2003581 2062633 2100620 1945178 3176525 2424632 2154556 2131882 2102350 1741150 2310491 2380296 2026841 2203634 2488562 2320030 3619172 3478275 3744403 1685734 1811060 1702071 2169576 2133601 2134854 1977061 1957202 2008597 2088212 1874673 2063553 .alpha.-L-Glu-L-Tyr 422465 236397 422139 251191 400254 301527 238727 415255 379688 464240 469155 358358 425429 229981 325150 482762 383014 515666 312127 516392 302301 422464 449577 339808 396534 529434 434858 525144 347226 262759 507242 376012 476462 314797 415872 254981 436570 490726 316175 512827 204160 388399 433592 343342 523156 542004 285662 557080 248382 409777 254608 251496 523532 366720 367383 357007 428137 216723 221787 451957 554917 350206 415910 335029 463122 403900 480470 461724 245128 455887 454934 266777 420439 431766 458622 504389 473831 317875 571395 632925 615060 292067 614327 797962 597244 645068 418509 641143 752664 694474 663804 533577 326853 854554 1120800 763541 396161 602849 388416 567515 706348 407654 497054 558271 479742 449097 521428 557208 638767 614217 733931 664610 2180677 686161 705328 816032 2080041 749183 837610 2067156 754909 560880 707070 715056 872089 808634 774954 693516 674737 518796 806754 941619 788328 818607 775497 508287 683591 698690 697420 624798 701537 740809 752269 676122 613168 838372 765680 809744 795898 765331 728791 438664 605870 1074471 1089588 1076916 1092234 1009262 1034714 1286327 1313235 1313432 1362493 1493914 1330878 1145517 1078240 1076657 806092 782742 769008 1496594 1442826 1445606 1597236 1182776 1292181 1272930 1202129 1316564 409934 438863 451150 1533046 1514272 1560954 841969 924145 920093 1712076 1732103 1710915 1235409 1162988 1260543 1422614 1352391 1391920 1293144 1260262 1314280 DL-Norleucinamide 1193751 783792 1153725 899689 1277769 771172 810802 1271975 1016558 980205 1107618 969027 677374 665776 756656 1124750 841939 825148 977252 870301 964906 1039998 935047 1124427 1088610 877640 801340 1093368 954488 923036 1271977 1354897 1532417 1058331 1337894 1148251 1372202 1011546 1075176 959720 834067 1497956 1311137 1255786 930008 1110646 1038260 1057912 1176428 1060968 981918 1025048 1125470 1097790 1555491 1012856 1450454 1010641 871049 1131367 1134726 1049404 1698384 1134417 1148607 1429647 1008653 863086 986548 1546603 1037485 1130391 1594375 1489249 1709518 1168772 1143780 895804 1796304 1569371 1387785 2199123 1830326 2952561 2061935 2323181 1555508 2416428 1754005 2383532 1635296 1637702 1575182 2883962 3369148 2218158 801419 1390262 1710820 1228160 1354974 820148 1265995 1286736 892206 1735630 257692 1074200 1266735 899407 1467472 1249560 4164146 1877025 1783192 5023844 4155914 4688211 1490680 4076168 1469291 2072066 1339001 1555884 2119824 1384570 3560335 1923626 2011433 6568028 1850544 1915706 1097945 3211511 2022514 7398282 1319845 722584 1765102 491021 1374916 1838284 2426684 1776474 1963471 3593727 2090369 5296732 1511791 2076326 2162878 6133076 2068762 4569874 4549242 4313181 3141003 3093243 3256820 382247 379234 400962 2657996 2515832 2533477 3992728 4183554 3998844 6531080 8295364 8940260 3099750 3179016 3117440 4102735 4116382 4044659 3518433 3523580 3674344 5444734 5424630 5172936 3998739 3956654 4059248 9637459 9831001 10337214 2716119 2655102 2686013 3349869 3440772 3477204 2251413 2234849 2237534 2564036 2502950 2588003 Ser-His 128270 72988 288761 59107 129651 70513 74841 632117 287962 202165 697647 201871 1275900 67608 59190 696556 1439562 1612212 71542 1412514 54500 162274 71525 84639 187229 1266449 1125879 1171748 70056 55113 1171775 80484 78873 63285 201232 46755 199273 1391115 78011 1464770 59414 101292 220407 88506 1332745 1579822 65090 1416423 53716 70734 75473 63510 1433883 75310 156812 73399 304545 58484 60810 211217 1048639 89610 104997 71210 1424819 263840 1371692 1485827 52474 397913 1308993 84881 245043 89058 382360 1444187 1532883 78554 1511759 1363105 1467512 973641 1196353 1569034 1411926 920237 1227794 929729 1373010 893402 1360792 1406263 972276 1604555 1955180 1641979 179668 1298678 988618 1453155 1461616 192507 1193679 1110203 208753 2448658 9043702 5143430 941055 669969 1061101 718554 22859422 7808554 7572594 17066586 21120256 15291591 1049971 21371704 809568 2849344 801377 800822 10011147 7977420 12902029 2332552 8019060 4781848 9900453 9712737 7826725 12260935 3182869 4677475 818437 12176373 1045311 12530786 782500 819119 1074334 777754 6384332 13051944 1149250 16272992 7909896 7506144 3088624 4467028 2786808 1200645 1234722 1190537 623897 634758 549927 15122499 15811553 15805023 4555932 4693726 4059050 633523 601595 606325 2190410 2167807 2076736 5091542 4914102 4684173 1361881 1089260 1017743 367082 403124 333838 1928053 1975092 1842966 4378738 4804577 4701718 1679084 1640488 1589478 4653877 4941700 4749840 4699906 4721312 4873007 4470521 4710122 4806888 3782196 3762958 3991773 Asp-Phe 440521 295292 502957 264970 437774 396061 193610 451524 521157 545897 514358 526331 552695 174634 353050 515955 675270 590455 360648 620492 351522 541988 447758 401769 508887 623379 452843 558107 379376 203977 574543 380549 388794 353523 471474 317832 511843 548027 405660 602670 321620 432353 480250 387297 686734 619470 424332 662605 284574 426294 252934 406275 559464 433008 452431 464956 474070 224044 231145 535256 534987 368854 377557 352700 603419 540074 528859 556759 285850 488021 479123 223443 391777 415137 487430 661695 675352 396114 1196118 964895 1071417 151018 857331 1567742 1257488 415858 764782 465755 1313598 358755 925196 977113 179976 2030176 2183698 1103152 14526 888153 142618 973534 861249 7502 765091 913980 11066 561122 435150 887025 528527 146359 388262 366950 10194430 1215300 1234868 5066787 10250210 5208042 637225 10198770 156710 579553 215238 413295 1363988 1332403 3200094 1029236 1288692 2930013 1383255 1481373 1303733 3074656 1046936 2841524 177221 580542 550506 594930 438296 109370 367557 361129 944653 3204977 390576 5359054 1350916 1245390 1095791 2834395 746533 1710945 1708973 1742726 792272 770959 810377 1959438 1761352 1801424 2234556 2259096 2093589 1553851 1724469 1670076 1892718 1982661 1963470 2176110 1960044 2165468 1852257 1593294 1443710 2084775 2086244 2244534 2115762 1993320 1995438 2166312 2121068 2287584 2591102 2453965 2279558 2761344 2791220 2821322 2506290 2365050 2238243 2342326 2188278 2140671 2042259 1918986 2019070 L-Saccharopine 3308486 1027898 3440051 852440 3232340 2858052 1065606 3030824 3611942 