#METABOLOMICS WORKBENCH Koji_Atarashi_20210524_011143 DATATRACK_ID:2653 STUDY_ID:ST001851 ANALYSIS_ID:AN002999 PROJECT_ID:PR001168 VERSION 1 CREATED_ON June 29, 2021, 9:31 am #PROJECT PR:PROJECT_TITLE Bile acid composition in Human fecal samples PR:PROJECT_SUMMARY Centenarians, or individuals who have lived more than a century, represent the PR:PROJECT_SUMMARY ultimate model of successful longevity associated with decreased susceptibility PR:PROJECT_SUMMARY to ageing-associated illness and chronic inflammation. The gut microbiota is PR:PROJECT_SUMMARY considered to be a critical determinant of human health and longevity. Here we PR:PROJECT_SUMMARY show that centenarians (average 107 yo) have a distinct gut microbiome enriched PR:PROJECT_SUMMARY in microbes capable of generating unique secondary bile acids, including iso-, PR:PROJECT_SUMMARY 3-oxo-, allo-, 3-oxoallo-, and isoallo-lithocholic acid (LCA), as compared to PR:PROJECT_SUMMARY elderly (85-89 yo) and young (21-55 yo) controls. PR:INSTITUTE Keio University PR:DEPARTMENT School of Medicine PR:LABORATORY Dept of Microbiology and Immunology PR:LAST_NAME Atarashi PR:FIRST_NAME Koji PR:ADDRESS 35 Shinanomachi, Shinjuku-ku, Tokyo, JAPAN PR:EMAIL kojiatarashi@keio.jp PR:PHONE 0353633769 #STUDY ST:STUDY_TITLE Quantitative analysis of bile acids in fecal samples from centenarians, elderly ST:STUDY_TITLE and young subjects. ST:STUDY_SUMMARY Fecal samples from centenarians (>100 yo), elderly (85-89 yo) and young (21-55) ST:STUDY_SUMMARY subjects were analysed using LC-MS/MS. 48 bile acids were measured by targeted ST:STUDY_SUMMARY metabolomics. ST:INSTITUTE Keio University School of Medicine ST:DEPARTMENT Dept of Microbiology and Immunology ST:LAST_NAME Koji ST:FIRST_NAME Atarashi ST:ADDRESS 35 Shinanomachi, Shinjuku-ku, Tokyo, JAPAN ST:EMAIL kojiatarashi@keio.jp ST:PHONE 0353633769 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 CE030 CE030-2 Category:Centenarian RAW_FILE_NAME=201106_BA_h_C1-64_6500_1.wiff; Raw data sample name=C1 SUBJECT_SAMPLE_FACTORS CE032 CE032-2 Category:Centenarian RAW_FILE_NAME=201106_BA_h_C1-64_6500_1.wiff; Raw data sample name=C2 SUBJECT_SAMPLE_FACTORS CE042 CE042-2 Category:Centenarian RAW_FILE_NAME=201106_BA_h_C1-64_6500_1.wiff; Raw data sample name=C3 SUBJECT_SAMPLE_FACTORS CE046 CE046-2 Category:Centenarian RAW_FILE_NAME=201106_BA_h_C1-64_6500_1.wiff; Raw data sample name=C4 SUBJECT_SAMPLE_FACTORS CE050 CE050-2 Category:Centenarian RAW_FILE_NAME=201106_BA_h_C1-64_6500_1.wiff; 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Raw data sample name=E100 SUBJECT_SAMPLE_FACTORS KWS11002 KWS11002 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E101 SUBJECT_SAMPLE_FACTORS KWS11003 KWS11003 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E102 SUBJECT_SAMPLE_FACTORS KWS11004 KWS11004 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E103 SUBJECT_SAMPLE_FACTORS KWS11005 KWS11005 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E104 SUBJECT_SAMPLE_FACTORS KWS11006 KWS11006 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E105 SUBJECT_SAMPLE_FACTORS KWS11007 KWS11007 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E106 SUBJECT_SAMPLE_FACTORS KWS11008 KWS11008 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E107 SUBJECT_SAMPLE_FACTORS KWS11009 KWS11009 Category:Elderly RAW_FILE_NAME=201108_BA_h-E55-108_6500_2.wiff; Raw data sample name=E108 SUBJECT_SAMPLE_FACTORS KH010 KH010 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y1 SUBJECT_SAMPLE_FACTORS KH101 KH101 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y2 SUBJECT_SAMPLE_FACTORS KH102 KH102 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y3 SUBJECT_SAMPLE_FACTORS KH103 KH103 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y4 SUBJECT_SAMPLE_FACTORS KH104 KH104 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y5 SUBJECT_SAMPLE_FACTORS KH105 KH105 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y6 SUBJECT_SAMPLE_FACTORS KH106 KH106 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y7 SUBJECT_SAMPLE_FACTORS KH107 KH107 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y8 SUBJECT_SAMPLE_FACTORS KH108 KH108 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y9 SUBJECT_SAMPLE_FACTORS KH109 KH109 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y10 SUBJECT_SAMPLE_FACTORS KH011 KH011 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y11 SUBJECT_SAMPLE_FACTORS KH110 KH110 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y12 SUBJECT_SAMPLE_FACTORS KH111 KH111 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y13 SUBJECT_SAMPLE_FACTORS KH112 KH112 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y14 SUBJECT_SAMPLE_FACTORS KH113 KH113 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y15 SUBJECT_SAMPLE_FACTORS KH114 KH114 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y16 SUBJECT_SAMPLE_FACTORS KH115 KH115 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y17 SUBJECT_SAMPLE_FACTORS KH116 KH116 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y18 SUBJECT_SAMPLE_FACTORS KH117 KH117 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y19 SUBJECT_SAMPLE_FACTORS KH118 KH118 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y20 SUBJECT_SAMPLE_FACTORS KH119 KH119 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y21 SUBJECT_SAMPLE_FACTORS KH012 KH012 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y22 SUBJECT_SAMPLE_FACTORS KH120 KH120 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y23 SUBJECT_SAMPLE_FACTORS KH121 KH121 Category:Young RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=Y24 SUBJECT_SAMPLE_FACTORS KH122 KH122 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y25 SUBJECT_SAMPLE_FACTORS KH123 KH123 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y26 SUBJECT_SAMPLE_FACTORS KH124 KH124 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y27 SUBJECT_SAMPLE_FACTORS KH126 KH126 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y28 SUBJECT_SAMPLE_FACTORS KH013 KH013 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y29 SUBJECT_SAMPLE_FACTORS KH014 KH014 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y30 SUBJECT_SAMPLE_FACTORS KH015 KH015 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y31 SUBJECT_SAMPLE_FACTORS KH017 KH017 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y32 SUBJECT_SAMPLE_FACTORS KH018 KH018 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y33 SUBJECT_SAMPLE_FACTORS KH002 KH002 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y34 SUBJECT_SAMPLE_FACTORS KH003 KH003 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y35 SUBJECT_SAMPLE_FACTORS KH004 KH004 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y36 SUBJECT_SAMPLE_FACTORS KH005 KH005 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y37 SUBJECT_SAMPLE_FACTORS KH006 KH006 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y38 SUBJECT_SAMPLE_FACTORS KH007 KH007 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y39 SUBJECT_SAMPLE_FACTORS KH009 KH009 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y40 SUBJECT_SAMPLE_FACTORS KH029 KH029-2 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y41 SUBJECT_SAMPLE_FACTORS KH052 KH052 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y42 SUBJECT_SAMPLE_FACTORS KH053 KH053 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y43 SUBJECT_SAMPLE_FACTORS KH054 KH054 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y44 SUBJECT_SAMPLE_FACTORS KH055 KH055 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y45 SUBJECT_SAMPLE_FACTORS KH056 KH056 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y46 SUBJECT_SAMPLE_FACTORS KH057 KH057 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y47 SUBJECT_SAMPLE_FACTORS KH058 KH058 Category:Young RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=Y48 SUBJECT_SAMPLE_FACTORS CEL3000 CEL3000 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D1 SUBJECT_SAMPLE_FACTORS CEL3001 CEL3001 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D2 SUBJECT_SAMPLE_FACTORS CEL3002 CEL3002 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D3 SUBJECT_SAMPLE_FACTORS CEL3007 CEL3007 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D4 SUBJECT_SAMPLE_FACTORS CEL3008 CEL3008 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D5 SUBJECT_SAMPLE_FACTORS CEL3009 CEL3009 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D6 SUBJECT_SAMPLE_FACTORS CEL3011 CEL3011 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D7 SUBJECT_SAMPLE_FACTORS CEL3013 CEL3013 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D8 SUBJECT_SAMPLE_FACTORS CEL3003 CEL3003 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y1-24-D1-9_CM1-3_6500_1.wiff; Raw data sample name=D9 SUBJECT_SAMPLE_FACTORS CEL3018 CEL3018 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D10 SUBJECT_SAMPLE_FACTORS CEL3021 CEL3021 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D11 SUBJECT_SAMPLE_FACTORS CEL3025 CEL3025 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D12 SUBJECT_SAMPLE_FACTORS CEL3026 CEL3026 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D13 SUBJECT_SAMPLE_FACTORS CEL3027 CEL3027 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D14 SUBJECT_SAMPLE_FACTORS CEL3029 CEL3029 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D15 SUBJECT_SAMPLE_FACTORS CEL3030 CEL3030 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D16 SUBJECT_SAMPLE_FACTORS CEL3031 CEL3031 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D17 SUBJECT_SAMPLE_FACTORS CEL3032 CEL3032 Category:Direct (lineal) descendants and siblings of centenarians RAW_FILE_NAME=201110_BA_h-Y25-48-D10-18_6500_2.wiff; Raw data sample name=D18 SUBJECT_SAMPLE_FACTORS STD-1 STD20-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD20 SUBJECT_SAMPLE_FACTORS STD-1 STD19-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD19 SUBJECT_SAMPLE_FACTORS STD-1 STD18-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD18 SUBJECT_SAMPLE_FACTORS STD-1 STD17-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD17 SUBJECT_SAMPLE_FACTORS STD-1 STD16-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD16 SUBJECT_SAMPLE_FACTORS STD-1 STD15-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD15 SUBJECT_SAMPLE_FACTORS STD-1 STD14-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD14 SUBJECT_SAMPLE_FACTORS STD-1 STD13-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD13 SUBJECT_SAMPLE_FACTORS STD-1 STD12-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD12 SUBJECT_SAMPLE_FACTORS STD-1 STD11-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD11 SUBJECT_SAMPLE_FACTORS STD-1 STD10-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD10 SUBJECT_SAMPLE_FACTORS STD-1 STD9-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD9 SUBJECT_SAMPLE_FACTORS STD-1 STD8-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD8 SUBJECT_SAMPLE_FACTORS STD-1 STD7-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD7 SUBJECT_SAMPLE_FACTORS STD-1 STD6-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD6 SUBJECT_SAMPLE_FACTORS STD-1 STD5-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD5 SUBJECT_SAMPLE_FACTORS STD-1 STD4-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD4 SUBJECT_SAMPLE_FACTORS STD-1 STD3-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD3 SUBJECT_SAMPLE_FACTORS STD-1 STD2-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD2 SUBJECT_SAMPLE_FACTORS STD-1 STD1-1 Category:standard RAW_FILE_NAME=201105_BA_STD20_6500_1.wiff; Raw data sample name=STD1 SUBJECT_SAMPLE_FACTORS STD-2 STD20-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD20 SUBJECT_SAMPLE_FACTORS STD-2 STD19-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD19 SUBJECT_SAMPLE_FACTORS STD-2 STD18-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD18 SUBJECT_SAMPLE_FACTORS STD-2 STD17-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD17 SUBJECT_SAMPLE_FACTORS STD-2 STD16-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD16 SUBJECT_SAMPLE_FACTORS STD-2 STD15-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD15 SUBJECT_SAMPLE_FACTORS STD-2 STD14-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD14 SUBJECT_SAMPLE_FACTORS STD-2 STD13-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD13 SUBJECT_SAMPLE_FACTORS STD-2 STD12-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD12 SUBJECT_SAMPLE_FACTORS STD-2 STD11-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD11 SUBJECT_SAMPLE_FACTORS STD-2 STD10-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD10 SUBJECT_SAMPLE_FACTORS STD-2 STD9-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD9 SUBJECT_SAMPLE_FACTORS STD-2 STD8-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD8 SUBJECT_SAMPLE_FACTORS STD-2 STD7-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD7 SUBJECT_SAMPLE_FACTORS STD-2 STD6-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD6 SUBJECT_SAMPLE_FACTORS STD-2 STD5-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD5 SUBJECT_SAMPLE_FACTORS STD-2 STD4-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD4 SUBJECT_SAMPLE_FACTORS STD-2 STD3-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD3 SUBJECT_SAMPLE_FACTORS STD-2 STD2-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD2 SUBJECT_SAMPLE_FACTORS STD-2 STD1-2 Category:standard RAW_FILE_NAME=201107_BA_STD_6500_2.wiff; Raw data sample name=STD1 SUBJECT_SAMPLE_FACTORS STD-3 STD20-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD20 SUBJECT_SAMPLE_FACTORS STD-3 STD19-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD19 SUBJECT_SAMPLE_FACTORS STD-3 STD18-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD18 SUBJECT_SAMPLE_FACTORS STD-3 STD17-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD17 SUBJECT_SAMPLE_FACTORS STD-3 STD16-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD16 SUBJECT_SAMPLE_FACTORS STD-3 STD15-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD15 SUBJECT_SAMPLE_FACTORS STD-3 STD14-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD14 SUBJECT_SAMPLE_FACTORS STD-3 STD13-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD13 SUBJECT_SAMPLE_FACTORS STD-3 STD12-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD12 SUBJECT_SAMPLE_FACTORS STD-3 STD11-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD11 SUBJECT_SAMPLE_FACTORS STD-3 STD10-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD10 SUBJECT_SAMPLE_FACTORS STD-3 STD9-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD9 SUBJECT_SAMPLE_FACTORS STD-3 STD8-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD8 SUBJECT_SAMPLE_FACTORS STD-3 STD7-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD7 SUBJECT_SAMPLE_FACTORS STD-3 STD6-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD6 SUBJECT_SAMPLE_FACTORS STD-3 STD5-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD5 SUBJECT_SAMPLE_FACTORS STD-3 STD4-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD4 SUBJECT_SAMPLE_FACTORS STD-3 STD3-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD3 SUBJECT_SAMPLE_FACTORS STD-3 STD2-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD2 SUBJECT_SAMPLE_FACTORS STD-3 STD1-3 Category:standard RAW_FILE_NAME=210119_BA_STD_6500_2.wiff; Raw data sample name=STD1 #COLLECTION CO:COLLECTION_SUMMARY Stool samples were collected by the individuals using sterile faeces containers CO:COLLECTION_SUMMARY and transported to the lab in cooling-box with ice and Anaero pack within 24 CO:COLLECTION_SUMMARY hours of sample collection. Immediately after arriving, samples were aliquoted CO:COLLECTION_SUMMARY and stored at -80°C until further analysis. CO:SAMPLE_TYPE Feces CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Frozen feces were crushed with a metal bead using a Multi-Beads Shocker (Yasui TR:TREATMENT_SUMMARY Kikai). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Accurately weighed freeze-crushed faecal samples were resuspended in 20 times SP:SAMPLEPREP_SUMMARY the volume of water (e.g. 12.5 mg of faece in 250 μL water). 250 μL of faecal SP:SAMPLEPREP_SUMMARY suspension was homogenized in 747 μL of 0.27 N NaOH by ultrasonication for 1 hr SP:SAMPLEPREP_SUMMARY in a screw-cap glass vial containing 3 μL of deuterium-labelled internal SP:SAMPLEPREP_SUMMARY standards (d4-CA, d4-GCDCA, d4-TCDCA, d4-CDCA-3S, and d4-LCA, 50 μM each). SP:SAMPLEPREP_SUMMARY After incubation for 1 hr at room temperature, pH was adjusted to 8.0 using 8 N SP:SAMPLEPREP_SUMMARY HCl, mixed with 110 μL of 0.5 M EDTA/0.5 M TrisHCl. The solution was SP:SAMPLEPREP_SUMMARY centrifuged at 15,000 rpm and the supernatant was transferred onto a solid-phase SP:SAMPLEPREP_SUMMARY extraction cartridge (Agilent Bond Elut C18, 100 mg/3 mL, preconditioned with 1 SP:SAMPLEPREP_SUMMARY mL of methanol and 3 mL of water, three times). The cartridge was washed with 1 SP:SAMPLEPREP_SUMMARY mL of water and captured bile acids were eluted with 300 μL of 90% ethanol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 2 μL was injected to LC/ESI-MS/MS (Triple Quad 6500+ tandem mass spectrometer, CH:CHROMATOGRAPHY_SUMMARY equipped with an ESI probe and Exion LC AD ultra-high pressure liquid CH:CHROMATOGRAPHY_SUMMARY chromatography system; SCIEX). A separation column, InertSustain C18 (150 mm × CH:CHROMATOGRAPHY_SUMMARY 2.1 mm ID, 3 μm particle size; GL Sciences Inc.), was utilized at 40 °C. A CH:CHROMATOGRAPHY_SUMMARY mixture of 10 mM ammonium acetate and acetonitrile was used as the eluent and CH:CHROMATOGRAPHY_SUMMARY the separation was carried out by linear gradient elution at a flow rate of 0.2 CH:CHROMATOGRAPHY_SUMMARY mL/min. The mobile phase composition was gradually changed as follows: ammonium CH:CHROMATOGRAPHY_SUMMARY acetate-acetonitrile (86:14, v/v) for 0.5 min, (78:22, v/v) for 0.5-5 min, CH:CHROMATOGRAPHY_SUMMARY (72:28, v/v) for 5-28 min, (46:54, v/v) for 28-55 min, (2:98, v/v) for 55-66 CH:CHROMATOGRAPHY_SUMMARY min, and (2:98, v/v) for 4 min. The total run time was 70 min. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Exion LC CH:COLUMN_NAME InertSustain C18 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex Triple Quad 6500+ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The following MS parameters were used for the positive ion MRM mode: ion spray MS:MS_COMMENTS voltage; 5,500 V, interface temperature; 500 °C, curtain gas; 30 psi, collision MS:MS_COMMENTS gas (nitrogen); 9 psi, nebulizing gas; 80 psi, and heater gas; 80 psi. For the MS:MS_COMMENTS negative ion MRM mode: ion spray voltage; -4,500 V, interface temperature; 500 MS:MS_COMMENTS °C, curtain gas; 30 psi, collision gas (nitrogen); 9 psi, nebulizing gas; 80 MS:MS_COMMENTS psi, and heater gas; 80 psi. Samples were obtained using Analyst software MS:MS_COMMENTS ver1.71 and analysed using SCIEX OS-MQ software ver1.7.0.36606. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nM MS_METABOLITE_DATA_START Samples CE030-2 CE032-2 CE042-2 CE046-2 CE050-2 CE054 CE055-2 CE061-2 CE062-2 CE068-2 CE151 CE071-2 CE073-2 CE076 CE080 CE084 CE085 CE086-2 CE087-3 CE088-2 CE089 CE090 CE091 CE092-2 CE093 CE096 CE097 CE098 CE099 CE100-2 CE101-2 CE102-2 CE103 CE104 CE105 CE106 CE107 CE108 CE109 CE110 CE111 CE114 CE117 CE121 CE122 CE125 CE127 CE131 CE005 CE011 CE018 CE019 CE020-2 CE023 CE024-2 CE025 CE031 CE036 CE038 CE041 CE045 CE048 CE052 CE056 CE063 CE069 CE070 CE116 CE118 CE123 CE124 CE128 CE129 CE130 CE132 CE133 CE136 CE137 CE138 CE139 CE140 CE143 CE145 CE148 CE149 CE153 CE154 CE155 CE157 CE001 CE003-2 CE004 CE006 CE007 CE008 CE028-2 CE029-2 CE065-2 CE072 CE074 CE077 CE079 CE081 CE095 CE134 CE150 CE159 CE161 CE162 CE164 CE165 CE166 CE167 CE169 CE170 CE171 CE173 CE175 CE176 CE177 CE178 CE179 CE180 CE182 CE183 CE184 CE185 CE188 CE030 CE032 CE042 CE046 CE050 CE055 CE061 CE062 CE068 CE071 CE073 CE086 CE087 CE087-2 CE088 CE092 CE100 CE101 CE102 CE020 CE024 CE003 CE028 CE029 CE065 KWS10452 KWS10454 KWS10459 KWS10460 KWS10461 KWS10463 KWS10464 KWS10465 KWS10466 KWS10467 KWS10468 KWS10469 KWS10473 KWS10476 KWS10477 KWS10478 KWS10480 KWS10539 KWS10543 KWS10545 KWS10546 KWS10548 KWS10552 KWS10560 KWS10563 KWS10631 KWS10636 KWS10637 KWS10641 KWS10647 KWS10661 KWS10784 KWS10893 KWS10894 KWS10895 KWS10896 KWS10897 KWS10900 KWS10903 KWS10904 KWS10905 KWS10906 KWS10909 KWS10910 KWS10911 KWS10912 KWS10915 KWS10917 KWS10481 KWS10486 KWS10538 KWS10540 KWS10547 KWS10549 KWS10550 KWS10551 KWS10555 KWS10556 KWS10558 KWS10559 KWS10561 KWS10562 KWS10567 KWS10632 KWS10633 KWS10635 KWS10638 KWS10639 KWS10642 KWS10644 KWS10646 KWS10648 KWS10649 KWS10650 KWS10651 KWS10652 KWS10653 KWS10655 KWS10656 KWS10657 KWS10659 KWS10919 KWS10983 KWS10984 KWS10985 KWS10986 KWS10987 KWS10988 KWS10989 KWS10991 KWS10992re KWS10993 KWS10994 KWS10995 KWS10996 KWS10997 KWS10998 KWS10999 KWS11000 KWS11001 KWS11002 KWS11003 KWS11004 KWS11005 KWS11006 KWS11007 KWS11008 KWS11009 KH010 KH101 KH102 KH103 KH104 KH105 KH106 KH107 KH108 KH109 KH011 KH110 KH111 KH112 KH113 KH114 KH115 KH116 KH117 KH118 KH119 KH012 KH120 KH121 KH122 KH123 KH124 KH126 KH013 KH014 KH015 KH017 KH018 KH002 KH003 KH004 KH005 KH006 KH007 KH009 KH029-2 KH052 KH053 KH054 KH055 KH056 KH057 KH058 CEL3000 CEL3001 CEL3002 CEL3007 CEL3008 CEL3009 CEL3011 CEL3013 CEL3003 CEL3018 CEL3021 CEL3025 CEL3026 CEL3027 CEL3029 CEL3030 CEL3031 CEL3032 Factors Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Centenarian Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Elderly Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Young Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians Category:Direct (lineal) descendants and siblings of centenarians 3-oxo-Δ4,6-LCA 3.036991414 2.78629501 3.315022996 0.905376647 2.672157233 3.931309367 1.363979539 2.900658089 2.788568696 9.325172756 0.782296456 3.807190709 0.945232455 5.838163036 1.723917549 3.337583493 6.845854109 4.558846184 1.233724842 1.715016708 0.655645007 4.072813573 12.74568443 2.015873296 3.204088602 4.860327563 0.857216444 2.030690591 2.05146805 2.354234018 1.660723109 4.029743613 2.551295557 1.799271594 1.952739043 2.449131375 2.660332326 1.574391017 3.219150175 2.388403446 1.78756287 3.179497312 1.864102366 1.417461565 1.386718354 5.051345388 2.021913031 0.695470098 3.621906515 7.205863539 3.833517688 3.763802287 4.208126844 1.398957352 0.242714811 4.245377783 2.220318327 1.673078649 3.236152699 2.190803584 2.125107922 5.883122393 4.614729638 3.826341212 1.459072388 4.26037496 2.28292263 0.10788547 