3413181 3342069 3481312 3067267 1010810 728094 2992480 2746070 3091408 734636 3103522 788670 3377078 1593025 2958101 3341054 3087429 2982884 3882944 917726 847928 3713371 3319636 2972612 814093 4351434 722293 3917311 3097714 1530738 3467804 962945 3610836 3940812 2931918 3101594 2758228 954872 3377211 835134 1560816 896966 760773 3131852 2517597 3615407 3310743 3794272 863688 979176 3269349 3600202 2503703 4425636 2016535 2733830 4227840 3080789 3019715 882178 4106296 3360321 1220048 3802276 3530020 3757017 3540960 3274915 849810 4199508 3975951 4180009 4322154 4634737 4921086 4458554 4180033 3531660 4453590 3693734 4416232 3832328 4565903 4608376 5411351 8358676 5241782 5297928 3955591 5037293 4331790 4409984 4970102 4029270 3709480 5358416 3947039 287781 2284364 4609052 4002769 4931156 5517236 12308000 5253542 3395412 5914838 12041958 5474474 6161205 12413746 5498736 5552179 5444458 5766931 6414563 5897080 5846095 5723346 5746717 6417022 6145680 6412543 5640502 5593208 6129968 6908890 5771546 389717 6030406 416386 5569716 5950425 5833150 6003251 4207372 5549779 5837750 5845922 6068612 3710272 6153880 6485194 5465976 15998822 15391831 15522547 15509455 14796104 15104534 4028140 4152646 4612433 13560596 15044687 12510587 14820396 14908084 14962070 15458292 14514705 13642296 11955772 11719392 11788673 21484590 17132270 14888753 13535733 13424467 13152650 14777032 16203688 15462961 13290803 13744456 15127921 15712342 15418370 16470652 15722976 16735450 15778492 13874931 14476258 14103005 13671931 13363042 14935075 13113596 13886058 14328658 L-Glutamine 643144 421602 14223525 345399 581955 363316 529235 15584060 13753085 11008803 16265756 9066926 19538198 504121 327370 17350090 15098015 19990216 339178 20747760 366580 6408218 349130 309179 6291916 17557928 16867966 21377118 402770 565914 19138968 327018 326438 334868 6513270 421482 8882502 19527488 408852 21832066 418579 345389 8573983 273520 22144628 19481272 357460 19198466 393596 301516 626835 360515 21457128 303230 1060555 333499 13528693 452743 496116 11339248 20842944 320253 358280 308811 21394430 10817046 19108508 19769066 381988 13227044 18899312 690923 12934937 379586 16348729 17844428 21350986 376227 23038256 19261992 23038848 26821962 8332519 24777396 16427076 31013276 36035220 31743458 21344640 30965370 27255106 15001921 30098510 32643856 29433782 26532024 2625320 26697604 29614468 18901750 26830992 2191214 28516674 34541380 2304891 47703532 56047324 508647 49837864 8204723 16826736 34412632 78348424 75460272 780753 42693920 75146120 41223284 65540152 77142832 12597294 56665412 12401779 36906568 76936984 73770560 39092748 20829064 77778040 51566528 78297848 81213568 74573752 36821108 19420628 55201588 10624225 75344216 64215604 71606168 13298717 10456090 17756742 37840120 59287976 38329720 17076298 40024500 77357784 684358 20393418 47209920 53689156 42688872 46237916 43850980 7644210 6994718 7415868 55488520 54171388 56171068 55755720 55817636 53901408 28006962 28253020 27360500 54738320 50334000 53550364 203836 1162503 1102234 74711216 51608608 50114036 75890544 77672536 81999952 48152036 48459780 50468840 62326260 62355540 65137216 107128424 107927376 117253248 61210772 64520240 60911688 52134896 52496460 50879932 58263468 58659492 57958376 59745988 56231016 58446208 Glycyl-L-4-hydroxyproline 1101952 683413 907380 907449 1069884 1692867 1020539 785542 1092264 889320 914592 933007 798226 1133435 1269346 831162 883954 861046 1133379 838649 893757 991079 1279554 1570122 1289836 822749 893331 857694 1333208 1007036 962694 1625129 1456611 928784 1182674 851040 1152340 781670 1456993 885514 850733 1290617 1110702 1488089 929737 867099 1476018 871046 771021 1687483 1022291 1397175 826755 1372390 1155560 1715603 887157 763109 1053873 1072616 946174 1492444 1381239 1655254 768279 869350 875668 842963 842260 946374 864100 1302984 1078414 1469428 904045 773625 903717 1431483 1304130 1231942 1488142 2300482 1567040 2080173 2589928 1793382 1829882 2454817 1480981 2177916 1174772 2119810 2195888 1915852 1799717 1670243 901988 1197914 2456826 1278756 1343694 920161 1650435 2253721 1234758 20495440 9121031 15976625 17120030 17180488 21550516 2600052 34576844 18370790 19868794 39717688 32714766 37460616 21318970 30583550 20565908 19850542 20158252 2590232 19508816 19897418 27641002 19022390 18953990 19402650 18895034 18696872 18749772 28462438 19551840 19607744 20743292 12639814 19829902 11956840 20982202 21017928 21304720 2408726 15818015 28342458 21631602 41690228 18425824 18769064 20254930 17902344 20790926 4523465 4567105 4658496 4784052 4566996 4498784 2689144 2506270 2705374 4493772 4415220 4216369 3707878 3741021 3776550 4222900 4434765 4086490 3994379 3962500 4193810 5354578 4990552 4648484 656606 718021 651618 4473657 4202249 4123869 4281020 4577432 4469803 15471752 14398174 14404285 4890493 4181454 4379312 6076810 6375766 6002105 4268610 4008686 4131714 4265414 3943060 4087466 S-Adenosyl-homocysteine 0 0 0 0 0 0 0 165766 35291 0 189636 0 405529 0 0 248274 469960 456394 0 378011 0 0 0 0 0 381228 474218 419263 0 0 394545 0 0 0 0 0 0 403542 0 520778 0 0 0 0 452771 364819 0 520316 0 0 0 0 495800 0 0 0 0 0 0 0 375413 0 0 0 412292 0 528460 507938 0 35940 482398 0 0 0 20209 494945 409957 0 553716 552682 593601 43691 1206608 718090 836366 0 244629 0 496920 0 128466 1211454 16665 710797 1477753 622046 6802 144733 38113 699182 149282 0 235652 352168 0 0 0 0 0 0 0 0 1426081 415192 0 0 1391584 0 0 1420755 0 0 0 0 0 0 4731424 0 433493 5392607 0 0 0 5530380 0 5824238 0 0 0 0 0 0 0 0 372155 5007588 0 0 0 0 0 5233463 0 0 0 0 0 0 0 0 0 0 2343674 2448171 2213292 0 0 0 0 0 0 1612046 1515305 1486012 0 0 0 0 0 0 0 0 0 0 0 0 12966961 13322313 14089653 824451 963803 875206 1230001 1221740 984896 2041714 2026182 1899472 2263856 1995521 2206080 Pro-Leu 32782198 19255670 44263356 9138740 35166492 18331450 31889178 46166448 46700628 42768816 47008180 39109452 48538052 22050806 9059791 50097448 42867128 52335372 8814803 51674400 7972686 38074900 15022977 25499864 38414932 54267440 47710080 57361256 10994081 21581572 50679812 23196538 17774488 7633281 37938788 9156248 40088016 57764528 10819274 53129884 15482254 26267956 40590788 17175738 47962520 57023232 11256471 47268232 8647260 12053662 22580564 9856586 48251972 13912785 27327272 17600948 39812008 17583198 19721992 39908820 54979876 14825564 20405212 13568994 42561124 43868408 50356144 54398892 