1.448284949 2.510732664 3.211813626 0.84023357 0.764772377 0.776046984 5.348119764 0.562353154 2.02627837 4.903195302 2.235986698 7.235031494 0.969572191 1.19406571 3.079615962 1.88935613 1.346639807 1.357383756 0.70574064 1.832084984 1.695913266 4.483393994 1.635783028 4.702318666 2.67378783 2.84467917 1.480128616 1.688450353 2.582091014 1.288488683 3.035021729 2.493398097 3.894871847 1.596311784 3.50319217 1.943675964 4.277481314 6.615063388 2.452544438 2.414957574 3.21985469 1.155016929 6.257163927 4.412062616 2.169991224 0.649806087 1.800314316 1.963485757 0.47080625 3.561021031 1.55611057 2.88906374 1.044843193 1.785105359 2.40031884 2.011649941 1.945570926 2.162042249 2.932520872 2.157001551 2.049287778 2.548764444 2.002247928 0.519615565 1.113118677 1.193695543 1.293802507 2.409309279 1.523002607 1.31740703 0.57772188 2.527742592 1.306922397 1.623237412 0.698682599 1.840864754 1.967449299 1.217331498 1.878167887 3.449235209 0.168316442 1.995979921 0.987034931 1.458216416 0.936758416 0.509291486 2.80584533 1.743767184 1.130224694 2.239156817 2.657816161 1.922558114 4.098205011 3.146522855 2.283906971 3.219667674 1.984687521 2.396342884 2.533662699 2.044710526 0.693732232 2.262591512 2.374759057 1.494837388 0.456701787 2.724549505 2.146478368 1.390895327 3.40316002 2.459925681 4.05417498 2.399173683 0.79089792 1.422703411 1.622462842 1.397539327 1.42076197 2.175941218 5.825832815 1.247982736 1.397098245 1.131230353 1.954904758 1.679433089 1.811526262 4.514569309 2.013749251 4.394281157 1.064685943 2.008929182 2.128610965 0.985339805 1.333886861 3.471208407 1.976692524 1.750720374 1.579530203 2.95313703 3.327835913 2.110982614 2.10883647 3.408572691 1.539359008 1.68402671 2.4156605 3.371538265 2.218254754 3.356898096 3.542586794 0.812780677 3.690991828 0.603756475 1.89355359 1.286881249 2.466405249 0.796328251 1.610569219 2.48152698 2.430782667 0.990501092 2.760251055 0.688179417 1.062656421 2.543207798 1.912435213 3.197528082 2.92628889 2.622044822 2.979670412 2.041618525 2.611348502 1.713729662 2.353402374 4.254031237 0.350844052 3.922461611 3.617217005 1.788414087 0.225593563 2.43832253 3.349482182 2.804355653 2.425017902 6.231280627 5.380828416 3.503817715 2.157680496 6.372876933 3.512129982 1.48714091 4.457999959 3.870260693 6.283843071 1.738069676 3.92821313 3.963393503 1.649184138 2.099295602 2.339237625 3.580491098 2.180761586 3.322775169 1.453770054 3.401072902 2.259237032 1.895814511 2.708023524 2.351453499 2.793563857 1.51707417 4.010214552 2.645337771 1.599499888 3.394339909 8.011622166 3.152286686 2.92461043 4.302895642 1.229962831 1.949031904 1.10906468 2.782024087 2.773732598 4.06741599 1.707352069 2.483592729 3.3227952 0.387411618 3.506950171 6.077482721 2.24686802 3.674461091 0.785171401 1.490911322 4.126068227 1.301584053 4.766116177 3.30225695 2.890486863 3.47272868 1.142237551 3.61044184 3.148991812 0.967035959 3.347055757 1.731242387 1.372176656 2.264865094 3.627140692 1.22088058 3.275673022 2.843301281 3.356166926 2.447405929 2.809915175 10.84550394 3.932660346 2.957248387 4.839660369 3-oxo-Δ4-LCA 1.295447899 2.364764134 3.825196787 1.314045501 2.297259459 5.55458088 0.285143309 3.017096441 6.716076699 5.598343868 0.414547681 0.931585302 2.175803448 1.690330233 1.646280583 3.255656231 1.855202181 3.376380512 0.958628448 2.744864474 0.460462877 1.510205795 7.219090858 3.751233509 4.559602865 0.81759033 1.135761279 5.223810654 5.094354539 2.704836261 1.162101826 2.904844989 0.37278416 2.481174435 4.799824374 4.264248866 2.142178118 3.131452543 3.245186917 1.000444281 1.098765771 0.005542094 1.987948452 1.445618752 1.529952961 11.85932755 4.85065493 1.194079672 0.785222742 6.476210247 3.907312327 3.228393272 6.897310035 9.523225059 1.017358002 3.882967888 N/A 4.814596642 1.688536079 1.267053362 3.891396417 4.961314706 5.990651866 0.77616966 3.509001727 1.555280119 2.97773836 0.142635325 0.945927816 2.354816148 1.441377815 3.641461776 0.461001681 1.275300115 2.376897605 1.340862668 3.320676498 2.961075055 2.887035302 4.211002978 2.00309098 4.581462506 3.19335835 1.785207236 0.971762693 1.919208054 2.088267551 2.129609333 1.403827137 31.99532577 4.959194672 2.929012549 4.244306942 4.041229618 1.097493229 0.736915007 0.952510178 6.375878582 3.137541807 0.477578129 1.101946237 6.975376538 3.23956433 < 0 2.813690758 4.67578287 0.79389915 6.291391618 3.211604451 1.431649644 4.554040816 5.304562797 3.084316969 0.075546652 3.181466882 1.33892656 1.488857923 1.320085595 1.121393508 9.830110041 0.573178125 1.277653305 3.522604912 0.779081408 1.328770649 0.77393139 9.288805913 1.089698223 1.200751081 2.750042833 1.053984275 0.788927539 1.005994446 0.453602713 1.754539327 6.296322566 0.589671454 0.699473839 1.896868139 6.752803688 0.414047731 0.245892511 1.485484385 8.674595387 1.169813486 0.888766004 2.023606291 1.613910142 0.917267823 7.686213593 0.999921444 < 0 0.233970511 0.047262811 3.824526085 0.096515304 0.006538288 3.210715349 23.35961526 1.034556131 2.373494196 0.648706911 1.076536191 0.135631339 0.586207592 0.323059568 2.562319331 2.549881841 1.361681377 3.488090799 0.337423334 N/A N/A 1.476502161 2.868384153 0.810490227 1.226230102 2.055254607 1.910597243 0.518111496 0.12630266 0.547447887 0.180235952 0.972528165 2.496086984 1.378948029 7.449724126 2.117881943 0.826879288 2.750350083 2.042287395 0.651672793 0.99543204 5.147656164 0.444127006 0.101678389 1.466481357 1.035560124 1.773703264 < 0 0.360023697 0.716127793 2.557869264 0.952099168 1.023269573 1.19746454 14.61204259 0.585919504 5.766641032 1.833545877 0.176891587 2.453021283 2.726788511 0.638456965 2.28961213 0.532442584 0.325540167 1.001941549 4.726696468 2.225419245 5.251778628 0.857206575 1.92968256 1.158109014 3.254088476 0.817595651 1.699318439 1.84674022 5.266177856 0.072096012 5.991741193 5.657728892 3.236770275 0.343050659 3.805661714 5.737984281 1.120988368 2.736348421 4.216270458 0.708614119 1.383731489 2.137640928 1.012259054 2.183390645 1.180577347 < 0 < 0 4.073723371 1.67358492 17.76340241 1.861984989 0.075367379 < 0 15.81739424 0.928256507 0.571142996 2.719794983 2.331105477 3.577783071 2.029306746 8.562392234 5.372695626 0.325097622 0.074960683 < 0 0.452473091 0.900234353 0.652234447 1.531098446 N/A 0.363087467 1.332438027 0.970911339 0.864382829 0.953382824 6.635695584 1.626469956 1.085401285 1.876907412 6.378075664 < 0 0.630370482 6.796286588 0.719581418 0.455886593 3.214406947 0.739457987 1.726525443 2.691193989 4.398778481 2.147454574 0.350112371 < 0 0.16431153 0.027614862 < 0 0.445739373 3.83476521 0.1438723 0.264896552 0.837149663 1.389759224 1.043760679 0.390057585 0.88388402 1.638101469 2.633604494 0.207773758 < 0 4.857510944 0.962334568 N/A 0.341286722 0.529355571 0.455197964 1.037847036 0.111430144 2.521781589 0.678401765 0.899263327 2.310953314 0.095912302 3.944965695 1.691836275 5.182067142 0.394803564 0.727373707 3-oxoalloLCA N/A N/A N/A N/A N/A N/A N/A 69.44747805 N/A 18.46852049 N/A N/A 85.34749598 N/A N/A 28.16698052 N/A 28.2099283 N/A N/A 4.365599965 10.0451705 98.13474475 N/A 6.774185836 N/A 9.408670872 73.91506632 32.50551792 N/A N/A N/A N/A 24.39829617 115.005935 32.04157261 4.87832761 N/A 15.06003887 N/A N/A N/A 18.78435074 6.423460583 43.63997279 455.9494835 46.86774967 N/A 8.719375 11.44655627 23.81156336 6.278755843 28.12018727 66.38951127 33.94612245 N/A N/A 30.30093181 N/A N/A N/A 6.841624339 93.78200433 N/A 20.99368813 N/A 14.03181013 N/A 6.281755808 N/A N/A 28.05009827 N/A N/A N/A 15.72465471 22.1788336 N/A 26.07926794 14.9678475 26.33873447 41.80548409 N/A 11.39211682 N/A N/A 48.80113584 51.70507335 N/A 271.2995994 16.04208272 16.90249597 121.0304626 16.32532997 3.568693011 N/A 8.569133372 N/A N/A N/A N/A 22.07292397 57.73670866 N/A N/A 13.08449607 N/A 122.7417914 14.61245458 20.39144296 18.92741579 10.91604809 37.43591356 N/A N/A 5.011667016 14.90454115 21.04907106 N/A 21.97431273 N/A N/A 20.85785261 N/A N/A N/A 63.56648279 N/A 3.85903552 N/A 2.731208205 N/A 1.382443437 1.193581436 19.25244778 5.196008646 6.153317269 3.084078434 31.42896894 46.68571272 2.623522351 N/A 1.377793157 4.750857107 4.188950427 N/A 11.58097882 13.59169454 24.93807169 21.50302299 N/A N/A 1.693556096 N/A N/A N/A N/A 7.675305821 15.03021652 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 10.18040902 N/A N/A N/A N/A N/A N/A N/A N/A N/A 8.04770646 N/A N/A N/A N/A 4.349937938 N/A N/A N/A N/A N/A N/A N/A N/A 12.84411792 N/A N/A 7.023255283 3.575226941 N/A N/A N/A N/A N/A N/A N/A N/A 8.856774569 N/A 5.983866615 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5.296153143 32.93571703 N/A N/A N/A N/A N/A 5.163861513 N/A 6.39442663 N/A 18.17833698 11.18199343 12.49080068 N/A N/A 26.82442468 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.236203413 N/A 21.42960592 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.423392297 24.92762343 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 56.16559742 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.030582411 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-oxoLCA 15.72997862 308.6541756 570.4074996 107.5961825 268.6126738 69.0551769 167.9088344 636.1762396 436.9975975 772.0768326 28.77504621 190.7417854 400.9367776 103.5363711 190.860873 568.613503 1125.752659 403.4410399 265.5920566 167.2515112 71.15004021 328.7878217 1788.013524 350.1026459 510.8862747 234.165234 200.6723258 426.4572136 764.3863156 407.9261297 273.9690496 268.7056455 109.230866 549.0315546 1168.663222 1102.551165 207.6056123 147.4017722 484.4334093 58.15511393 274.9221359 20.86343957 226.9012853 233.4614881 379.9447924 3663.119035 965.8356173 150.2290749 176.7472597 827.1298889 386.6057877 670.3251791 911.3843393 851.5804251 297.1502388 264.9241383 2.342090341 1194.099353 419.771011 83.266263 423.1359405 709.1895654 1522.326409 134.2890805 543.0346822 100.2786789 219.8867885 N/A 90.09954719 151.1916948 76.00032581 422.6492193 122.755351 174.6034548 200.1793768 250.437894 422.1055977 118.4776767 224.9897287 507.4089127 710.1637608 410.5261227 330.9254939 273.3526672 94.89833463 154.16667 309.015193 826.7773202 127.616213 3289.000378 474.8536552 232.00196 1391.093375 293.9330436 184.7942452 175.0235017 334.3322927 438.3491313 230.8198958 51.45494665 83.06878455 599.7162312 370.2686635 N/A 174.0462297 469.3030628 79.64686972 933.9879755 1044.901798 239.2111403 649.5186862 532.8423005 385.7329463 23.51848124 241.2528961 286.7052267 232.3748313 289.1242036 136.417811 764.7310403 62.07988708 139.4699871 250.5312355 50.62667386 273.0190913 226.5781432 1234.120881 100.8489304 217.7503346 835.6729005 235.8588509 143.7245044 353.9958563 171.5825639 337.0671241 571.3117647 194.2458252 193.1773955 653.9425372 1149.539548 348.0735708 199.3487236 147.1283008 1431.58947 263.3108446 246.0219368 638.5915639 387.0029471 429.8523171 941.8338062 454.8097181 89.64432158 137.2491716 4.628258673 244.9090694 22.06462442 85.30548944 186.0447175 1103.262372 117.9633419 202.0360076 73.71737881 68.20001905 10.4955081 58.45662272 132.5525165 235.8029948 208.7328214 125.915161 259.3690484 53.51671223 8.651424139 N/A 233.8543869 221.6512849 80.58758126 99.44505088 278.0726017 185.1751515 112.630408 25.53437965 71.33718069 63.65196158 82.9492712 263.4350382 168.2861769 266.2228083 320.8437438 87.53885923 376.6798099 231.6459728 99.85726452 193.6502623 382.0355172 74.64847782 69.99158024 246.4864331 111.1229783 166.2138082 37.55199057 9.919611902 133.9997032 228.1172602 126.3052624 N/A 70.6041504 679.2925243 46.49863801 241.424146 97.45711223 N/A 227.9391529 252.0367184 32.96341061 197.0236707 30.08259905 31.33835397 68.29934121 117.0099224 243.4743157 756.3099209 121.1675005 123.5778437 51.16410565 244.4838196 34.47588012 215.8078417 342.6833855 404.5468904 3.081095052 477.339777 291.0307229 421.2796747 N/A 288.866668 427.7616488 46.42069137 386.7981812 181.9703245 51.76123615 37.33632784 105.2917394 263.115982 237.5228375 110.7815999 N/A 12.79925483 421.9932304 189.7882583 1456.520033 82.04979742 N/A N/A 913.4381892 110.6373426 N/A 86.89659359 235.9453022 282.9672537 205.5293489 341.9586141 343.9776535 25.86022232 N/A N/A 137.2461699 44.54499281 127.4838489 64.06591604 N/A N/A 115.4767061 255.255187 90.24303636 43.96555222 489.5824431 68.55405747 168.5786168 239.1930891 606.6068527 N/A 54.66585462 458.4770062 73.85226584 14.99355789 140.6013947 106.9544461 163.8190626 217.4375564 406.0216867 218.532262 61.25071581 N/A 16.8927687 N/A N/A 66.18287299 296.2632047 N/A 89.18531708 55.6128424 76.04613768 80.29695674 71.70619483 N/A 117.2477715 69.73713435 21.078043 N/A 445.2341389 68.4218561 N/A 39.29738398 35.54036851 33.13664457 244.7314514 N/A 185.9104911 22.96023279 66.87640186 134.456323 N/A 213.5318233 130.874095 244.0866348 N/A 52.62853544 7-oxoCA 2.940645297 3.260924882 5.48113526 3.933747683 3.219190555 N/A 2.556143786 8.69597946 2.785500406 11.22336727 2.095228355 2.898350703 31.16054168 19.75041354 3.298600677 4.075651716 7.547769159 24.57172938 2.495911413 8.387457358 16.55192962 5.60667228 11.70400472 N/A 4.681596418 4.41746765 N/A N/A N/A 5.696496731 15.04133136 33.27068857 1.909303201 6.327944456 N/A 14.98087761 3.740028881 1.873593494 3.750535347 2.762618705 2.857145731 193.5726525 2.970420157 2.836824917 10.11226553 6.006997034 4.241674558 2.244912419 3.216931754 N/A N/A 5.26796934 36.20054468 4.151751893 3.293470529 2.576478868 432.8869062 7.589829998 4.353762561 3.044719165 5.298268094 5.868343727 2.602927084 2.264092833 N/A N/A N/A 8.658637904 1.929655169 55.41141561 44.64548915 N/A 2.10093689 7.132038068 N/A N/A 9.862001776 139.5821607 7.605675927 N/A 13.18737937 4.608728331 8.876343938 6.205145078 3.259554622 5.130611198 3.847582424 3.960156105 N/A 3.109282459 1.633914926 166.3241026 6.167873572 8.688261513 14.87396351 2.976089064 N/A 23.472904 11.34263877 N/A N/A 6.373808901 N/A 288.5139887 6.86446777 N/A N/A 7.920884466 31.31188838 N/A 51.44519955 70.04346146 N/A 4.192729549 N/A 3.3269175 3.969781479 21.61227193 N/A N/A 5.8376109 N/A N/A 5.61925971 N/A N/A N/A 16.66095355 N/A N/A N/A N/A N/A N/A N/A 12.16044746 5.701200639 N/A 80.08321505 7.42348644 N/A 6.926452709 7.365604878 N/A N/A 23.40492368 6.259918523 21.16496688 N/A N/A N/A N/A N/A 18.27350777 2.264311904 10.03032806 7.511633541 2.496153318 2.607518744 12.27901637 8.804839178 4.117303284 105.4124881 16.73650356 41.26405533 5.790167365 16.88170967 39.01696525 N/A 5.947506037 6.078188421 43.51819104 142.479387 3.195733824 9.058490864 2.31828779 3.401249547 4.435223431 3.469978641 2.217608492 1.759534475 6.898086875 6.127880187 1.881400882 1.825231464 34.55982002 18.83538131 4.38902436 2.5750152 18.95913618 17.23663751 8.98077349 2.085645775 12.93787586 2.800268386 89.27501867 6.134444128 3.005349194 13.64575901 27.14197235 369.162832 20.66512209 2.279561854 2.867075797 703.9498159 2.479989071 2.607966115 5.695217247 3.140317047 111.2418923 392.2174647 N/A 19.02593313 10.52924281 7.254748707 37.63687612 63.23998381 N/A N/A 4.733534992 N/A N/A 9.192948144 11.00329381 N/A 132.953002 N/A N/A N/A 211.9681445 N/A N/A N/A 1878.581771 N/A N/A 109.6406701 28.03556055 74.8756546 7.645157391 13.88020749 82.59789911 N/A 140.0923797 9.408705414 726.6039744 N/A 12.16339274 N/A N/A 2.35686237 43.32336252 2244.792415 11.78117757 4.764685046 510.0425565 49.62687112 3.126203328 9.677648784 4.570820554 20.73449809 2.151486382 17.25437835 313.7151529 2220.985965 15.72686568 70.12433967 59.33057115 4.917375096 1210.45715 136.6544933 10.58249623 6.87237908 12.47360121 18.5646604 26.18782122 2.781593509 5.404764667 N/A 3.320341499 225.1618094 48.86252594 16.94771496 144.4665515 46.99112814 232.0701389 112.5068056 5.91694706 4.558096549 7.07167956 20.26928843 121.5870775 274.8658081 63.51939051 699.9382395 43.6140682 148.2785624 30.15561557 97.05663213 N/A N/A 9.993215125 15.57293415 66.43725952 1145.256685 336.5407411 19.86027594 8.058128075 271.9421672 2.845985894 1.871270672 145.1252975 181.1205805 2.223484751 2.577429503 2.179491435 1748.049998 N/A 24.42467485 7.59680745 41.2595103 438.9701003 N/A 134.1484865 33.9230376 794.8683124 60.0999959 3-oxo-Δ4-CDCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1.190489701 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.864109244 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.675478332 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3.342848852 N/A N/A N/A N/A N/A N/A N/A 2.472164593 N/A N/A N/A N/A N/A 2.413784291 0.757003406 N/A N/A N/A N/A N/A N/A N/A N/A N/A 1.05324818 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.350132425 0.840905498 0.57616848 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.576135962 N/A N/A N/A N/A 2.491244958 N/A N/A N/A N/A N/A N/A 4.780496163 N/A 4.151980675 2.805956662 7-oxoCDCA 12.82843919 32.59846595 62.72161056 11.21110907 28.09526784 3.291487135 9.873700192 51.66445369 6.55918513 9.838197202 N/A 8.306847037 143.7411525 50.06113857 19.07639802 13.27491468 31.70296604 132.9687333 7.981939438 87.22072656 46.18100511 15.89488691 35.50396517 7.358445716 15.61457615 30.34754715 N/A 16.38609851 N/A 38.83070499 21.51414492 86.74924993 N/A 12.87593484 5.519740802 75.11039134 9.347653679 3.824535583 N/A 7.292630376 10.55613997 1034.132361 N/A 14.79302204 30.78781286 6.488257669 3.506280714 4.07050513 4.854493828 24.07336095 8.268745576 78.0919392 154.0298559 7.415053582 33.75426249 3.423329452 413.4202197 18.63840965 17.17393963 3.472481411 5.73898416 25.3972806 17.34526556 11.03187647 16.69825595 N/A N/A 3.788538845 32.2821897 28.68318127 160.9562095 7.654672066 N/A 94.22391852 N/A N/A 23.00120689 214.4575625 4.93020183 N/A 17.86549442 17.25254338 N/A 12.16852369 N/A 13.38123613 12.68201874 51.95569122 N/A 25.17356802 5.129031587 309.8969321 32.45544729 N/A 34.80821397 N/A 20.72467759 53.73750017 38.90321893 3.029651389 N/A 8.707990864 N/A 124.0217152 11.85981377 N/A 2.97482086 36.99057605 21.21822492 27.71875937 118.1482182 228.319592 4.427623469 19.28490418 N/A 7.38812481 34.10216284 93.46944458 12.87747655 N/A 14.25901953 N/A 24.6526167 16.36183658 N/A 5.43448161 11.60356631 N/A 13.24309447 47.80029619 33.81987155 24.98551308 47.26314091 28.56555908 N/A 43.4237701 N/A N/A 340.5089001 27.33071174 77.56060423 144.0257953 34.48453856 18.9003862 18.81265106 28.59315799 13.38496491 85.08160961 10.06848337 N/A N/A N/A 35.61517387 37.01959351 7.27567923 28.43735994 19.61070583 N/A 3.632710441 49.95992299 38.28191389 10.6327086 187.3926701 23.55090083 87.35807533 14.50244502 26.38419684 52.26309495 2.691204107 10.62888482 42.98385099 100.1584041 108.8709972 9.879946118 9.518166092 N/A N/A N/A 11.24758637 N/A N/A 27.83677298 2.637288715 N/A 3.360902008 75.12897591 95.46420888 7.776338631 6.441583677 35.13610497 15.60509959 18.21742501 4.461927859 23.98727288 3.687451955 133.1519534 12.3688501 6.895776362 18.8437689 41.14121752 137.4476502 10.89825165 15.417362 11.37133366 187.0000007 12.1004812 N/A 18.25108624 6.493402767 157.6228015 163.1292499 N/A 7.896492182 57.4724156 7.223205046 138.0118463 178.1553029 5.562458798 17.5952851 8.398593091 N/A 7.00084916 15.50003273 18.6449523 14.17034479 325.328856 3.204189523 N/A N/A 272.0942216 5.172699079 N/A N/A 49.57949972 4.638360886 4.801132776 111.0193233 28.75929965 64.21150091 13.60918259 53.21542156 74.55953723 N/A 378.9252464 N/A 431.2276273 N/A 32.26482771 2.349081013 20.08416852 3.537191007 78.56527856 1211.04458 42.94357962 17.98008562 525.34582 77.36510511 13.53357344 8.854894849 10.121198 29.2560536 N/A 69.56113655 450.4398573 427.303083 141.7866578 104.3982981 218.1535517 24.02919561 720.9875172 57.16247923 24.53564893 63.27896367 6.965360307 48.59935219 61.65789282 8.790390319 37.52821227 N/A N/A 452.3349237 81.18655505 70.39886336 193.1612504 128.0471245 356.4798368 250.9818561 15.02038252 19.58552175 5.396285634 106.1750023 266.6084051 246.1729152 96.44038071 210.4293875 17.17890396 363.4434746 57.41598698 160.402765 5.121514232 N/A 17.21711842 28.53826466 124.9369854 607.8493209 488.6321259 13.67910196 47.32188018 284.3543576 N/A N/A 516.1939783 254.9269981 3.74593635 4.460508305 N/A 808.338103 12.31472104 16.51751866 N/A 130.1764838 294.6731075 N/A 261.5286711 75.02080405 278.4793432 69.14225577 βMCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 6.337970163 N/A N/A 3.112010159 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3.19764911 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 12-oxoDCA 137.2932499 176.6306289 2130.160178 120.2960291 1483.188588 295.3207966 442.5661464 671.5797907 265.5562701 3418.244868 71.39145494 1246.501806 4711.511135 876.2802503 381.4828732 2382.487839 3893.707833 393.635358 801.0350792 534.466707 636.8426213 1919.26379 479.3672818 240.6795577 543.4951779 1761.555634 569.9614194 415.0335469 1259.037968 2034.907216 22.97399751 723.4464483 652.0554552 578.6105195 2046.64062 2082.744749 558.2289514 623.4297018 720.2579832 180.9559375 152.6729283 343.6270525 228.2890118 550.0111324 1406.792528 7231.146211 3449.903906 116.9262594 297.1179769 673.0863239 1309.903246 5816.280136 2902.982599 2703.590152 2267.929642 200.4645771 116.689719 3581.658192 1479.167828 143.2971144 237.352758 1710.598831 2005.473323 62.89999336 664.5492906 184.9133273 369.6291872 35.35999255 498.2750961 740.6416327 269.4835701 508.4716697 276.1914993 1981.777591 443.6474441 760.7778093 1077.734146 953.4202824 1259.728796 2026.915378 1061.855587 651.1492784 1247.902975 476.8129958 1229.836853 691.1886366 308.5955996 1918.431611 1414.01187 1839.089469 1735.889513 1526.224037 1902.975064 709.5202187 874.3030847 416.3142645 965.0680631 2541.362523 3297.34696 262.506894 134.0482168 479.912275 1991.579319 2.377768636 772.5648931 3080.818643 576.3685941 3997.674236 3416.062493 835.8115167 3204.133747 1454.91882 1439.297787 51.61863761 1011.354679 937.0335874 669.6064436 1592.954851 580.5503328 1384.058098 329.9664964 1028.277197 1052.771995 348.7580274 456.6103838 620.5689001 2894.305189 785.4187788 687.1352039 1355.504195 832.0918451 218.6931514 2916.614385 912.4828865 647.3316551 1786.211629 715.8024122 1459.225181 7000.354763 491.8716318 1867.201768 3680.404956 823.3589769 1541.520434 3711.511247 137.2646792 3584.9001 864.8939195 1157.168348 1837.698132 1351.927195 485.8546049 698.1854016 65.63520689 757.3823309 128.6860782 721.5573615 395.9223939 1188.844723 380.6784826 1218.103609 273.526935 793.8205853 65.23488251 681.8089381 173.0000569 959.4705367 520.1623382 160.7724109 488.5392282 98.04740261 144.6244356 5.699883706 1124.92749 141.3608382 462.1075119 566.10828 1027.734444 