8528482 42536644 46113492 39449568 44366876 28668576 46792700 52853168 51399896 10141221 73647080 68681712 74055616 63664232 57208372 94726856 105210984 108061136 118933856 126691648 74359120 130584056 67816920 104484112 76312360 97946840 139277072 72327448 59331464 66901740 74162680 66462912 70646696 62500508 115498736 120429104 68880504 150114336 111883808 76732784 116628344 116200328 144306816 5825695 713150656 144418512 126010408 696610496 708708160 650117632 152226192 679640256 132297712 180478112 121883872 6042316 139842384 146698144 337816448 58234652 150613632 200435104 148112240 151517136 140573168 328996800 77620176 192724288 149510048 148243376 149516544 138167600 129372968 144943216 149669808 10979802 107272304 327085696 152005344 675950208 148314848 130477720 75100304 171596256 171577104 371549888 373087936 360523616 253032016 252299536 257815824 262650384 255437232 268960032 279827872 281213088 256967136 8503370 8447501 8534768 328357696 301505184 300878720 250818496 251461232 261722512 457644128 388350304 392094272 6539264 5846870 6969594 332411936 310607072 328809536 247349936 264464016 273574848 124575416 123031552 120913928 269871328 267510352 252805360 366650016 342012800 350222720 271855424 277810816 275454784 272445376 263506208 278114016 Lys-Thr 165975 190443 3468340 186170 154203 164280 240150 4377462 4322443 2949966 4958501 1981734 13346865 246967 184718 4566782 14929203 12967640 194209 14999338 190953 545480 172848 159030 447435 15288237 13795018 12999363 201228 221871 12349500 173396 177163 213622 524068 185439 2007692 14500060 188780 14832894 199258 189928 2335792 133632 16755062 16200146 225021 15381841 220607 188164 230006 202970 15383827 172999 190783 186766 3703059 212682 229842 2908846 12611122 170821 189653 168452 16226621 3323910 16288191 15824328 235037 4109726 13128250 272643 4135060 172876 4300603 15329027 16585382 170887 15014586 16008971 17094950 5543478 13887514 13822402 19340586 5072236 15524724 6255318 15261794 5990531 15353520 16600728 5746596 16015601 22648358 16513562 1139110 15473050 5726902 15927888 17499790 1084286 14782813 13993180 1113992 21361224 26362600 25758442 12823795 18307830 26696644 24699920 69609264 38185664 36796572 21067156 74842488 20101862 15898338 72847648 8422708 25919750 8079355 26277604 23540072 37756888 42335608 29438316 39369496 16130571 24270922 23943296 36395700 40297316 31824644 17082336 18797122 38708152 15193458 35279764 8867178 19979372 27570062 25120834 31027912 40417184 27507000 21435812 38906012 38130728 32474130 15585756 26773820 16544120 15928922 16087640 12427979 11993583 11691787 50351260 51994472 52349784 49987964 53234620 44383896 21376204 21346512 20207004 38939512 34855960 33286830 53868604 56181996 53856348 28881894 23986866 21630292 31336760 31428208 28681846 28763704 31266090 27977462 50350644 56488440 56639572 13346474 12620494 12308467 33149620 34884536 31264936 49111844 48074192 49751832 52089972 51168860 54002324 52158656 50129920 54883400 Guanosine 3',5'-cyclic monophosphate 123159 0 2470407 0 136063 9902 0 3491754 2856834 2165056 3645319 1394722 3500948 0 0 3241548 3016345 4489836 0 4270704 0 1199252 0 0 912809 4214376 3572740 4510895 0 0 4074803 0 0 0 1025033 0 1435479 4539803 0 4008699 0 0 1678869 0 4642059 4786876 0 4548167 0 0 0 0 4354821 0 174737 0 2335400 0 0 2014298 4906304 0 0 0 3883789 2069303 3935454 3742560 0 3391138 3914171 0 2511216 0 3494897 4442860 3986953 0 3979496 4795792 4047680 73721 2908278 4800695 3079368 154436 2764928 165201 4577374 167464 4889914 3436652 87692 5112126 6523302 4939282 0 4519631 107719 3815893 5052469 0 3107754 3236412 0 5927798 4546626 1571220 1816681 39841 30624 2161946 550015 2097465 1973661 12565 542592 17322 2241701 503892 928959 7076467 653481 2026303 0 1947854 437836 2031604 2138340 0 0 0 2000411 415119 2106043 0 55021 6623238 2099304 6250666 283674 37348 49385 2139410 1577597 408162 24934 17406 2188262 2009399 2012189 0 6562760 9821783 9473294 9987238 8291 6064 0 24397144 24368746 24677176 8916195 9209487 8560792 9428489 9589009 9594526 17822380 16110223 17416598 10136751 10166363 9339590 13627654 9693979 9153131 11273005 11347360 12115302 8210661 8930838 8347833 8738896 9284877 9315614 2271606 2288009 2463666 117773 0 0 7204255 7193912 7144614 9468035 9613310 8987129 9735976 8960525 9735704 3-Methyladenine 212852 12221 227383 202871 198790 203182 7516 182247 211506 211322 202435 194208 151857 241178 14025 193767 74586 200117 9639 185561 19218 8604 6518 200885 198560 86691 100263 206230 11321 275103 208177 7250 253821 195063 8920 9614 16398 185588 14253 127813 9202 228579 230794 185671 194010 5481 9181 178021 14121 5075 386103 12702 185055 234394 200897 233756 206256 13985 7709 13393 82557 5916 228170 6498 193124 203810 8059 164328 239302 206741 130349 5087 219606 6919 202664 153424 178759 316428 248307 237289 272303 6090 6002 282272 8886 8313 238612 256814 263545 10632 6316 252131 167807 294343 284960 10408 160491 216694 110773 265639 12666 5132 248583 125446 276674 32973 9941 11201 9655 44361 22139 16838 16227 13007 64098 25916 53623 10308 347626 15947 257430 8822 257176 57232 8894 9579 11073 23646 59214 54321 55569 74796 53110 7809 57386 25148 47985 63143 451511 41981 211507 68270 448201 59014 6851 44091 14022 12818 64355 19284 69369 47742 50193 244215 15084 257070 6736 11427 9959 10269 979786 9617 16817 215677 239993 1253705 8290 11561 435329 388088 343746 8754 7171 12017 320918 248242 26176 1095635 1084318 10434 9839 242147 15068 20720 13144 16561 42982 49547 12062 62788 49526 45402 224112 7116 224996 205659 241367 9318 212296 14722 16685 Histidinol 3613951 8163 7297006 13808 3350054 332636 8323 7182570 7000916 7509922 7562368 7823339 6752070 6802 27739 6444290 6416329 6818658 18580 6745224 20182 8021638 102423 589456 7473573 6983356 6913504 6019133 57716 14898 7396182 581735 278199 19047 7609756 24264 7227428 6981228 73320 6271628 30418 1048818 8112490 654580 7369606 7351108 59275 7105584 7696 119141 15865 32168 7166548 210553 4187078 283164 7513650 16581 12249 7547421 8100188 200959 1115392 132456 7112058 8346769 6936836 7432780 24745 7757704 6840086 30112 7912166 1028827 8197519 7313552 7904760 60409 8157161 8503388 7410746 10226740 7591209 9235490 8165462 8580845 7463228 9472095 7359807 10318838 7611664 8219891 9576319 9271044 9756563 8636199 8618380 6846540 11140518 7135583 8027250 7712750 8164026 8089826 7965692 161522 3873710 