692.9155805 200.8815165 29.47560265 374.2340849 1342.140679 489.7386824 364.6135497 969.4306897 1014.604224 1420.567419 483.8245879 388.5613447 2842.081257 171.5647097 624.8635721 433.8462147 388.8816855 1282.770365 1092.782776 1206.466181 962.9748594 347.1456696 12.20321152 1180.077237 1060.713694 198.7988258 N/A 1040.749457 1524.809781 296.1973492 863.7900114 473.9217852 18.37162276 785.9465531 913.7284634 1539.249997 893.2882535 458.3414888 848.1018867 388.9533625 1538.596269 325.8706395 1398.399734 635.997194 1288.86471 225.7509482 1599.155694 346.9460427 1710.721061 1607.111113 1927.227107 218.5238189 1081.380399 2440.000928 672.072279 N/A 2351.791213 1989.32044 508.2304163 2916.695389 781.3053692 321.4457993 590.9331575 1736.584513 110.3995821 566.2627257 3175.307728 N/A 58.01794365 1224.412422 1006.509464 13772.09079 964.7828315 475.1034029 212.5890752 1462.308245 1460.090162 N/A 1131.10452 1532.817763 1569.195287 533.1709217 1489.772747 1133.655399 444.9657396 N/A N/A 588.6140615 273.4556659 934.6799911 488.8989852 27.30861609 N/A 938.2402327 2487.451583 167.3234095 1239.194138 3147.762504 779.3120445 298.1405307 721.220866 3204.117732 39.97780158 520.5529735 1467.390864 637.0107564 184.4638222 793.7204895 390.7842193 2078.490305 259.3262761 4593.24288 568.1154555 519.2811005 N/A 476.5358783 2.691048007 7.993395284 397.9580374 1231.135998 399.0327375 473.3841525 655.7737156 351.4031158 1365.039541 378.8222566 N/A 1256.679895 1046.832572 534.8725688 18.6522205 1441.852213 269.1824486 N/A 361.0954644 277.1939789 341.3746228 2211.367425 N/A 878.2058225 808.5593364 1006.809057 2143.975196 431.4739387 1459.448741 1868.561747 1217.591639 < 0 838.9050408 3-oxoDCA 20.46231214 182.8704913 434.1815398 43.72307885 272.6477976 21.93735184 203.7069511 132.3202564 170.5753836 599.5596518 22.85512008 358.2330898 853.7998147 228.6710393 187.7385681 321.1458387 869.2632268 169.9390313 237.0418877 142.2111185 123.5087116 555.2041035 220.6396039 83.85331261 260.0963906 392.2428767 305.7817439 81.27613541 233.0703585 350.9001162 180.1465894 244.0622625 156.3744074 218.130231 654.1233804 520.3459948 214.5790229 134.1425508 164.0354124 62.10540031 234.9745316 62.94289086 104.5671071 161.4313414 389.4511255 2792.465044 581.1595362 116.4529265 269.5984123 258.5550346 144.5111308 571.8815401 484.5272558 333.4699527 383.5678105 196.1783553 44.00013186 659.5522714 479.2835616 53.29556882 406.5049731 452.514918 787.0779049 68.81462269 239.2079711 45.19086792 85.96811041 9.102378429 87.35268305 169.9822839 109.1179099 250.4106801 45.61123864 372.8022648 186.2289853 200.5276146 321.7233331 200.409686 90.99405003 447.4467897 310.3302654 136.6485967 302.7958833 113.1064809 250.7148638 200.9101151 43.96315586 629.773397 178.5897486 472.378346 428.5304702 434.154056 511.2061083 131.741423 226.8087445 242.7347847 412.919369 491.6968888 748.7520054 68.29729134 40.63775384 59.59646538 348.0814713 1.48668627 190.9409211 583.9928239 80.08466548 677.331641 766.9691212 254.4278522 476.5048149 363.6596981 374.0173212 12.58294851 190.8528979 248.8494705 308.0277195 385.2990527 168.0005903 215.9411369 146.7585607 173.2304264 222.8037428 106.8438504 98.31717086 271.493265 575.7264865 142.3896603 147.9190946 378.5302664 205.154704 106.2646992 199.1087154 299.4262684 255.0017727 492.5754874 217.2510585 289.911825 1186.122208 809.3252674 494.3409425 742.045381 141.2308424 89.253782 806.7967823 155.5365534 626.0613665 178.8783092 405.1286128 361.5217123 589.8500059 221.0808264 150.3805798 28.9227349 206.9539541 28.89407959 207.0797815 102.8808305 288.7845047 277.5249162 195.8577545 119.6702167 168.2936679 19.18405455 159.8130489 39.76976245 106.7477324 100.4238306 84.79358647 71.88519684 58.96607008 44.58778827 N/A 269.208055 119.8716614 132.5932655 158.6652593 184.6889994 146.3863718 132.3368648 15.88589185 120.4997283 321.6021882 143.0366669 122.2791757 221.418586 176.0570297 242.2457233 116.970476 179.0880763 556.8417699 58.22180435 184.9706194 138.6606074 75.10269587 221.1343574 273.6705287 165.3320333 139.6412763 109.0814523 13.72422055 251.2382978 185.9260319 137.5891632 N/A 188.9321681 343.1311694 63.83835181 138.9064195 114.5366064 5.182889249 234.5508964 344.1418296 177.2802778 237.7617755 97.5985763 178.0983053 70.35616865 233.5726026 138.5502851 435.1542908 89.18587957 139.0281448 127.9655223 169.2557717 118.8810892 261.8612306 383.2121272 245.4779467 37.82373649 135.573863 281.2955394 497.2093105 N/A 323.1389761 275.1535584 94.2717373 444.263817 181.9222062 101.4131197 140.9657242 272.3939087 27.60337303 146.0597291 476.1043209 N/A 5.291257929 254.8052946 138.9214786 1236.547823 94.63022834 57.39373988 66.63717201 751.5335388 154.7014117 14.90700612 179.1042576 193.8712145 512.0732364 110.2093372 217.2626917 284.5987243 81.59285266 2.062756203 0.789880498 250.5373528 82.18710525 207.1662125 222.0526699 13.43250329 N/A 305.7316516 597.3825673 106.0054294 249.0822036 513.4416232 236.3524424 305.559471 335.1222203 573.4224505 18.21241038 171.551238 384.0841697 334.2341872 60.09845007 264.0514888 124.010374 401.5547341 195.5188559 916.7054509 171.3744935 150.1429695 1.890055906 102.8876487 1.445354142 2.802888215 179.6290555 223.0475623 70.32254286 137.813409 164.7281617 52.24597172 283.6652476 151.031258 N/A 379.2402542 223.8097579 92.24750616 5.220826661 283.8197976 56.876058 N/A 117.9779143 75.38758433 78.13998756 442.3171255 N/A 296.3550421 123.8629972 134.5052006 353.8566368 90.11250374 278.1339269 330.8755753 250.8001631 N/A 121.2046039 CDCA 31.16062984 337.818177 28.5738975 80.06070597 67.64007111 27.32351066 53.17864989 162.3803303 21.85824436 24.62447813 43.32171329 37.25496104 111.209532 383.9883273 28.53334365 54.15169864 93.58449932 202.625865 22.84265742 139.4187738 138.2586669 32.35094213 92.87734212 16.70748216 29.52040164 59.72401465 9.931942578 32.82310628 18.10445479 43.93570986 109.5041682 131.9554532 14.90525492 42.64618082 15.13484763 71.60925112 37.5909865 4.940197605 26.35205553 24.41179217 25.87144348 3922.552567 6.118890635 29.80899924 27.36634291 10.07917015 4.956439017 21.30538923 42.09958839 91.03747784 44.63209669 49.24891168 418.6771121 14.97209352 77.12400343 24.68488647 3336.31698 38.41863963 36.06936257 21.34712686 17.17383237 27.51536222 93.11221216 26.30767499 10.92486101 50.42678909 75.01626278 6.271841664 180.0617096 145.0793119 1119.686726 42.69753862 0.998304418 117.0957464 65.42526077 5.990476796 22.69698425 271.142132 192.4242762 15.385288 17.91047884 42.38933928 39.14764029 51.80255639 63.16274264 24.82483644 28.42453811 45.4850773 17.73550073 25.00093705 15.09428979 371.2612575 37.69410194 24.02669237 122.4703025 16.03469315 74.41654433 61.37968906 381.9197187 20.40935964 57.78403498 27.5044149 7.643178261 5832.278686 29.81965714 26.52266557 14.08006665 69.24807991 36.82777264 32.33412633 150.4805428 326.4393182 10.62397711 137.6289277 29.76392371 55.98336023 62.24538077 72.61141862 52.49527807 19.84351058 99.73933295 32.72770831 88.59009314 40.49588085 47.23197916 27.11592632 6.808007922 82.03869634 26.09990238 104.1594292 96.63884571 47.69455736 46.52188651 94.68615117 87.23725651 75.19169941 32.76297316 84.25085036 323.7086505 46.67510089 117.7795148 125.0793408 41.57377269 25.72267942 34.64072533 145.0644991 60.40555709 353.2789762 44.6577176 19.68218883 24.90992768 49.6657781 49.12726007 155.4463184 28.5366155 408.4309825 218.4041052 32.23001819 6.600616088 66.53356333 140.42317 202.3562614 745.2538344 102.1780279 189.6083691 97.84976587 79.13614289 345.2242478 22.15699463 66.23430652 240.078017 824.1402475 505.9004871 40.66679179 36.12078474 60.17495398 41.61381788 55.01666839 40.70818935 18.40436057 23.32036441 89.53577176 25.62037496 7.799951556 20.71460931 373.8918094 330.8172173 58.28165848 37.71540534 124.9734291 115.5907739 64.71449573 27.0397105 48.45272721 36.11993985 569.2694252 346.492267 79.58378228 329.9150802 187.1307062 202.2096193 45.02320035 91.42539306 60.11430339 257.518344 179.1875078 50.85990531 75.9936789 56.4192906 488.1979194 1847.355428 15.1813992 110.3990464 374.8709244 167.8045835 1062.58047 1181.419486 5.76617666 139.0114431 20.45744022 32.17856978 75.27045594 145.2750293 99.97303893 230.2481036 1569.111226 25.42068825 2.542781377 23.88438676 2749.082579 39.4853327 28.47601867 26.16414279 156.1664092 54.44818127 23.66341859 410.0557735 159.8107345 191.6203703 62.61487339 613.6694068 1490.33243 46.45409096 823.0855351 533.9625068 897.6446128 6.365736601 105.1340277 27.66427618 14.33040453 12.89786142 1146.270819 3675.48978 73.81728713 115.5368763 1136.318554 303.1014498 51.67214868 177.2772777 38.14498998 402.4285284 4.239556353 951.8181476 2713.260104 1009.124444 308.7323532 1323.022047 1212.80123 77.56799729 6748.691033 94.02558978 103.5403474 121.120895 70.42497873 248.4313307 70.56215905 77.67211541 80.68123495 23.72059345 21.45876026 6939.592903 484.1776337 173.3517009 294.2117031 1887.976231 549.5651377 517.7140882 62.85006368 33.67688613 60.33831972 213.5400856 1078.213594 4022.031382 2408.402564 2709.074354 1216.820537 682.1602532 243.6014475 1301.069016 44.3836965 13.54242941 116.3084535 129.0382068 564.4699665 878.8653119 1161.100299 105.9191852 350.8402881 2401.37496 50.84782886 13.48004638 3421.677191 1027.158682 40.0889251 34.43774719 28.45545483 2720.306567 69.60340047 130.9330728 140.0184334 299.0880827 1040.952014 15.94534225 2844.840752 182.8039774 1683.452561 2268.231781 MDCA 2.826841547 7.732308797 2.973704435 4.226034074 2.207369061 8.535397785 4.093210741 3.115297377 2.651801511 10.65321806 5.133302038 2.321839614 14.7260109 5.974762828 3.372247293 5.704667463 5.272145819 27.66183803 N/A 9.117258371 19.47590813 10.40007766 12.54183036 3.869026337 7.150452739 4.88544227 9.630610696 N/A 4.298786115 1.714098698 N/A 3.287990218 N/A 3.723041653 4.707966949 31.63671542 N/A N/A 11.60025874 N/A N/A 4.155639356 5.181568464 N/A 14.4512001 N/A N/A 2.379998596 5.444008326 12.60348087 3.127126848 N/A 6.128139421 N/A 57.17344195 N/A 3.346146774 N/A N/A N/A 2.712004974 N/A 5.263995282 6.419541891 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 39.20678795 13.0247177 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 17.42480284 N/A 4.443141876 N/A 5.964755341 N/A 6.150821051 9.323531072 4.090026864 N/A N/A N/A 14.89442508 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 33.11133056 N/A N/A N/A N/A N/A N/A N/A N/A 25.85695248 11.16496593 N/A N/A N/A 18.04150144 N/A N/A N/A 11.6465304 38.10079904 N/A N/A N/A N/A N/A 1.314699391 N/A N/A 2.279226201 0.879442681 2.294316361 3.333294994 2.955735168 1.681377751 N/A 5.417816519 1.803119971 3.568310159 3.880741197 3.316689156 2.50110924 N/A 1.96738639 N/A 1.497082201 2.271129013 N/A 2.531087563 4.392725043 5.056520578 2.28958193 N/A N/A 1.67904494 3.908384194 N/A 2.306922579 N/A 2.619166908 N/A 4.641687094 3.331143639 1.186881713 N/A 9.032464843 N/A 5.922324947 1.426230646 1.554891209 N/A 0.50855059 0.757322962 N/A 2.304088024 1.892668033 N/A 1.054877158 N/A N/A N/A N/A N/A N/A N/A N/A 7.503589838 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 8.440686591 N/A 4.226848662 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.008950084 N/A N/A N/A 5.851354122 N/A N/A N/A 2.282290953 N/A N/A N/A N/A 10.46216742 1.445014202 N/A N/A 1.499725558 2.830560069 N/A 2.262378342 1.481297655 N/A 1.863405495 6.481067246 2.153012381 N/A N/A N/A N/A N/A N/A N/A 7.591452202 N/A 3.644683124 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 10.39069161 N/A N/A N/A 2.088678148 1.463081073 3.019883244 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A DCA 2689.286348 13082.98622 8541.337155 993.5555599 11864.05886 1425.569974 13241.05787 3505.658171 2629.570589 7754.54585 749.628114 21429.40529 23791.56415 24669.2881 9222.477927 14168.46687 21129.31931 7938.35838 6492.212668 4613.890131 23246.71133 15297.76172 4575.019075 366.9172041 8162.070426 24052.20503 15154.1761 734.1800791 7151.670412 10801.39016 1584.37651 6647.065442 5345.693853 5945.127751 6355.917475 12305.02036 8372.716987 3775.325196 5907.722307 1466.205378 2925.909909 16135.25357 2285.122526 6114.288788 5911.646707 26612.63578 9089.237192 2057.746761 16225.53699 9224.48059 6652.574006 17382.62541 9266.231599 6594.82238 16875.21717 2657.838684 4246.524027 9039.518596 21699.11623 1101.87261 5728.983759 5897.701546 15082.89904 5086.690765 1860.46795 2036.207821 8395.232466 43.73866278 4938.9501 6720.339349 5690.786323 1963.327384 251.2069406 16727.69903 9293.270516 3207.613887 2803.038858 8279.069971 3074.181422 5948.049172 4307.428706 1820.842829 11022.40938 3074.732339 12402.6482 4333.490642 1219.066444 10550.10932 4603.316249 1627.730503 10000.00633 16853.77313 5813.84519 2267.888284 16718.33434 4375.780849 20714.0097 16182.1457 14522.57766 6876.263009 1041.807742 364.3556402 4636.540029 868.6645338 7242.028533 12627.91589 6337.393094 9084.377243 8293.589019 4293.924172 7160.118091 5435.450542 7841.009837 681.820839 5797.905518 9786.140152 8317.461297 10989.72561 11144.98404 1565.50155 7749.799505 3376.397751 5637.791979 4667.147628 3800.359545 11098.58825 5496.142597 21187.7798 4405.67468 13323.25089 5517.355545 1354.392667 2816.695902 13351.68049 3787.322294 5255.922325 5033.715275 14200.30787 23385.42212 3773.087113 18245.24676 11345.93532 1184.225661 641.5374133 7091.772712 651.0308149 11375.90404 5128.298883 8337.134252 6769.105404 8505.738872 9784.294819 6327.630052 4258.809836 9229.357997 5038.277643 22342.1811 5902.014256 1374.017061 6191.657416 23317.13417 6639.974712 18865.75005 2095.09843 11223.88933 835.2921883 1456.648278 7754.283207 5522.265144 1293.241083 8126.549215 8413.994472 39.77454041 19264.76774 3051.86521 11657.57438 8361.381927 9740.718844 7182.700043 10787.17249 571.7824808 9008.731835 32917.73271 10532.37104 3129.286999 12927.01921 2370.701883 8603.246473 3111.463721 4125.870267 20400.59555 1675.367404 9921.835162 4111.03021 4172.883401 25385.19646 9704.175961 5260.068143 4621.486759 5226.528901 222.008488 14301.84702 7351.889684 5258.559999 0.753119706 10934.27792 4576.841364 2699.491493 6149.881154 1956.484032 708.8741629 6998.850297 10698.20158 29389.01601 20245.26386 21424.23469 21697.30966 2864.386083 21908.30541 3442.81795 2752.5373 1122.467982 3795.535833 6848.644336 3346.569304 15573.64032 8447.311276 6374.08166 3782.552794 9537.988099 1140.574657 4817.514897 20599.52198 < 0 21119.32356 3542.986202 9457.098188 11227.08023 4297.016565 6735.445436 13621.37039 13659.31173 791.3016736 13478.65752 25158.19742 0.53362146 92.51902278 2722.516595 3399.565295 8584.072641 1379.428061 4560.614053 5273.30059 4638.526184 2905.466451 3.90290378 5180.565809 2991.426188 21829.26868 3693.952716 2704.715567 2707.148951 9963.138964 7.316448198 2.725526625 16899.87589 3747.715754 12567.04246 10107.62337 3170.758917 N/A 11781.55102 14264.9245 5876.895643 18061.11785 3742.073285 6388.873972 15275.27098 7667.756254 6067.065402 3441.747523 11586.37114 8694.951159 15407.05972 5603.906445 5536.568958 4464.109278 17966.01527 3943.801814 28245.47309 3523.578108 9874.938557 85.34409517 5874.450834 167.864915 512.2757479 6691.722745 8841.221142 8642.203573 5819.1123 4215.343388 2075.045065 30373.00443 5841.932149 2.788494933 13978.88886 9269.329395 7999.104694 454.2672751 5436.518221 1810.181546 3.194036627 7114.39987 1866.600912 5288.669684 16284.77694 5.734746362 14583.1326 6442.191834 4314.864003 26326.70841 8405.312734 4668.898007 20423.65843 3788.336172 1.357485417 5134.620472 alloCDCA 7.49218176 27.82309663 6.806394815 16.43891121 11.21977932 N/A 2.676747801 7.571328471 6.847070071 N/A N/A N/A 6.380168875 5.020851783 8.511334965 N/A 51.04912733 7.995312725 7.863653726 12.36743174 N/A N/A 15.15084159 11.09546484 58.77979368 16.30614638 N/A N/A N/A 5.876812873 4.397110307 N/A N/A 8.385743274 N/A N/A N/A N/A N/A N/A N/A 33.73666725 N/A N/A N/A N/A N/A N/A 6.41086308 N/A N/A 3.722815425 10.10516887 N/A N/A N/A 35.5056808 N/A 40.50423905 N/A N/A 9.155993905 N/A 3.957227247 N/A 4.834827778 N/A N/A N/A N/A 21.57170237 N/A N/A 5.101341391 7.986815563 N/A N/A 4.300493546 N/A N/A N/A N/A 5.521774195 N/A 1.946667264 N/A N/A N/A 6.258666876 N/A 17.14182786 30.7057078 2.203647805 N/A 18.4362344 7.064295225 N/A 8.284507707 8.916634493 6.851460517 N/A N/A N/A 80.94895975 34.83979689 22.01220819 N/A N/A 5.015948076 3.960255989 17.11360784 32.38021272 N/A N/A N/A N/A N/A 16.2425906 15.96718898 N/A 5.340625788 N/A 7.631201784 5.192637502 4.111368047 12.12512799 N/A N/A 64.18465485 19.17791723 14.14043585 11.37285541 6.838864899 24.13639561 N/A 21.74861796 N/A 30.18916096 25.58484288 N/A 15.25393188 30.39079615 N/A 33.33959671 30.98409878 N/A N/A 29.77171445 N/A 40.34687047 9.871030095 36.14307111 29.00219781 N/A 2.701526969 N/A N/A N/A 1.715762441 N/A N/A N/A N/A N/A 8.073475886 N/A N/A N/A N/A N/A N/A N/A N/A 4.427640787 12.62234659 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5.122579327 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 10.35680145 12.21906303 N/A N/A 11.90975551 N/A N/A 19.07353298 N/A N/A N/A N/A N/A N/A N/A N/A 11.97117313 N/A N/A N/A 27.25158582 N/A N/A N/A N/A N/A N/A 5.066326391 N/A 3.906680205 9.659357687 N/A N/A N/A N/A N/A 7.046713494 N/A N/A N/A N/A 8.664851219 12.84484016 16.69522214 N/A N/A N/A 3.979931153 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 39.0720621 N/A 18.7220835 N/A N/A N/A N/A N/A N/A N/A 3.993919616 N/A N/A N/A N/A N/A N/A N/A 2.906988575 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 12.85978638 35.78170668 3-oxoCA 0.286223405 N/A 0.168318601 0.159357003 0.376613149 N/A 0.137319859 1.109630971 0.158582652 0.190703951 N/A 0.401178214 2.602606252 1.280050152 0.46033496 N/A 0.401847839 2.222373992 N/A 0.709252424 1.624453269 0.702123547 1.603497319 N/A 0.358320314 0.659713758 N/A 0.134914912 0.17429628 1.043709886 2.98199454 4.932526124 N/A 0.512261326 N/A 1.361850275 0.20530226 N/A N/A N/A 0.77296709 10.11598556 N/A N/A 1.011571848 0.413457906 N/A N/A 0.16243822 0.356960632 N/A 0.247288976 21.88238451 N/A N/A 0.127221889 102.4023876 1.979347444 0.374858271 N/A N/A 1.335087273 0.428157822 0.186765725 0.66610365 0.321052112 0.185788307 0.267190178 0.305666448 4.30882568 5.334953378 0.78126948 0.21684698 0.51996955 0.565149895 0.443860593 0.517185156 4.571155761 0.398278937 0.24105987 0.833041926 0.715845618 0.657057413 0.679793597 0.313582937 0.937515725 0.479470552 0.363521091 0.384039911 0.592099279 0.228725995 6.943599486 0.47756246 0.169142702 2.546202962 0.480612048 0.969995138 1.425703688 1.944881562 0.405895781 0.594897187 N/A 0.400752064 17.52654753 0.258385824 0.923504946 0.342412175 6.738150464 4.899136997 0.527741633 6.000798395 9.476561279 0.331834329 0.602610925 0.542547372 0.235797633 0.673322115 1.174676436 0.398579878 0.846826407 2.345520942 0.299740474 0.644713483 0.518617584 0.188619191 0.342563517 0.34804201 2.175774936 0.317613417 0.327345566 0.668330793 0.34401418 0.524682382 0.325979892 0.76853227 1.473589529 0.23363558 0.485405022 9.658007878 0.848332649 0.404468275 0.708247223 0.624810168 0.231420692 0.573141296 2.525360316 1.568987423 1.379901909 0.347305447 0.229408958 0.860452192 0.604637519 0.352086222 2.103578218 N/A 2.704249543 0.470430599 0.238770371 0.071757796 1.660366092 3.386826263 0.562071099 8.578977477 0.243321774 2.422625666 0.242880759 3.012931934 2.765523121 0.067826844 0.890586424 0.272824933 4.084789928 14.42842455 0.492284669 0.560397661 N/A N/A N/A 0.200024177 N/A N/A 0.738566436 0.501864302 N/A N/A 3.021385259 5.544344313 N/A 0.184774937 3.613486111 2.555080373 2.987545329 0.104130474 0.590237321 N/A 4.962581166 11.86927946 0.533199351 2.545173529 1.582192065 26.82082735 1.098923234 0.036003763 N/A 73.79318632 0.200390501 0.100998586 0.976473079 0.306211308 14.44403447 22.02629665 0.15393222 0.755466249 3.693365019 1.076827414 2.113755564 5.353955825 0.166375174 0.386906511 0.536610322 1.532544189 0.498835818 0.900671902 1.05046976 0.401064275 6.694657892 0.234049088 0.233002081 0.273154706 9.171923926 1.573840027 0.727124267 0.152622631 75.98311151 0.28875777 0.220274255 3.401747933 3.85945554 7.071388771 0.336370053 0.957778822 9.873195308 0.24114217 5.393559124 2.616895619 94.38855215 0.189577016 0.787872906 0.129594964 0.368843816 0.332913765 6.322627696 142.5048748 2.655754409 0.420294016 29.80477008 4.318555544 0.440266492 0.919609915 0.217444832 3.238701571 0.165656747 3.245747273 70.23128715 111.2216661 2.270994182 33.20675834 15.7265755 0.917757673 88.68456056 22.1437338 1.315753092 0.316955935 1.699588142 1.537381698 3.3345133 0.214851239 0.263793097 N/A N/A 102.3213695 10.80614261 2.566239885 25.13960949 9.120550479 16.16463917 4.073451452 0.718229707 0.673326848 0.48897508 3.59343153 7.08659427 47.44206782 20.92763266 58.07353554 6.736039848 17.44324172 4.012803524 7.177387678 0.661315761 0.224116614 2.020144104 0.645159172 11.16112909 42.60342509 26.86772044 1.402960399 0.800215181 40.38045064 N/A N/A 57.33693965 29.54220834 N/A N/A N/A 95.03423067 0.381411988 3.168956793 1.319347405 2.696238774 24.70689604 0.268874032 24.33959492 7.916057205 142.5543697 20.27390911 UCA 1.129181863 4.153742413 1.052714909 6.83954559 20.87304835 1.010056596 2.521997638 23.46732471 13.42069615 2.942269939 1.725875014 2.949225372 16.50682181 65.22237733 5.977354047 2.362480354 2.45559897 45.18644161 182.7052577 19.09536311 5.62426026 9.51327945 5.843712618 N/A 10.02915265 65.12071789 2.595025493 1.879444531 2.247892298 12.84166728 178.2065958 97.11197097 N/A 3.340106177 1.598094557 8.539211728 25.54490749 N/A 4.084978282 11.78135095 1.581087383 3053.182404 3.668766997 3.176711465 11.00469477 3.400337195 N/A N/A 8.784446396 3.982459351 3.478283908 1.658843558 107.5532398 1.308415826 4.813923307 11.75458399 2313.981203 2.904558736 23.75112788 2.705744202 8.246389695 6.502611504 N/A 2.321038666 0.231945159 21.62331136 3.348742711 26.3025426 2.826686562 165.3995022 299.3378551 1.482100922 N/A 42.59975514 21.03454269 1.688681832 4.294902024 29.42180544 11.14435281 1.781328228 16.60737761 3.829846377 6.594784399 2.9677068 48.13229786 2.522328211 7.385168355 3.861851896 51.83132839 1.083562541 0.844243819 39.37505392 3.706845956 0.027595795 6.741509325 4.739230496 5.856405581 35.49746595 1.709954512 4.420315938 1.411936186 2.420636009 < 0 1245.783664 8.794289952 0.75655685 2.132505906 14.94673402 0.563745034 0.804949811 24.42447569 84.15615511 1.33245617 22.64943283 5.269646475 1.30101107 12.42246831 87.60447607 38.08896377 N/A 174.2322084 1.465006158 