3369266 4274102 4147850 5473428 3895883 5880062 4263413 4329430 6395940 5646062 6361280 4807464 5799254 5077168 134786 4615902 3938145 4416692 5514983 5703936 3126756 4753882 8292816 4587290 4628498 5424832 5709221 3002185 8195163 4497927 4711693 4982432 4647486 4859154 4979816 5118814 4268102 4068926 5757227 4924958 6419622 5249728 4247687 3218959 7799276 164633 11389714 11241099 10394112 11018413 10998989 10764426 10986512 10798719 10724705 11169135 10349001 10321370 7519398 7530748 7251340 70851 116771 103997 10589358 10652260 11417384 13157521 10495330 10591178 11854403 11537860 12100180 10565131 11760134 11376192 13861438 13457829 12740189 14303154 13842245 13871571 10648262 11152909 11068089 11039937 10244027 11137618 10152024 10986218 11033798 10372011 10564236 10253398 Tyr-His 50107 3982 115725 0 67043 5060 0 97821 106738 93557 80599 104429 288534 4767 32409 95083 335783 320404 3964 261084 0 107949 7624 6927 105459 299509 345296 181384 0 6026 176642 13655 5385 0 114213 6084 110796 346210 7584 325326 0 10135 110257 15794 387499 365881 0 361821 33172 4997 0 16464 303552 0 56967 4968 89584 7340 0 109615 147306 8474 8429 0 261249 99708 311737 327368 0 94526 330061 0 101515 16782 94985 330674 343119 5816 289699 212063 173382 104340 178942 282646 121282 121398 41954 153477 258128 115816 221082 87169 129803 247169 226535 275741 79627 250652 138366 192222 215981 75487 48421 38875 128222 6620485 356373 7085613 2792055 5465321 4298818 5912463 14437641 8819296 8040390 5716382 15517314 5583061 4285098 15390977 7376530 8302142 6843210 5699654 20430724 18904612 9444819 10943394 10941948 1042583 20611148 24630730 19770020 9316845 12212103 1067337 6294995 436231 4682332 434557 7421790 6387366 3885651 5993426 7966808 9276536 4484818 6299082 22042660 9926651 11743592 1120043 9259632 55855 73856 73531 444578 397920 432446 729677 18934 744386 666849 851791 605283 447300 452040 419821 696335 610634 538560 769669 729650 760757 392694 11005 297930 32313 37129 31198 9996 285770 253686 1256457 1499694 1372638 122425 801187 98987 1234974 1407146 1209773 620808 529472 574190 753030 703919 774167 701951 666172 766062 Ala-Ile 487761 101244 1958194 291419 580492 282426 365986 2194084 1933111 1723289 2185460 1536080 10382006 143914 246514 2208614 12261261 10551329 142952 10635101 129696 1198136 253574 348521 1120411 11045893 11695710 7903442 204818 145315 6611262 333889 222770 116394 1133825 111569 1413824 12851542 205228 12482863 308935 411697 1528132 334101 12123201 12511869 186255 14863755 121696 200529 354760 176270 13521768 258769 712852 291328 1726897 330235 333378 1593132 6525592 238195 384908 204850 13123923 1849479 13814596 14078497 124574 1876410 11912445 203745 2171944 397165 2219188 13765842 12419373 202400 13422203 12376902 9402709 1859926 5947510 12994296 7460212 3818720 7510307 3766009 13286165 3697990 11526239 6396754 2278670 9953624 3993915 11755710 762089 12741685 2704100 9744168 11376068 750775 9243848 6971838 847398 4719181 62892484 65257600 38197348 20738582 46877328 736239 118260904 102101048 100704872 28838748 107510424 25345584 52476960 106243904 24334748 7284324 24254552 966928 95606096 117228584 41443260 1673421 109318856 8707266 84983120 85662928 106237272 43637816 2722892 8718715 28426620 106451264 53351636 103693264 28101792 28693426 48229356 1041684 81240896 44536900 50167548 28102692 118731312 106444944 2426590 8016346 6708882 8736149 9383256 9323833 7287778 6256378 7390674 55063904 53869148 54703916 59262108 56807800 55067868 496673 437277 477694 6813107 6480472 6944040 59153488 61281440 59854764 32006380 24093898 21108420 1016273 1122841 614628 18957528 18481996 18532402 67773512 57500044 63443096 6271842 5764619 6260484 61568328 52159268 59729064 42850584 42092072 44274632 58223004 62988988 58312116 55821196 53419988 57807316 Asp-Leu 122201 176302 107961 168200 126803 116879 235311 2165951 136227 116642 86785 114830 2934772 191283 150384 2298471 3669492 4096740 173250 2650339 151441 126210 191674 141290 117667 3206760 2395780 1058280 117386 214993 90540 130642 136232 155552 124278 153430 120340 4786526 135673 4531732 159264 138090 130898 135323 4042624 5085442 134778 2972248 161740 157677 209333 150999 4068220 131839 99681 163205 1552739 195794 197842 114508 1277620 143993 143249 141540 2593458 121940 3897508 4052946 162801 2078525 3349530 266670 88229 151908 1786472 3903906 3767626 131980 7665783 7195418 6109120 781540 5029485 8705189 5224597 2712302 5784996 3537349 5315536 2948969 5643931 5617746 1024665 8235834 7924319 6788476 138360 5573032 1084369 6555630 6172254 160277 6143210 5931670 139255 5072050 5201922 2217912 5677684 482114 101075 918137 33400354 9398235 3104719 20964758 43513088 19431124 3580619 30812988 95221 2873534 100474 881446 12212982 10782971 18710740 8240170 10192548 7073360 11866682 12840542 3480076 18066930 6304368 7250418 564764 7190924 7507847 7100668 95931 626016 105995 99307 6934360 18011858 104363 21520736 3570038 10618874 6570400 5805278 5606170 12520305 11859736 12069158 182346 147891 154017 14793527 13829226 13665066 14459547 14673068 13629444 5847693 1961596 5712267 9214432 9026893 8725232 14125817 12532494 13530161 18993308 13191062 13240036 3011600 2972246 3094078 4323360 4251812 4585398 14060036 13944198 14111457 6514334 9476788 9026456 15927211 15541740 15348669 13764579 12258304 13548767 14368970 13479587 13912789 13449708 13492595 14146476 Quinoline-2,8-diol 6356 201970 5642 171419 0 0 119406 8866 0 0 5356 0 6130 27781 0 8278 8884 30088 7467 10353 16370 5987 4287 6160 5483 17382 26646 25020 4334 215061 21488 0 0 222267 5635 179504 5344 21823 7176 33930 219378 0 4176 9056 23346 29832 181512 14650 173705 0 172776 191895 28722 0 0 5758 7279 189686 165256 4510 16376 0 0 17688 33768 6610 24167 22960 200932 14905 26999 296952 0 0 4597 13909 28586 197368 10858 14854 7190 194620 4040 36334 5394 176856 6878 182850 5283 172765 15675 17351 169992 5824 40085 3661 271139 7822 183589 13892 10823 245793 4618 21002 246905 56428 28037 30230 49429 31543 34011 26458 33487 112774 49490 41968 29178 46354 89127 25545 39660 39307 56630 33956 53799 35054 26652 27769 109733 56633 50544 57351 44231 38996 33596 77278 37728 42825 81259 39219 39162 42434 17422 45575 75745 33508 29529 23943 38458 50436 34138 80519 33280 30777 33720 34431 322272 338717 343656 35409 43898 13907 33086 27720 30063 16278 9469 18730 49001 21354 5540 48604 32185 22916 25730 16924 45048 25862 66048 5588938 25799 28210 44950 7912 24769 23265 33112 19946 45880 32237 18675 19289 79003 41899 99612 40242 62899 46434 79254 21773 26874 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name INCHIKEY Average Rt(min) Average Mz 1_1-Methylnicotinamide-d3 Internal Standard 6.177 140.08925 1_Acetylcarnitine_d3 Internal Standard 7.139 207.14114 1_Alanine_d3 Internal Standard 8.106 93.07365 1_Arginine_d7 Internal Standard 9.474 182.16252 1_Aspartic acid_d3 Internal Standard 9.194 137.06358 1_Carnitine_d3 Internal Standard 7.786 165.13072 1_Choline_d9 Internal Standard 5.08 113.16326 1_Creatine_d3 Internal Standard 8.093 135.0956 1_Creatinine_d3 Internal Standard 4.886 117.08466 1_CUDA iSTD Internal Standard 1.113 341.27917 1_Glutamic Acid_d3 Internal Standard 8.773 151.07892 1_Glutamine_d5 Internal Standard 8.602 152.10739 1_HippuricAcid_d5 Internal Standard 2.998 185.09172 1_Lysine-d8 Internal Standard 9.554 155.16263 1_Methionine_d8 Internal Standard 7.451 158.10815 1_Phenylalanine-d8 Internal Standard 6.905 174.13593 1_Serine_d3 Internal Standard 8.671 109.06854 1_TMAO_d9 Internal Standard 5.455 85.132 1_Tryptophan-d5 Internal Standard 6.874 210.12804 3'-O-Methylinosine ABXDBVMGRKZFRC-VTFQDDHLSA-N 4.325 283.10361 Met-Glu ADHNYKZHPOEULM-BQBZGAKWSA-N 8.194 279.10107 .beta.-Homoproline ADSALMJPJUKESW-RXMQYKEDSA-N 4.363 130.08629 Pro-Ser AFWBWPCXSWUCLB-WDSKDSINSA-N 8.607 203.10275 Isoleucine AGPKZVBTJJNPAG-UHFFFAOYSA-N 7.21 132.1015 Ornithine AHLPHDHHMVZTML-UHFFFAOYSA-N 9.605 133.09677 Norharmane AIFRHYZBTHREPW-UHFFFAOYSA-N 2.097 169.07561 Lys-Pro AIXUQKMMBQJZCU-IUCAKERBSA-N 9.523 244.16565 Ala-Tyr ALZVPLKYDKJKQU-OIBJUYFYSA-N 7.872 253.11858 Tryptamine APJYDQYYACXCRM-UHFFFAOYSA-N 5.012 161.10713 N-[2-(4-hydroxyphenyl)ethyl]acetamide ATDWJOOPFDQZNK-UHFFFAOYSA-N 1.146 180.10185 Lys-Leu ATIPDCIQTUXABX-UWVGGRQHSA-N 8.817 260.19662 Riboflavin AUNGANRZJHBGPY-SCRDCRAPSA-N 6.14 377.14557 Desthiobiotin AUTOLBMXDDTRRT-JGVFFNPUSA-N 2.175 215.13919 Pro-Val AWJGUZSYVIVZGP-YUMQZZPRSA-N 7.674 215.13887 L-Threonine AYFVYJQAPQTCCC-UHFFFAOYSA-N 8.29 120.06519 His-Met AYIZHKDZYOSOGY-IUCAKERBSA-N 8.536 287.11688 Cyclocytidine BBDAGFIXKZCXAH-CCXZUQQUSA-N 6.315 226.08224 3-Methyloxyindole BBZCPUCZKLTAJQ-UHFFFAOYSA-N 1.11 148.0869 Gly-Ser BCCRXDTUTZHDEU-VKHMYHEASA-N 9.313 163.07149 Ile-Ile BCVIOZZGJNOEQS-XKNYDFJKSA-N 6.112 245.18536 Ile-Val BCXBIONYYJCSDF-CIUDSAMLSA-N 6.808 231.16991 Thr-Glu BECPPKYKPSRKCP-XAHCXIQSSA-N 9.029 249.1084 N,N-Diethyl-2-aminoethanol BFSVOASYOCHEOV-UHFFFAOYSA-N 4.78 118.12261 2-Phenylethylamine BHHGXPLMPWCGHP-UHFFFAOYSA-N 4.753 122.09605 Thr-Gly BIYXEUAFGLTAEM-WUJLRWPWSA-N 8.818 177.08708 Met-Val BJFJQOMZCSHBMY-YUMQZZPRSA-N 7.012 249.12689 4-Methyl-5-thiazoleethanol BKAWJIRCKVUVED-UHFFFAOYSA-N 1.17 144.0475 Thr-Val-Leu BKVICMPZWRNWOC-UHFFFAOYSA-N 7.054 332.21802 Arg-His BNODVYXZAAXSHW-IUCAKERBSA-N 10.087 312.17804 Val-His BNQVUHQWZGTIBX-IUCAKERBSA-N 9.158 255.14523 L-Cysteine-glutathione disulfide BNRXZEPOHPEEAS-UHFFFAOYSA-N 10.117 427.09528 Thr-Leu BQBCIBCLXBKYHW-CSMHCCOUSA-N 7.678 233.14961 1-Methyl-L-histidine BRMWTNUJHUMWMS-UHFFFAOYSA-N 8.934 170.09213 Asp-Ile BSWHERGFUNMWGS-HAFWLYHUSA-N 8.174 247.129 .gamma.-Aminobutyric acid BTCSSZJGUNDROE-UHFFFAOYSA-N 7.793 104.07047 Ala-Thr BUQICHWNXBIBOG-LMVFSUKVSA-N 8.682 191.10213 Dimethylaminopurine BVIAOQMSVZHOJM-UHFFFAOYSA-N 1.852 164.09286 Ile-Trp BVRPESWOSNFUCJ-NZVBXONLSA-N 6.28 318.18088 Thr-Gln BWUHENPAEMNGQJ-XAHCXIQSSA-N 9.189 248.12387 Ala-Ala-Ala BYXHQQCXAJARLQ-ZLUOBGJFSA-N 8.319 232.12933 Phosphoserine BZQFBWGGLXLEPQ-UHFFFAOYSA-N 9.878 186.01613 N-Acetylphenylalanine CBQJSKKFNMDLON-UHFFFAOYSA-N 2.514 208.0968 N-Methyl-L-threonine CCAIIPMIAFGKSI-DMTCNVIQSA-N 7.853 134.08102 Ala-Asn CCUAQNUWXLYFRA-IMJSIDKUSA-N 9.223 204.09807 Tyr-Phe CGWAPUBOXJWXMS-HOTGVXAUSA-N 6.707 329.14978 1-Methylguanidine CHJJGSNFBQVOTG-UHFFFAOYSA-N 5.687 74.07114 Asp-Glu CKAJHWFHHFSCDT-WHFBIAKZSA-N 9.516 263.08685 Thr-Val CKHWEVXPLJBEOZ-VQVTYTSYSA-N 7.799 219.13423 L-Aspartic acid CKLJMWTZIZZHCS-UHFFFAOYSA-N 9.216 134.04445 Stachydrine CMUNUTVVOOHQPW-UHFFFAOYSA-N 7.065 144.1019 Ile-Gln CNPNWGHRMBQHBZ-ZKWXMUAHSA-N 8.105 260.15994 Triethylene glycol monobutyl ether COBPKKZHLDDMTB-UHFFFAOYSA-N 1.074 207.16064 DL-Phenylalanine COLNVLDHVKWLRT-UHFFFAOYSA-N 6.892 166.08569 Asp-Val CPMKYMGGYUFOHS-FSPLSTOPSA-N 8.498 233.1134 Carnosine CQOVPNPJLQNMDC-ZETCQYMHSA-N 9.584 227.11389 His-Gln CTCFZNBRZBNKAX-YUMQZZPRSA-N 9.665 284.13535 Creatine CVSVTCORWBXHQV-UHFFFAOYSA-N 8.075 154.05869 N-Methyl-L-proline CWLQUGTUXBXTLF-UHFFFAOYSA-N 7.238 130.0863 His-Lys CZVQSYNVUHAILZ-UWVGGRQHSA-N 10.074 284.17188 tryptophan ethyl ester DABYEOZXRSTEGL-NSHDSACASA-N 3.266 233.12849 Arg-Val DAQIJMOLTMGJLO-YUMQZZPRSA-N 9.13 274.1868 D-Asparagine DCXYFEDJOCDNAF-REOHCLBHSA-N 8.725 133.06038 Creatinine DDRJAANPRJIHGJ-UHFFFAOYSA-N 4.871 114.06583 Ala-Ala DEFJQIDDEAULHB-IMJSIDKUSA-N 8.339 161.09193 Niacinamide DFPAKSUCGFBDDF-UHFFFAOYSA-N 1.734 123.05489 3-Methoxytyramine DIVQKHQLANKJQO-UHFFFAOYSA-N 5.425 168.10167 Uridine 5'-monophosphate DJJCXFVJDGTHFX-XVFCMESISA-N 9.149 325.04279 Gly-Leu DKEXFJVMVGETOO-LURJTMIESA-N 7.797 189.12344 Coniferyl aldehyde DKZBBWMURDFHNE-NSCUHMNNSA-N 1.327 179.08121 Thr-Thr DSGIVWSDDRDJIO-ZXXMMSQZSA-N 8.822 221.11285 N-epsilon-Acetyllysine DTERQYGMUDWYAZ-ZETCQYMHSA-N 8.079 189.12312 Phenylacetaldehyde DTUQWGWMVIHBKE-UHFFFAOYSA-N 5.411 121.0647 4-Morpholinopropanesulfonic acid DVLFYONBTKHTER-UHFFFAOYSA-N 6.8 210.07899 Asp-Ser DWBZEJHQQIURML-IMJSIDKUSA-N 9.702 221.07681 Glycitein DXYUAIFZCFRPTH-UHFFFAOYSA-N 1.128 285.07568 Tyramine DZGWFCGJZKJUFP-UHFFFAOYSA-N 5.614 138.09097 Met-Pro DZMGFGQBRYWJOR-YUMQZZPRSA-N 7.425 247.11134 N-Acetyltryptophan DZTHIGRZJZPRDV-GFCCVEGCSA-N 2.758 247.10739 Phe-Lys FADYJNXDPBKVCA-STQMWFEESA-N 8.862 294.181 Gln-Ala FAQVCWVVIYYWRR-WHFBIAKZSA-N 8.739 218.11372 Hypoxanthine FDGQSTZJBFJUBT-UHFFFAOYSA-N 4.944 137.04543 Pro-Ala FELJDCNGZFDUNR-WDSKDSINSA-N 7.903 187.1077 Methionine FFEARJCKVFRZRR-BYPYZUCNSA-N 7.437 150.05791 1-Methylhistamine FHQDWPCFSJMNCT-UHFFFAOYSA-N 7.315 126.10236 2,3,5,6-Tetramethylpyrazine FINHMKGKINIASC-UHFFFAOYSA-N 3.531 137.10706 N8-Acetylspermidine FONIWJIDLJEJTL-UHFFFAOYSA-N 8.856 188.17552 2'-O-Methyladenosine FPUGCISOLXNPPC-IOSLPCCCSA-N 2.696 282.11942 L-Hydroxyarginine FQWRAVYMZULPNK-BYPYZUCNSA-N 9.66 191.1138 His-Ala FRJIAZKQGSCKPQ-FSPLSTOPSA-N 9.349 227.11394 Galactosamine FZHXIRIBWMQPQF-KCDKBNATSA-N 