5.490698829 269.4741218 6.623114476 5.508898505 N/A 0.57011291 8.177543511 28.65061952 3.987500924 1.574493474 58.82542212 8.8822738 5.5713548 32.42304119 3.04157438 26.42361496 20.69306561 N/A 19.33257159 139.2707167 10.72829898 1.405206882 32.35125184 3.441423256 11.03489901 119.2971132 10.67860533 N/A 8.321791986 31.82686958 11.13505625 405.5322775 11.6706692 16.0492212 16.23645475 1.124120888 N/A 7.258328806 36.44190952 1.846733669 16.08630433 11.72215514 229.8241657 1.588828402 2.972090358 50.2039645 1.101630943 10.71003882 26.27564473 253.1433322 2447.074892 13.15780165 16.12242285 N/A 10.9737763 3.159507667 1.278774133 4.098506045 1.247720022 65.94890138 2.753967359 N/A N/A 6.962049848 4.408887369 N/A 1.808900235 14.57563399 2.895109499 2.289772639 N/A 8.877005913 N/A 127.5667849 2.308487201 1.298874659 5.889249104 33.93854846 152.7549996 5.435892438 1.672513249 N/A 1420.489463 2.870285143 1.139867804 9.175861414 N/A 698.0359609 710.0914468 0.322694752 3.733230151 508.6540555 57.39313512 164.7698118 10.40594275 0.267651104 59.57101777 8.067577388 3.022944982 0.554682282 15.29787778 3.179875287 0.309223971 487.2105003 2.67487068 3.029560574 0.230342459 52.90963208 2.780830397 0.242029888 0.909675619 12325.71989 0.425484047 1.476502266 283.5024573 4.255041659 172.3933883 0.39176445 39.04479699 39.54924178 134.6094177 3165.608037 23.51368626 2595.77868 < 0 2.084319619 1.119114836 0.359390715 0.59396865 162.7597971 2722.704684 78.94216793 22.34925976 6826.296262 23.90636341 1.852691492 0.709161189 81.90725139 14.33317771 N/A 25.15700988 4582.055081 1146.060966 792.2054032 156.831332 34.80499061 40.63371969 11308.32437 1126.379389 122.1171992 11.23543648 48.6385014 29.03005227 11.57126123 1.375985607 61.99884757 7.700912188 N/A 1847.005841 163.1598632 78.94459238 1895.216696 101.238408 1771.488428 50.97433783 0.879316752 29.66641861 14.10014961 486.8489323 1541.961872 1571.202844 512.7962841 7259.474083 182.924311 501.7889524 16.95244632 977.4624355 34.01722313 N/A 46.61046348 76.78625603 338.0925949 11052.98366 2476.859489 885.2215301 13.91321585 1497.741256 6.035350622 0.947643903 774.5567727 502.7223901 4.112959307 2.811927425 N/A 8457.425969 17.76249387 44.972488 5.327391621 761.2267044 2324.046073 0.861268804 80.39268111 159.0174313 436.590492 59.81348334 CA 14.90978267 14.23594387 5.320218453 17.55131293 13.67866879 9.714127873 10.67713454 22.62236338 5.229101888 12.63551081 8.82186782 49.684621 43.81072348 227.5455011 7.409915008 16.61417532 22.24562079 46.12793321 5.997564516 15.58294574 93.6710886 13.20443576 20.85543242 5.330414441 12.38251833 12.34698878 4.092184324 8.498192117 4.910478191 17.34456235 43.4066443 85.74419871 4.119868257 10.92643401 6.032722016 24.20308558 11.7121293 3.207214299 9.629814227 10.49749688 12.86702161 1898.947235 3.636753676 11.64877768 12.04935626 8.736891577 N/A 6.524012863 14.83795377 10.54040613 8.968465717 10.28652223 199.0815309 5.366469824 14.86474205 8.253965141 7502.64288 13.30361349 20.51546317 6.943641903 12.75069963 21.28427079 33.96808359 9.721113012 4.435727373 16.58090842 11.6279394 3.486201542 10.24945028 270.7569593 314.5380457 10.03352681 0.432593472 15.58415729 26.65224723 9.302807369 8.590634238 179.1697036 146.3237863 23.0001254 20.91726514 19.88596458 77.17693063 20.27476726 24.73819157 22.86735635 9.182156991 9.456032682 20.27350299 6.641977248 9.031791739 235.6195991 8.605398487 7.788579332 216.1400801 7.353518831 53.32732364 153.4921031 338.3456305 16.22937551 34.1852284 5.04797351 6.615456753 8181.620971 5.989399835 46.81492627 13.60499698 85.7202826 134.2150332 11.17453042 104.2126238 285.17813 6.503155665 28.42408058 34.94490275 20.1459966 11.55045981 31.58511146 25.22290511 19.34006625 27.75625208 18.67151182 15.70609643 26.81470393 13.96706118 11.1269709 3.791098952 885.3256967 7.506850093 29.88841267 47.99370194 11.3802762 20.2697533 34.22529444 15.08876631 42.31336003 20.91968137 40.21408596 159.3499248 10.75281276 21.01587281 14.74836867 21.08705377 4.632214798 18.48005161 58.98464463 43.29614194 134.9517128 12.12120287 7.088988628 10.39707595 35.2406731 11.56787846 97.62489075 11.30306922 235.6522193 220.0066158 21.2739966 5.431822363 32.31250929 59.46628203 56.02748147 1165.936792 30.74502537 152.6171566 37.50527347 59.68317059 292.6423405 5.870669178 36.31724391 50.124242 370.6601405 1140.521047 29.43325935 60.5217432 21.51839452 33.91416835 45.45355985 12.77139093 7.136332836 8.302275982 62.89042198 94.54089951 2.926298496 7.56914519 269.7350673 136.5157611 32.78068391 15.33978355 116.785754 187.6608439 49.52430103 14.68699896 33.38604383 35.31625263 707.7701522 299.3364389 38.9686082 484.0574042 394.7006844 860.7446853 45.5617031 19.84850907 18.55614713 1942.038877 35.30114396 14.72614574 30.690502 26.79130813 1353.158029 3127.648107 14.06447517 214.3695793 117.9965024 125.8857482 365.1744368 744.8679774 2.775432731 53.39250694 16.71403484 18.46086468 26.25450254 103.1592357 43.22595982 23.78010055 876.0491791 25.34400831 5.617918445 12.63699158 2068.298709 19.98126806 25.51158662 23.01196131 5121.638459 57.87353553 9.573374181 545.4437605 336.7100482 405.4358119 64.97169759 152.8203329 2567.680025 16.05280987 473.6610375 667.0114652 2384.927494 1.447253125 71.80183878 12.65726066 51.22871836 9.366229115 1119.718669 8138.621401 51.38173773 51.90148735 2538.617553 244.9909499 42.66621516 257.5672198 17.993683 579.5948338 6.660702971 448.368155 4183.228252 9947.680326 57.2405725 1491.460203 527.639284 46.95773269 14262.37369 400.0775878 166.7127461 28.14174104 140.7567934 190.0962057 39.01924259 17.81745032 26.89839429 8.014922637 17.81149986 13296.439 444.3434756 122.6491216 326.7718117 781.5750316 544.6243288 297.3834677 58.31503093 15.08715938 74.23208224 131.0931441 555.3734353 8549.430349 2250.123491 9067.400865 1586.90852 451.8865944 145.307034 1200.518716 33.77097338 10.51665951 94.44875692 62.08320684 504.7352394 3012.111285 1102.747514 93.3300834 97.84632618 4927.767016 10.85100136 4.387143965 14021.76072 1320.75325 13.03866371 17.72082308 14.29406815 10507.501 27.05447279 198.3253828 285.1899932 187.9038702 2265.503993 11.31891958 2138.202584 342.4704934 7686.065891 2750.175959 isoCA 3.28796455 1.039191402 0.678315484 48.7874238 7.982612215 0.520671771 1.654881201 1.333029072 25.81327642 13.86853702 N/A 4.590035373 4.314219351 16.52397542 7.038487286 1.413792327 4.906688384 5.757505919 4.169469275 2.123461982 4.476409374 1.018337949 N/A 0.328227795 5.693050462 29.38969928 N/A N/A N/A 2.437657659 118.7213033 12.01306484 N/A N/A N/A N/A 0.936165339 0.577318372 7.209645131 9.284256454 2.174508934 235.1418886 2.741852682 0.876666403 1.545010664 N/A N/A N/A 2.729044801 N/A N/A 0.930819232 10.68712545 N/A N/A N/A 570.0704906 0.935096158 97.51971982 32.73788305 49.40417894 3.393160281 N/A 0.760552503 N/A 34.16170825 N/A 21.9206336 N/A 69.80155926 44.49800129 N/A N/A 10.62613473 6.608230545 N/A N/A 21.57994128 4.166237198 2.513978591 N/A N/A 9.09299346 N/A 20.97288675 N/A N/A 2.439261882 58.35228816 N/A 2.16191879 32.02993727 N/A 1.761586105 12.13406447 9.379687916 8.37316031 117.0314804 39.22764892 29.59614256 1.651582012 N/A N/A 462.4972673 156.2733088 6.16300839 66.21579231 5.385857359 23.81876809 N/A N/A 106.4108376 N/A 42.17986408 1.781207484 2.545392599 N/A 3.374527416 1.49427838 N/A 94.01634407 N/A 3.496314579 6.772771766 8.408988562 15.43970577 N/A 25.93958272 N/A 400.8483476 N/A 58.28387827 15.09093826 4.500021654 N/A 34.94481808 2.788251856 4.137698206 4.419954387 N/A 2.689195844 6.483597119 65.10270431 12.57286476 7.220590248 99.59864947 N/A 22.55746052 N/A N/A 7.183532208 61.67795536 6.906627904 22.44484228 127.4150322 42.22189893 44.57839914 N/A N/A 53.76534892 271.0289207 3.196700789 60.84081689 7.691595763 89.17337637 48.04833901 2.054732433 15.91384707 N/A 0.722062236 13.15345006 59.3148053 97.42343249 1.022032215 32.33637733 0.513481246 0.930198577 1.861882366 1.005400348 0.767779349 9.799185969 48.51688405 5.009059579 N/A 1.200489212 28.7362991 2.376256425 0.405895579 N/A 5.719178033 7.371005895 23.15474938 21.38522001 2.760653285 0.718003806 53.41991011 8.210350488 1.335054967 3.529984295 13.26979212 131.7523103 4.376869993 N/A 1.027568044 244.7628333 1.717028608 N/A 40.93952894 N/A 67.09974513 153.5638455 N/A 4.368721451 125.8422531 6.221468476 140.4103809 125.6853865 N/A 62.8148866 N/A N/A N/A 4.536749917 31.52660428 N/A 128.4101042 N/A N/A N/A 172.3990368 1.521372052 N/A N/A 496.1497872 2.428309359 N/A 69.85194117 2.708533696 123.5038678 24.51659346 20.94413296 29.62916339 23.75303104 139.5036467 26.78477007 245.2986232 N/A 10.70462488 N/A N/A 8.218762261 78.18784226 748.8854495 24.81123565 5.041434593 122.6522808 56.47107187 3.57180577 5.519646236 97.07869231 16.23344387 N/A 10.91367651 342.4391491 871.4813063 44.32919796 162.9475855 40.2657762 30.20673788 1097.260095 74.53244852 37.38275731 9.853592495 34.40761673 23.67231441 7.372258035 2.233387835 6.228575898 N/A 0.697089959 915.053941 62.24696718 110.2127662 110.9192524 103.6457216 110.9252083 57.35953598 N/A 18.36756635 1.348669836 39.88625826 85.8291307 315.2597191 108.4796404 582.6420465 73.05878947 88.83154287 4.946828669 93.32920958 34.39473546 N/A 15.46107568 67.24940019 40.52988164 267.463588 115.5633128 98.71434727 20.39896673 356.7608548 388.6882393 16.01709649 716.0156002 151.2242954 0.706415912 0.915478765 38.77638186 837.2942123 17.3319927 19.59298857 26.79225416 93.64515727 289.5532884 1.198771633 72.55464024 37.38067016 529.641576 88.88850937 TLCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5.653312315 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 8.559590133 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3.889550227 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Δ5-3b-ol 7.605452202 9.469488758 1.882854884 7.286462214 8.977409371 3.686122413 8.684022854 8.908441519 1.639786554 5.119206568 6.825144225 6.95979764 15.01095547 11.4305173 5.850403154 19.9400371 3.562628463 36.17157251 7.484848009 5.434344086 15.46176183 6.027316496 5.76792158 0.864405233 16.0235426 8.031117031 2.439922801 3.040939013 5.856044667 2.147078346 28.32336628 13.71277807 3.42839125 3.010708792 5.073507263 12.96097563 2.92306116 1.228161655 3.082302484 0.630161672 3.195988042 5.046211493 8.547852009 2.381464399 6.404265124 9.039811825 4.572468933 2.094999536 3.574329188 7.580652335 5.347480011 3.134027067 10.30946183 6.078391667 6.910278323 1.646680132 5.914593528 6.941991049 9.104950432 1.126512281 1.583423656 6.066481834 18.78876165 2.884830178 1.399537376 13.07062866 11.92808435 N/A 8.96641485 2.132436052 3.897647573 2.933415264 0.857788705 3.961534586 6.00318592 4.51432959 1.513671462 1.69200725 6.409201152 5.747760201 3.13312395 2.749917429 2.400872063 7.139908002 1.809309951 5.950423777 13.22045628 4.505711409 6.579929197 13.05794348 5.887860011 18.54549293 7.915661554 2.68824581 1.235223043 0.828286828 8.217553072 2.782509649 11.21499519 0.994888822 5.724146998 1.110392877 3.195896502 5.308756793 5.359397821 2.601743201 5.024952826 7.845795334 3.140925854 2.957856437 1.966761966 17.78345068 3.154848605 9.381690422 2.791194238 9.043150407 29.77412999 8.662779581 11.11793018 2.325856745 2.165726733 1.618299645 4.482063842 3.230897275 