8.377 180.08658 7-Methylguanine FZWGECJQACGGTI-UHFFFAOYSA-N 5.426 166.0721 S-Carboxymethyl-L-cysteine GBFLZEXEOZUWRN-VKHMYHEASA-N 8.991 180.03249 Adenine GFFGJBXGBJISGV-UHFFFAOYSA-N 4.643 136.06151 1-Methyladenosine GFYLSDSUCHVORB-IOSLPCCCSA-N 7.565 282.1196 Gly-Pro-Ala GGLIDLCEPDHEJO-UHFFFAOYSA-N 8.271 244.12946 Pantothenic acid GHOKWGTUZJEAQD-UHFFFAOYSA-N 3.428 220.11743 Val-Pro GIAZPLMMQOERPN-YUMQZZPRSA-N 7.546 215.13879 Val-Phe GJNDXQBALKCYSZ-NWDGAFQWSA-N 6.688 265.1539 Phe-Phe GKZIWHRNKRBEOH-HOTGVXAUSA-N 5.807 313.15451 Pro-Asp GLEOIKLQBZNKJZ-WDSKDSINSA-N 8.568 231.09711 Phe-Gly GLUBLISJVJFHQS-VIFPVBQESA-N 7.571 223.10777 2,6-Diaminopimelic acid GMKMEZVLHJARHF-UHFFFAOYSA-N 9.931 191.11592 3-Indolepropionic acid GOLXRNDWAUTYKT-UHFFFAOYSA-N 1.127 190.086 3-Hydroxypyridine GRFNBEZIAWKNCO-UHFFFAOYSA-N 1.468 96.0442 2,2',2''-Nitrilotriethanol GSEJCLTVZPLZKY-UHFFFAOYSA-N 6.561 150.11227 7-Keto-8-aminopelargonic acid GUAHPAJOXVYFON-ZETCQYMHSA-N 6.046 188.12817 Pro-Thr GVUVRRPYYDHHGK-VQVTYTSYSA-N 8.244 217.11807 7-Methyladenine HCGHYQLFMPXSDU-UHFFFAOYSA-N 3.263 150.07722 Trehalose HDTRYLNUVZCQOY-LIZSDCNHSA-N 8.987 360.14926 Arg-Glu HFKJBCPRWWGPEY-NKWVEPMBSA-N 9.78 304.16101 Met-Phe HGCNKOLVKRAVHD-RYUDHWBXSA-N 6.423 297.12671 Gln-Thr HHSJMSCOLJVTCX-ZDLURKLDSA-N 9.035 248.1243 Ala-Gln HJCMDXDYPOUFDY-WHFBIAKZSA-N 9.06 218.11337 Glu-His HKTRDWYCAUTRRL-YUMQZZPRSA-N 9.786 285.1196 Histidine HNDVDQJCIGZPNO-YFKPBYRVSA-N 9.378 156.07661 Pterine HNXQXTQTPAJEJL-UHFFFAOYSA-N 5.277 164.05672 Tyr-Gly HPYDSVWYXXKHRD-VIFPVBQESA-N 8.044 239.10265 Asp-His HSPSXROIMXIJQW-BQBZGAKWSA-N 9.854 271.10388 His-Tyr HTOOKGDPMXSJSY-STQMWFEESA-N 8.735 319.13983 Phe-Asp HWMGTNOVUDIKRE-UWVGGRQHSA-N 7.828 281.11328 Pipecolic acid HXEACLLIILLPRG-RXMQYKEDSA-N 7.551 130.08623 Glucose-1-phosphate HXXFSFRBOHSIMQ-VFUOTHLCSA-N 9.651 261.03708 Leu-Gly-Leu HYIFFZAQXPUEAU-UHFFFAOYSA-N 6.674 302.2063 Isopentenyladenine HYVABZIGRDEKCD-UHFFFAOYSA-N 1.734 204.12442 Ile-Arg HYXQKVOADYPQEA-CIUDSAMLSA-N 8.928 288.20267 Ethanolamine HZAXFHJVJLSVMW-UHFFFAOYSA-N 7.272 62.06015 Ile-Asn HZYHBDVRCBDJJV-HAFWLYHUSA-N 8.242 246.14441 Dimethyl sulfoxide IAZDPXIOMUYVGZ-UHFFFAOYSA-N 1.603 79.02122 Val-Arg IBIDRSSEHFLGSD-YUMQZZPRSA-N 9.253 274.18689 His-Ile IDXZDKMBEXLFMB-HGNGGELXSA-N 8.268 269.16037 Gly-Glu IEFJWDNGDZAYNZ-BYPYZUCNSA-N 9.128 205.08212 Phe-Val IEHDJWSAXBGJIP-RYUDHWBXSA-N 6.135 265.15417 Cytidine 5'-monophosphate IERHLVCPSMICTF-XVFCMESISA-N 9.308 324.05844 Asn-Glu IIFDPDVJAHQFSR-WHFBIAKZSA-N 9.321 262.1037 Gly-Lys IKAIKUBBJHFNBZ-LURJTMIESA-N 9.8 204.13435 Cystathionine ILRYLPWNYFXEMH-UHFFFAOYSA-N 9.876 223.07434 Ser-Val ILVGMCVCQBJPSH-WDSKDSINSA-N 8.123 205.11794 Val-Gly IOUPEELXVYPCPG-LURJTMIESA-N 8.247 175.10736 Thr-Asp IOWJRKAVLALBQB-IWGUZYHVSA-N 9.126 235.0927 Thr-Phe IQHUITKNHOKGFC-DVVUODLYSA-N 7.49 267.13397 Uracil ISAKRJDGNUQOIC-UHFFFAOYSA-N 2.439 113.03443 Adenosine 3',5'-cyclic monophosphate IVOMOUWHDPKRLL-KQYNXXCUSA-N 7.572 330.05923 Pro-Phe IWIANZLCJVYEFX-RYUDHWBXSA-N 7.008 263.13904 Tyr-Tyr JAQGKXUEKGKTKX-HOTGVXAUSA-N 7.457 345.1441 Gly-Phe JBCLFWXMTIKCCB-VIFPVBQESA-N 7.649 223.10713 .epsilon.-Caprolactam JBKVHLHDHHXQEQ-UHFFFAOYSA-N 1.293 114.09132 OPHTHALMIC ACID JCMUOFQHZLPHQP-BQBZGAKWSA-N 8.978 290.13403 3-Methyl-L-histidine JDHILDINMRGULE-UHFFFAOYSA-N 9.399 170.09248 Melamine JDSHMPZPIAZGSV-UHFFFAOYSA-N 5.557 127.07263 Gln-Gly JEFZIKRIDLHOIF-BYPYZUCNSA-N 9.086 204.09822 (3-Carboxypropyl)trimethylammonium cation JHPNVNIEXXLNTR-UHFFFAOYSA-O 7.747 146.11746 3-Methylbenzyl alcohol JJCKHVUTVOPLBV-UHFFFAOYSA-N 7.489 105.06975 Val-Lys JKHXYJKMNSSFFL-IUCAKERBSA-N 9.332 246.18124 Nicotinamide riboside cation JLEBZPBDRKPWTD-TURQNECASA-O 7.458 255.09744 Pentaethylene glycol JLFNLZLINWHATN-UHFFFAOYSA-N 1.722 239.14903 Gly-Arg JLXVRFDTDUGQEE-YFKPBYRVSA-N 9.768 232.14058 Phe-Trp JMCOUWKXLXDERB-WMZOPIPTSA-N 5.874 352.16541 Ile-Pro-Ile JNTMAZFVYNDPLB-UHFFFAOYSA-N 6.118 342.23825 P-Toluenesulfonic acid JOXIMZWYDAKGHI-UHFFFAOYSA-N 8.962 173.02094 Arg-Lys JQFZHHSQMKZLRU-IUCAKERBSA-N 10.153 303.21338 Pro-Asn JQOHKCDMINQZRV-WDSKDSINSA-N 8.853 230.11356 N-alpha-Acetyl-L-ornithine JRLGPAXAGHMNOL-LURJTMIESA-N 8.395 175.10771 Glu-Thr JSIQVRIXMINMTA-ZDLURKLDSA-N 9.135 249.10767 3-Ureidopropionic acid JSJWCHRYRHKBBW-UHFFFAOYSA-N 5.522 133.06076 pyridine JUJWROOIHBZHMG-UHFFFAOYSA-N 6.563 80.04943 DL-.alpha.-Aminopimelic acid JUQLUIFNNFIIKC-UHFFFAOYSA-N 8.092 176.09149 2-Aminobenzimidazole JWYUFVNJZUSCSM-UHFFFAOYSA-N 5.373 134.07111 Phe-Glu JXWLMUIXUXLIJR-QWRGUYRKSA-N 7.872 295.12912 Leu-Gln JYOAXOMPIXKMKK-YUMQZZPRSA-N 8.008 260.16013 Gly-Pro-Arg JYPCXBJRLBHWME-UHFFFAOYSA-N 9.513 329.1933 Glu-Ala JZDHUJAFXGNDSB-WHFBIAKZSA-N 8.814 219.09767 Thiamine cation JZRWCGZRTZMZEH-UHFFFAOYSA-N 6.834 265.11157 N-Acetylhistidine KBOJOGQFRVVWBH-ZETCQYMHSA-N 8.121 198.08716 Purine KDCGOANMDULRCW-UHFFFAOYSA-N 2.417 121.0507 Lysine KDXKERNSBIXSRK-YFKPBYRVSA-N 9.555 147.11221 Argininosuccinic acid KDZOASGQNOPSCU-WDSKDSINSA-N 9.934 291.1301 Leu-Phe KFKWRHQBZQICHA-STQMWFEESA-N 6.252 279.16998 Putrescine KIDHWZJUCRJVML-UHFFFAOYSA-N 9.248 89.10725 4-Deoxypyridoxine KKOWAYISKWGDBG-UHFFFAOYSA-N 4.045 154.08627 3-Methylthiopropylamine KKYSBGWCYXYOHA-UHFFFAOYSA-N 5.116 106.06849 Phe-Gln KLAONOISLHWJEE-QWRGUYRKSA-N 7.935 294.14511 Isobutyric acid KQNPFQTWMSNSAP-UHFFFAOYSA-N 1.672 89.07082 His-Ser KRBMQYPTDYSENE-BQBZGAKWSA-N 9.684 243.10838 Val-Val KRNYOVHEKOBTEF-YUMQZZPRSA-N 7.392 217.15419 Ile-Glu KTGFOCFYOZQVRJ-ZKWXMUAHSA-N 8.015 261.14392 Asn-Val KWBQPGIYEZKDEG-FSPLSTOPSA-N 8.142 232.12875 Betaine KWIUHFFTVRNATP-UHFFFAOYSA-N 7.176 118.08582 Valine KZSNJWFQEVHDMF-UHFFFAOYSA-N 7.796 118.08606 Ser-Glu LAFKUZYWNCHOHT-CRCLSJGQSA-N 9.297 235.09261 Ser-Thr LDEBVRIURYMKQS-WISUUJSJSA-N 9.149 207.0977 Cystine LEVWYRKDKASIDU-IMJSIDKUSA-N 9.91 241.03116 Leu-Tyr LHSGPCFBGJHPCY-STQMWFEESA-N 7.037 295.16522 5,6-Dimethylbenzimidazole LJUQGASMPRMWIW-UHFFFAOYSA-N 1.606 147.09163 5-Hydroxyindole LMIQERWZRIFWNZ-UHFFFAOYSA-N 1.117 134.0601 His-Pro LNCFUHAPNTYMJB-IUCAKERBSA-N 9.191 253.12917 Adenosine 3'-monophosphate LNQVTSROQXJCDD-KQYNXXCUSA-N 9.022 348.07016 Urocanic acid LOIYMIARKYCTBW-OWOJBTEDSA-N 3.572 139.05002 Gln-Gln LOJYQMFIIJVETK-NTSWFWBYSA-N 9.349 275.13519 Arg-Pro LQJAALCCPOTJGB-YUMQZZPRSA-N 9.376 272.17194 Xanthine LRFVTYWOQMYALW-UHFFFAOYSA-N 5.654 153.04056 5-Methylcytosine LRSASMSXMSNRBT-UHFFFAOYSA-N 5.64 126.06594 2-Phenylacetamide LSBDFXRDZJMBSC-UHFFFAOYSA-N 1.087 136.08693 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]- LSGOTAXPWMCUCK-UHFFFAOYSA-N 1.663 261.12289 Pyridoxine LXNHXLLTXMVWPM-UHFFFAOYSA-N 3.77 170.08122 His-Gly LYCVKHSJGDMDLM-LURJTMIESA-N 9.542 213.0984 Trp-Leu LYMVXFSTACVOLP-ZFWWWQNUSA-N 6.077 318.18143 Val-Trp LZDNBBYBDGBADK-UONOGXRCSA-N 6.682 304.16501 2-Hydroxy-2-methylbutyric acid MBIQENSCDNJOIY-UHFFFAOYSA-N 7.784 101.05965 DL-Leu-Val MDSUKZSLOATHMH-UHFFFAOYSA-N 6.703 231.1703 S-Adenosyl-methionine MEFKEPWMEQBLKI-AIRLBKTGSA-N 9.728 399.14517 Glu-Gln MGHKSHCBDXNTHX-WDSKDSINSA-N 9.388 276.11884 Phe-Ala MIDZLCFIAINOQN-WPRPVWTQSA-N 7.296 237.12338 Leu-Asn MLTRLIITQPXHBJ-BQBZGAKWSA-N 8.121 246.14436 His-Leu MMFKFJORZBJVNF-UWVGGRQHSA-N 8.147 269.16086 N-(2-phenylethyl)acetamide MODKMHXGCGKTLE-UHFFFAOYSA-N 1.089 164.10687 Gln-Val MRVYVEQPNDSWLH-XPUUQOCRSA-N 7.893 246.14485 Glucosamine MSWZFWKMSRAUBD-IVMDWMLBSA-N 9.117 180.08629 Serine MTCFGRXMJLQNBG-UHFFFAOYSA-N 8.671 106.04958 Pro-Met MTWJTFBVRDGROD-YUMQZZPRSA-N 7.558 247.1113 Ile-Tyr MUFXDFWAJSPHIQ-TVYUQYBPSA-N 7.12 295.16516 3-Pyridinemethanol MVQVNTPHUGQQHK-UHFFFAOYSA-N 1.69 110.05975 4,6-Diamino-5-formamidopyrimidine MVYUVUOSXNYQLL-UHFFFAOYSA-N 5.276 154.0721 Met-His MWAYJIAKVUBKKP-IUCAKERBSA-N 8.996 287.11728 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE MXNRLFUSFKVQSK-UHFFFAOYSA-N 9.233 189.15945 Lys-Tyr MYTOTTSMVMWVJN-STQMWFEESA-N 9.287 310.17606 L-Anserine MYYIAHXIVFADCU-QMMMGPOBSA-N 9.521 241.12881 5-Methyl-5,6-Dihydrouracil NBAKTGXDIBVZOO-UHFFFAOYSA-N 1.597 129.0658 D-Glucose 6-phosphate NBSCHQHZLSJFNQ-DVKNGEFBSA-N 10.076 261.03729 2-Methylquinolin-8-ol NBYLBWHHTUWMER-UHFFFAOYSA-N 1.217 160.07567 2'-Deoxycytidine 5'-monophosphate NCMVOABPESMRCP-SHYZEUOFSA-N 9.301 308.06421 Leu-Glu NFNVDJGXRFEYTK-YUMQZZPRSA-N 7.937 261.14398 Diprotin B NHXZRXLFOBFMDM-UHFFFAOYSA-N 6.569 328.22244 Pyridoxamine NHZMQXZHNVQTQA-UHFFFAOYSA-N 7.986 169.09692 Cytidine 2',3'-cyclic monophosphoric acid NMPZCCZXCOMSDQ-PDVZPSIWSA-N 8.284 306.04797 Asn-Arg NPDLYUOYAGBHFB-WDSKDSINSA-N 9.835 289.16165 N1,N12-Diacetylspermine NPDTUDWGJMBVEP-UHFFFAOYSA-N 8.478 287.24435 Histamine NTYJJOPFIAHURM-UHFFFAOYSA-N 8.253 112.08687 Lys-Lys NVGBPTNZLWRQSY-UWVGGRQHSA-N 10.16 275.20789 N,N-Dimethylarginine NWGZOALPWZDXNG-UHFFFAOYSA-N 8.949 203.1501 Guanosine NYHBQMYGNKIUIF-UUOKFMHZSA-N 7.224 284.09863 Methacholine cation NZWOPGCLSHLLPA-UHFFFAOYSA-N 6.494 160.13315 Lys-Gln OAPNERBWQWUPTI-YUMQZZPRSA-N 9.833 275.17172 Val-Asp OBTCMSPFOITUIJ-FSPLSTOPSA-N 8.334 233.11269 L-Pyroglutamic acid ODHCTXKNWHHXJC-UHFFFAOYSA-N 7.864 259.09207 Arginine ODKSFYDXXFIFQN-BYPYZUCNSA-N 9.475 175.11877 Choline cation OEYIOHPDSNJKLS-UHFFFAOYSA-N 5.094 104.10682 Phe-His OHUXOEXBXPZKPT-STQMWFEESA-N 8.595 303.14539 Acetylcholine cation OIPILFWXSMYKGL-UHFFFAOYSA-N 3.072 146.11739 Adenosine OIRDTQYFTABQOQ-KQYNXXCUSA-N 4.96 268.1033 5,6-Dihydrouracil OIVLITBTBDPEFK-UHFFFAOYSA-N 1.78 115.04996 Gly-Thr OLIFSFOFKGKIRH-WUJLRWPWSA-N 8.978 177.08656 Indole-3-carboxaldehyde OLNJUISKUQQNIM-UHFFFAOYSA-N 1.083 146.06003 2'-Deoxyadenosine OLXZPDWKRNYJJZ-RRKCRQDMSA-N 3.987 252.10898 Ala-Phe OMNVYXHOSHNURL-WCBMZHEXSA-N 7.484 237.12334 Proline ONIBWKKTOPOVIA-UHFFFAOYSA-N 7.799 116.07056 Proline-hydroxyproline ONPXCLZMBSJLSP-CSMHCCOUSA-N 8.615 229.11836 Gln-Arg OPINTGHFESTVAX-BQBZGAKWSA-N 9.628 303.17715 Cytosine OPTASPLRGRRNAP-UHFFFAOYSA-N 5.843 112.05044 Leu-Lys OTXBNHIUIHNGAO-UWVGGRQHSA-N 8.918 260.19702 Tyrosine OUYCCCASQSFEME-UHFFFAOYSA-N 7.686 182.08096 Gln-Glu OWOFCNWTMWOOJJ-NTSWFWBYSA-N 9.246 276.11862 Tyr-Val OYOQKMOWUDVWCR-RYUDHWBXSA-N 7.3 281.14969 Phe-Arg OZILORBBPKKGRI-RYUDHWBXSA-N 8.667 322.18716 Met-Leu PBOUVYGPDSARIS-IUCAKERBSA-N 6.387 263.14249 Ser-Met PBUXMVYWOSKHMF-WDSKDSINSA-N 8.099 237.09041 Gly-Met PFMUCCYYAAFKTH-YFKPBYRVSA-N 7.925 207.07993 Spermine PFNFFQXMRSDOHW-UHFFFAOYSA-N 6.951 203.22275 Arg-Gln PMGDADKJMCOXHX-NKWVEPMBSA-N 9.834 303.17734 trans-4-Hydroxy-L-proline PMMYEEVYMWASQN-DMTCNVIQSA-N 8.079 132.07649 4-Hydroxyquinoline PMZDQRJGMBOQBF-UHFFFAOYSA-N 1.795 146.05974 3,4-Dimethylbenzaldehyde POQJHLBMLVTHAU-UHFFFAOYSA-N 2.136 135.0802 N.epsilon.-Methyl-L-lysine PQNASZJZHFPQLE-UHFFFAOYSA-N 9.317 161.12825 4-Imidazoleacetic acid PRJKNHOMHKJCEJ-UHFFFAOYSA-N 7.92 127.05006 Asp-Arg PSZNHSNIGMJYOZ-WDSKDSINSA-N 9.853 290.14621 Nicotinic acid PVNIIMVLHYAWGP-UHFFFAOYSA-N 3.903 124.03893 Arg-Trp QADCERNTBWTXFV-JSGCOSHPSA-N 8.679 361.19754 Asn-Gln QCWJKJLNCFEVPQ-WHFBIAKZSA-N 9.448 261.11893 Lys-Phe QCZYYEFXOBKCNQ-STQMWFEESA-N 8.746 294.18097 Methioninesulfoxide QEFRNWWLZKMPFJ-YGVKFDHGSA-N 8.544 166.05278 Tryptophan QIVBCDIJIAJPQS-UHFFFAOYSA-N 6.869 205.0966 Tyr-Ile QJKMCQRFHJRIPU-XDTLVQLUSA-N 6.78 295.16534 Asn-Lys QJMCHPGWFZZRID-BQBZGAKWSA-N 9.87 261.15561 Pro-Glu QLROSWPKSBORFJ-BQBZGAKWSA-N 8.482 245.11346 PyroGlu-Trp QMMASWWWQRGQQC-UHFFFAOYSA-N 5.97 316.12872 Alanine QNAYBMKLOCPYGJ-REOHCLBHSA-N 8.103 90.0549 Ile-His QNBYCZTZNOVDMI-HGNGGELXSA-N 8.81 269.16104 Lys-Ala QOOWRKBDDXQRHC-BQBZGAKWSA-N 9.521 218.14998 Homoarginine QUOGESRFPZDMMT-YFKPBYRVSA-N 9.37 189.12337 (R)-Butyrylcarnitine QWYFHHGCZUCMBN-SECBINFHSA-N 5.705 232.15448 Ala-Lys QXRNAOYBCYVZCD-BQBZGAKWSA-N 9.66 218.14984 (4-Aminobutyl)guanidine QYPPJABKJHAVHS-UHFFFAOYSA-N 8.89 131.12903 Pyridoxal RADKZDMFGJYCBB-UHFFFAOYSA-N 2.185 168.06549 Acetyl-carnitine RDHQFKQIGNGIED-UHFFFAOYSA-N 7.135 204.12321 Ala-Leu RDIKFPRVLJLMER-BQBZGAKWSA-N 7.465 203.13885 Phe-Leu RFCVXVPWSPOMFJ-STQMWFEESA-N 5.686 279.17035 Citrulline RHGKLRLOHDJJDR-BYPYZUCNSA-N 8.828 176.10257 5'-O-Acetyladenosine RMIAANGDAQJRIT-PPSWKLDYSA-N 2.774 310.11447 Leucine ROHFNLRQFUQHCH-UHFFFAOYSA-N 7.02 132.10144 Arg-Met ROWCTNFEMKOIFQ-YUMQZZPRSA-N 9.073 306.15952 Guanosine 5'-monophosphate RQFCJASXJCIDSX-UUOKFMHZSA-N 9.401 364.06458 gamma-Glutamylmethionine RQNSKRXMANOPQY-BQBZGAKWSA-N 8.482 279.10086 N,N-Dimethylguanosine RSPURTUNRHNVGF-IOSLPCCCSA-N 5.599 312.1301 Lys-Trp RVKIPWVMZANZLI-ZFWWWQNUSA-N 8.75 333.19156 Pro-Lys RVQDZELMXZRSSI-IUCAKERBSA-N 9.446 244.16559 Pro-Pro RWCOTTLHDJWHRS-YUMQZZPRSA-N 7.898 213.1234 Thymine RWQNBRDOKXIBIV-UHFFFAOYSA-N 2.146 127.05025 Glutathione (reduced) RWSXRVCMGQZWBV-UHFFFAOYSA-N 9.059 308.09134 Ser-Arg RZEQTVHJZCIUBT-WDSKDSINSA-N 9.838 262.15134 3'-O-Methylcytidine RZJCFLSPBDUNDH-ZOQUXTDFSA-N 5.213 258.10828 Cytidine 5'-diphosphocholine RZZPDXZPRHQOCG-OJAKKHQRSA-N 9.869 489.1152 L-Tyrosine, ethyl ester SBBWEQLNKVHYCX-JTQLQIEISA-N 3.809 210.11255 Ser-Lys SBMNPABNWKXNBJ-BQBZGAKWSA-N 9.863 234.14499 Leu-Arg SENJXOPIZNYLHU-IUCAKERBSA-N 8.785 288.20285 Pro-Gln SHAQGFGGJSLLHE-BQBZGAKWSA-N 8.67 244.12885 Asn-Ala SJUXYGVRSGTPMC-IMJSIDKUSA-N 8.869 204.09744 N2-Methylguanosine SLEHROROQDYRAW-KQYNXXCUSA-N 6.535 298.11432 N-Acetylneuraminic acid SQVRNKJHWKZAKO-LUWBGTNYSA-N 9.333 310.11292 Gly-Val STKYPAFSDFAEPH-LURJTMIESA-N 7.956 175.1073 Val-Ser STTYIMSDIYISRG-WDSKDSINSA-N 8.342 205.11841 Glycerophosphocholine SUHOQUVVVLNYQR-MRVPVSSYSA-N 8.602 258.10928 N,N-Dimethyldodecylamine N-oxide SYELZBGXAIXKHU-UHFFFAOYSA-N 2.051 230.24802 Cyclo(Leu-Pro) SZJNCZMRZAUNQT-IUCAKERBSA-N 1.123 211.14398 4-Guanidinobutyric acid TUHVEAJXIMEOSA-UHFFFAOYSA-N 7.628 146.09206 Glu-Asn TUTIHHSZKFBMHM-WHFBIAKZSA-N 9.52 262.10352 Ile-Met TUYOFUHICRWDGA-CIUDSAMLSA-N 6.81 263.13904 Ile-Ser TWVKGYNQQAUNRN-ACZMJKKPSA-N 8.045 219.13397 Tyr-Gln UBAQSAUDKMIEQZ-QWRGUYRKSA-N 8.481 310.13895 Xanthosine UBORTCNDUKBEOP-UUOKFMHZSA-N 7.382 285.08276 3,4-Dihydroxyacetophenone UCQUAMAQHHEXGD-UHFFFAOYSA-N 4.005 153.04808 Pro-Trp UEKYKRQIAQHOOZ-KGLIPLIRSA-N 6.994 302.14993 Propionylcarnitine UFAHZIUFPNSHSL-MRVPVSSYSA-N 6.335 218.13863 1-Ethyl-4-piperidinylamine UFETTXCVHFVMPU-UHFFFAOYSA-N 8.555 129.13846 Inosine UGQMRVRMYYASKQ-KQYNXXCUSA-N 6.292 269.08783 Lys-Glu UGTZHPSKYRIGRJ-YUMQZZPRSA-N 9.79 276.15567 Cytidine UHDGCWIWMRVCDJ-XVFCMESISA-N 6.916 244.09264 Ser-Gln UJTZHGHXJKIAOS-CRCLSJGQSA-N 9.428 234.108 Asp-Pro UKGGPJNBONZZCM-WDSKDSINSA-N 9.12 231.09746 Gln-Ser UKKNTTCNGZLJEX-WHFBIAKZSA-N 9.329 234.1086 Val-Glu UPJONISHZRADBH-SVRRBLITSA-N 8.308 247.12827 Glu-Ser UQHGAYSULGRWRG-WHFBIAKZSA-N 9.464 235.09258 6-(gamma,gamma-Dimethylallylamino)purine riboside USVMJSALORZVDV-SDBHATRESA-N 1.892 336.16599 Ile-Lys UWBDLNOCIDGPQE-GUBZILKMSA-N 9.056 260.19632 Tetraethylene glycol UWHCKJMYHZGTIT-UHFFFAOYSA-N 1.652 195.12241 3'-O-Methylguanosine UYARPHAXAJAZLU-KQYNXXCUSA-N 5.8 298.11487 Trp-Gly UYKREHOKELZSPB-JTQLQIEISA-N 7.564 262.11877 Trimethylamine N-oxide (TMAO) UYPYRKYUKCHHIB-UHFFFAOYSA-N 5.455 76.07565 Guanine UYTPUPDQBNUYGX-UHFFFAOYSA-N 6.501 152.05641 Ser-Asp VBKBDLMWICBSCY-IMJSIDKUSA-N 9.397 221.07704 Asn-Thr VBKIFHUVGLOJKT-IWGUZYHVSA-N 9.182 234.10823 Val-Tyr VEYJKJORLPYVLO-NWDGAFQWSA-N 7.551 281.14935 His-Glu VHOLZZKNEBBHTH-YUMQZZPRSA-N 9.623 285.11914 Cadaverine VHRGRCVQAFMJIZ-UHFFFAOYSA-N 9.016 103.12269 His-Val VLDVBZICYBVQHB-IUCAKERBSA-N 8.668 255.14465 Prolinamide VLJNHYLEOZPXFW-UHFFFAOYSA-N 6.452 115.08659 Tyr-Pro VNYDHJARLHNEGA-RYUDHWBXSA-N 7.462 279.13403 Thr-Ala VPZKQTYZIVOJDV-LMVFSUKVSA-N 8.496 191.10278 N6-Methyladenosine VQAYFKKCNSOZKM-IOSLPCCCSA-N 3.519 282.11923 gamma-Glutamyltyrosine VVLXCWVSSLFQDS-QWRGUYRKSA-N 8.601 311.12369 Dopamine VYFYYTLLBUKUHU-UHFFFAOYSA-N 6.2 154.08612 O-Acetylserine VZXPDPZARILFQX-UHFFFAOYSA-N 7.828 148.06015 Thr-Tyr WCRFXRIWBFRZBR-PPKCKEKNSA-N 8.009 283.12802 Glutamic acid WHUUTDBJXJRKMK-UHFFFAOYSA-N 8.776 148.05986 Val-Asn WITCOKQIPFWQQD-FSPLSTOPSA-N 8.587 232.12933 Ser-Gly WOUIMBGNEUWXQG-VKHMYHEASA-N 9.187 163.07143 Ala-Pro WPWUFUBLGADILS-UHFFFAOYSA-N 8.115 187.10774 ectoine WQXNXVUDBPYKBA-YFKPBYRVSA-N 7.831 143.08147 His-Thr WRPDZHJNLYNFFT-DTLFHODZSA-N 9.479 257.12433 His-Asn WSDOHRLQDGAOGU-BQBZGAKWSA-N 9.762 270.11911 Ala-Trp WUGMRIBZSVSJNP-UFBFGSQYSA-N 7.43 276.13443 5'-Methylthioadenosine WUUGFSXJNOTRMR-IOSLPCCCSA-N 2.62 298.09656 Arg-Ala WVRUNFYJIHNFKD-WDSKDSINSA-N 9.615 246.15619 Trigonelline WWNNZCOKKKDOPX-UHFFFAOYSA-N 7.423 138.05469 N-Acetyl-leucine WXNXCEHXYPACJF-UHFFFAOYSA-N 2.085 174.1122 Thr-His WXVIGTAUZBUDPZ-DTLFHODZSA-N 9.635 257.12457 Arg-Leu WYBVBIHNJWOLCJ-DTWKUNHWSA-N 8.674 288.20258 Ala-Asp XAEWTDMGFGHWFK-IMJSIDKUSA-N 8.974 205.08223 Gly-Tyr XBGGUPMXALFZOT-VIFPVBQESA-N 8.139 239.10051 Lys-Met XBZOQGHZGQLEQO-IUCAKERBSA-N 9.11 278.15292 L-Valinamide XDEHMKQLKPZERH-BYPYZUCNSA-N 6.271 117.10212 3-Aminobenzoic acid XFDUHJPVQKIXHO-UHFFFAOYSA-N 1.363 138.05475 Leu-Ser XGDCYUQSFDQISZ-BQBZGAKWSA-N 7.915 219.13399 5'-DEOXYADENOSINE XGYIMTFOTBMPFP-KQYNXXCUSA-N 2.98 252.10904 L-Homocitrulline XIGSAGMEBXLVJJ-UHFFFAOYSA-N 8.7 190.11823 N-Acetylhistamine XJWPISBUKWZALE-UHFFFAOYSA-N 6.016 154.09735 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)- XLUAWXQORJEMBD-UHFFFAOYSA-N 1.157 197.12846 His-Phe XMAUFHMAAVTODF-STQMWFEESA-N 8.045 303.14551 Glu-Phe XMBSYZWANAQXEV-QWRGUYRKSA-N 8.138 295.12881 2-Dimethylamino-6-hydroxypurine XMSMHKMPBNTBOD-UHFFFAOYSA-N 4.109 180.08801 Arg-Thr XNSKSTRGQIPTSE-VQVTYTSYSA-N 9.692 276.16626 Urea XSQUKJJJFZCRTK-UHFFFAOYSA-N 2.765 61.03983 Arg-Tyr XTWSWDJMIKUJDQ-RYUDHWBXSA-N 9.239 338.18259 N-Acetyl-L-methionine XUYPXLNMDZIRQH-UHFFFAOYSA-N 3.118 192.06871 Leu-His XWOBNBRUDDUEEY-UWVGGRQHSA-N 8.697 269.16086 Val-Gln XXDVDTMEVBYRPK-SVRRBLITSA-N 8.437 246.14427 N6,N6-dimethyllysine XXEWFEBMSGLYBY-ZETCQYMHSA-N 9.189 175.14374 Ser-Ser XZKQVQKUZMAADP-IMJSIDKUSA-N 9.433 193.08217 Biotin YBJHBAHKTGYVGT-UHFFFAOYSA-N 2.992 245.0952 Kynurenine YGPSJZOEDVAXAB-UHFFFAOYSA-N 6.826 209.103 O-Phosphocholine YHHSONZFOIEMCP-UHFFFAOYSA-N 9.631 184.07317 Gly-His YIWFXZNIBQBFHR-LURJTMIESA-N 9.729 213.09822 2'-Deoxyguanosine YKBGVTZYEHREMT-KVQBGUIXSA-N 6.556 268.10388 3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione YNHVZXATNGMVNC-UHFFFAOYSA-N 6.149 324.14481 Lys-Val YQAIUOWPSUOINN-IUCAKERBSA-N 9.176 246.18106 Val-Met YSGSDAIMSCVPHG-YUMQZZPRSA-N 7.286 249.1268 5-Hydroxylysine YSMODUONRAFBET-UHNVWZDZSA-N 9.787 163.10782 .alpha.-L-Glu-L-Tyr YSWHPLCDIMUKFE-QWRGUYRKSA-N 8.353 311.12305 DL-Norleucinamide YTIHIRCOUAPRCS-UHFFFAOYSA-N 5.937 131.11781 Ser-His YZMPDHTZJJCGEI-BQBZGAKWSA-N 9.793 243.10902 Asp-Phe YZQCXOFQZKCETR-UWVGGRQHSA-N 8.253 281.11279 L-Saccharopine ZDGJAHTZVHVLOT-YUMQZZPRSA-N 9.816 277.13901 L-Glutamine ZDXPYRJPNDTMRX-UHFFFAOYSA-N 8.624 147.07613 Glycyl-L-4-hydroxyproline ZJQXGJBINIMBOY-UHNVWZDZSA-N 8.79 189.08684 S-Adenosyl-homocysteine ZJUKTBDSGOFHSH-WFMPWKQPSA-N 8.778 385.12827 Pro-Leu ZKQOUHVVXABNDG-IUCAKERBSA-N 7.123 229.15456 Lys-Thr ZOKVLMBYDSIDKG-CSMHCCOUSA-N 9.741 248.16054 Guanosine 3',5'-cyclic monophosphate ZOOGRGPOEVQQDX-BDXYJKHTSA-N 8.367 346.05423 3-Methyladenine ZPBYVFQJHWLTFB-UHFFFAOYSA-N 5.269 150.09131 Histidinol ZQISRDCJNBUVMM-UHFFFAOYSA-N 8.404 142.09734 Tyr-His ZQOOYCZQENFIMC-STQMWFEESA-N 9.149 319.14023 Ala-Ile ZSOICJZJSRWNHX-ACZMJKKPSA-N 7.664 203.13879 Asp-Leu ZVDPYSVOZFINEE-BQBZGAKWSA-N 8.008 247.12903 Quinoline-2,8-diol ZXZKYYHTWHJHFT-UHFFFAOYSA-N 1.748 162.06593 METABOLITES_END #END