3.251655775 3.660848118 4.339036638 7.973020844 2.994406736 8.562645255 1.211766674 2.027885495 6.261197217 1.615828981 15.35886947 3.178918297 3.058977999 2.153558779 13.11260635 9.709607131 3.887106577 5.151995959 1.682967192 3.647444879 2.072289021 2.341969981 11.36396678 5.457724275 4.66517173 3.534663107 0.584666191 1.002781207 0.635706767 7.581895494 2.395786245 2.73760563 3.663802645 2.310651601 2.382265702 3.502387637 3.856306853 1.240251601 11.32877831 1.017859171 5.600653609 0.76094941 0.838324032 5.037936652 3.820417174 2.086844295 2.59316414 6.334239029 4.697394843 2.641438757 13.76889541 5.946600791 1.75698827 3.728660065 2.49432877 3.809591607 0.55674442 5.351715687 N/A 3.502645986 1.096638426 4.731118038 2.325134848 5.618006512 1.915024605 1.328177554 2.489809999 0.678824113 1.876908922 5.021954662 1.391143709 10.30345421 5.899765668 2.459586222 1.746804366 2.568963994 10.51952115 3.731428085 5.211908061 2.786173202 11.58668728 2.580460302 5.51088131 3.942195915 5.334055345 4.849903888 8.574567227 1.246591643 8.198296726 2.268388338 5.347759648 9.324235687 2.53678933 1.138670231 3.990303553 1.895117516 3.895214463 1.208104294 2.087405724 4.374458629 1.243186852 5.967135753 5.797962116 1.451285251 3.350490407 4.37421814 4.121244832 2.37938899 20.76886768 0.323704649 2.5569078 3.462102434 1.026942742 4.301031144 0.675512067 1.90409128 5.21485673 2.371293111 2.332750994 N/A 2.50884862 1.778544251 0.465784602 1.988898377 1.092790288 7.905294255 4.592269606 8.858664826 2.821563745 N/A 1.568076615 14.44268545 1.357591321 1.958160147 5.779194359 0.555298937 5.219851582 2.298948859 5.724466199 6.342340061 13.50262146 N/A 9.196868317 13.61167328 21.53676095 11.7549513 1.706490425 1.557060172 N/A N/A N/A 1.643732462 4.598811227 24.20501031 3.296253478 5.238929611 15.63685602 23.01873059 29.22416958 N/A 21.34763403 4.468810959 7.713603542 2.986067359 1.21125268 9.170624796 2.41191615 20.0902061 5.871053358 9.216470051 31.34114031 4.472499477 2.782885199 6.391978861 24.85919283 N/A 2.351861587 9.486786916 15.42294955 2.668998833 19.46884367 7.972076357 8.348841535 4.14038473 4.299719857 3.06672154 N/A 5.450823987 7.956375703 N/A N/A N/A 9.012281748 N/A 1.411757169 1.534364436 N/A 6.501496374 1.257593552 1.943478082 1.853334696 4.598232337 2.359024691 isoalloLCA 3.4936273 33.89991609 27.82935345 23.76502598 26.63168034 76.53838521 60.82550647 414.2662155 16.20345548 129.1180296 83.79623815 111.6734616 673.3179183 91.57567091 32.22769809 346.4558568 32.69795043 419.5983695 7.705098296 66.73547721 183.9260312 140.1263545 511.8144426 6.615173488 90.66859697 33.9831744 124.7182605 268.5066175 308.0971181 20.12289808 2.634002066 127.3028534 86.16753442 227.858839 321.9367146 248.8715997 58.99220702 16.7961911 125.9983712 2.826269161 60.62974733 9.309748284 152.6148659 76.30892283 353.8883724 773.9054429 206.863001 24.98883426 71.65862979 196.0805405 192.1905001 68.54823066 192.0475351 436.6982053 244.4714126 6.200219594 2.93258471 144.5793018 23.06659455 23.455894 6.269112724 47.24717696 453.4719565 124.1273412 77.42394124 19.21640689 574.4065989 1.100118363 153.1112584 6.882748042 36.14522063 138.3412388 7.288865183 27.44103095 59.9237272 152.3065628 137.6697472 35.71900807 243.8284895 125.3899165 96.89122891 241.0128984 52.68793159 215.2752436 15.90315911 49.6019284 480.9379324 356.1178525 7.958468916 534.6857239 162.9537345 311.9328722 562.2963178 111.9319166 49.99883373 8.142806994 167.3654604 16.23533028 14.74283224 4.115337645 4.423583404 34.05160723 560.431101 1.614982279 53.90715321 60.95382827 46.32012436 559.1065614 46.97448074 110.3278286 92.77004319 51.90998223 355.2032571 0.817859536 72.72831261 148.1952792 200.6869824 199.2830019 29.19246566 96.65852439 4.221601204 26.05258846 304.4558878 5.464564229 9.904566063 38.54600017 197.7651623 121.6395987 53.5510162 19.45963807 19.47431871 5.917192834 7.925874249 17.62591742 209.3470253 11.1755965 76.52675009 85.67144305 167.2646689 171.9272906 72.4068966 24.52662121 3.581016212 8.620799395 16.51897873 1.222220592 243.4555081 140.497203 147.4813643 89.45646836 3.689487638 13.01055495 17.82407437 0.228715433 14.29930378 8.287698833 3.944434186 83.73897032 20.94976447 1.125200597 3.403193133 17.72455926 4.922334782 4.445033777 2.596070013 25.36327303 20.2862503 53.67330645 73.82831698 115.3642328 12.36711933 1.16405106 0.027930438 35.9583978 8.876308678 71.56023359 28.36816244 147.427076 47.04483059 89.54546806 4.679360054 28.2618022 20.23810674 32.75852365 35.25454866 28.77089471 68.83923792 97.01130609 28.76404533 36.68326453 42.6208477 8.724764757 49.89569015 221.1732045 15.62841013 34.56966578 73.43425192 10.52769506 11.49202414 4.262504356 0.418770154 174.2434545 112.0581022 24.16356604 0.424042304 35.57962941 62.77867772 7.034807059 60.93498423 1.996158469 0.232060056 19.75621527 201.3605657 4.860393125 67.58268066 0.780358157 2.61062346 17.97051212 5.231451937 45.42945705 252.2425784 9.752623711 41.04088588 1.855677677 18.49232001 12.30789813 116.6473862 30.79295567 62.73887452 1.885167463 104.957926 121.3887732 396.3685376 0.818655644 97.61696362 188.2048747 3.243609835 47.82673983 4.67412359 4.180913 13.43724464 14.24313532 3.653291598 2.237479416 28.60316014 0.103722228 4.113336608 32.78204547 44.4405378 68.46426709 13.85600184 < 0 1.041774296 10.42325302 35.5902673 0.673262201 10.05999804 18.47641583 96.32536401 10.68397703 23.99508531 108.8474754 22.45969094 0.258200724 0.592974797 3.126632746 1.104687579 39.28019151 1.391766286 0.221315835 0.122982439 9.989313014 24.48976343 10.02200266 6.662645125 26.7244087 32.70873006 5.020211655 17.17791789 270.1897122 0.255613576 7.064124032 1.8616475 1.990067923 0.494216937 3.229517588 0.292189536 6.013489864 5.147146449 139.0591963 2.141464041 < 0 < 0 1.250402859 0.99330187 < 0 0.448943756 80.55327819 0.742258153 8.187066169 21.43931424 1.358543076 2.562448656 0.242467729 0.524568701 0.957690904 4.533867422 6.806927338 < 0 18.49354517 32.28786079 0.069231526 2.129547652 4.897794313 20.73656963 98.6576357 0.499225479 8.208664173 7.924706136 31.5774055 5.572122786 0.711300445 24.30659777 35.01974018 9.254544433 < 0 6.106695659 isoLCA 60.36220319 1196.879647 577.9596002 287.1577225 944.8811916 296.9617017 783.9425886 811.1769211 279.7744452 786.8625075 411.5512302 1181.294114 577.9554453 1014.658139 770.1654331 1621.340243 1407.752645 877.8923866 418.6821868 327.9326549 785.8811096 713.7509977 1273.264159 72.82082492 895.463124 1464.410235 626.1268098 357.6019436 925.7634786 629.0433296 43.77326649 748.1220932 406.9824876 870.2202012 751.5236236 2521.174298 507.18677 399.1502639 749.4499611 125.2533339 555.9718825 336.9184817 301.7378771 703.898089 613.3733083 1874.629264 925.0795622 116.290138 445.8487258 2254.85483 908.1068593 1786.295525 1256.977569 1078.784884 549.7462006 150.6110507 15.52710871 1338.445063 1018.677733 159.7956266 194.3902638 642.0552723 1803.223264 1390.747174 535.449649 548.9093783 1323.273272 1.60032029 447.2366217 549.0147692 991.2872699 294.1170631 53.94707138 784.0699971 1620.083996 469.7610681 316.2392912 427.4297707 561.8902693 723.4110351 678.6007535 612.2366135 1176.792214 794.974846 887.5635753 418.6937795 489.3693396 1433.869788 460.622208 1484.39641 1063.817613 898.4782508 1432.080232 493.4768569 1229.127813 223.2247727 1381.473983 1010.125888 405.2722514 492.257107 238.3410682 136.338047 543.129677 3.844982707 1326.130731 787.190854 502.8404616 1337.473054 897.1304393 410.9455057 1456.976229 512.5212269 959.2303122 58.36830359 1111.854489 1247.485488 647.9799462 538.2623917 721.5258575 443.0552292 167.6730631 202.8478549 579.8928335 209.7494584 731.9196223 1119.101851 1116.829687 898.3564947 756.8276348 2424.493084 359.3783988 130.2204141 336.1614515 351.5557784 288.0891967 264.6494022 404.9623534 864.1842306 554.7164522 298.7870236 2123.223021 875.2809705 97.76538357 260.1315412 366.2624102 38.91716229 1485.858976 760.4317034 366.0189262 942.4096416 439.4980154 245.4542282 396.9475 40.9614758 605.7651467 245.1894932 659.9284613 538.8738464 242.1844759 214.8520019 820.3698176 328.2890281 277.7502501 92.40936937 293.3412494 226.5829102 245.106565 800.5704303 795.4518133 315.4625796 473.5213989 138.5521567 0.25446818 1182.031353 266.0331731 623.5267954 413.1137934 1040.958722 522.3253165 499.4552916 53.83516095 975.5960471 215.8542135 458.8883922 279.5914893 684.9104613 276.6587203 1468.92663 215.0043754 133.678167 1133.275105 150.6164723 658.5180892 1291.822732 210.2798661 646.1630238 400.7642747 327.8134138 315.2549034 125.905633 3.70056219 576.2399089 995.9326071 452.9823624 1.3461729 506.2716478 501.612806 146.1038405 831.2226071 77.30049526 1.018293849 513.1806519 837.2196146 540.3337069 1837.004446 315.5564458 203.3387147 245.5730296 1106.838822 385.7614632 718.524802 138.3254309 306.8899757 336.4960923 217.7049619 423.4929933 839.368458 710.4705691 366.2984676 80.11637362 411.9565138 475.6793382 3905.684807 3.049772467 1262.420859 467.2818865 393.4744102 723.4137896 257.8864472 341.6938686 346.5884525 341.0574569 158.4893148 750.7951997 819.1061809 0.567081775 24.12541372 238.8347335 421.7211646 986.1352188 228.6024685 22.58405062 40.14417543 276.3921952 175.547413 0.028259856 241.8487755 211.7083618 1245.961065 396.2727932 330.8542565 316.072464 256.9376485 4.718219518 1.211961281 776.9941864 248.2187632 459.7499414 162.036093 15.58447477 2.734225501 425.3405629 951.3587717 307.1665603 310.7546868 237.8361215 215.2830598 1102.271658 341.1722685 532.0292913 4.118313292 404.9314467 203.5691736 216.5100828 95.94968476 162.8407277 214.8042619 1041.8366 236.8022522 1370.001137 204.7657637 143.8819625 2.030729072 115.8922392 2.955772504 3.123588622 245.64899 926.369618 112.2744188 420.0718954 265.672603 227.6429093 977.2674467 241.3462146 2.383522454 314.6644627 148.9391506 337.211054 2.907341362 530.2602558 212.4447382 0.568497999 171.4608948 192.5379857 238.2144352 1003.687715 1.746554325 472.0449134 178.8420978 298.5814877 834.7774412 38.17525296 287.43577 1021.234175 343.6110199 0.437397935 147.0426335 LCA 986.355063 5370.489068 4384.235375 1774.342706 7060.201386 1743.811323 7779.416404 5182.100854 1670.246486 3533.331419 2543.60313 7996.270035 7106.257221 8721.994944 5127.6916 11918.33746 9903.135459 5922.740613 3130.064908 2319.696848 9934.711806 3826.533315 7875.127053 639.8969223 6074.450384 8270.226289 4868.72278 1889.939539 7069.015534 4048.319983 637.3261346 4367.686526 2128.556157 5227.999177 2948.307924 9696.4025 3813.152265 3032.93129 5236.868735 1132.811063 1156.460803 3357.535805 1792.425771 2161.937335 2599.121762 9747.418219 3882.767833 984.8528722 4256.426747 9402.87105 7070.458738 6751.046099 7387.53164 4410.556066 10635.68888 1019.958922 287.5158669 5342.532861 7003.151137 1467.409822 1758.217191 3992.119887 11732.79812 5701.435451 2309.501493 4078.767359 15993.84816 13.06812054 2823.620056 3535.124977 8535.63746 1898.367778 292.0802085 10374.15981 6322.658441 2471.798693 1910.548964 3520.502687 5993.945587 3297.208348 4314.144064 3021.055049 7705.184031 4679.867785 6320.168891 2901.829091 3804.294258 9047.758361 5634.987002 7468.420867 7096.647253 6004.145551 8529.882315 2679.029796 9672.375051 2410.061705 7593.135437 7353.733173 4229.366861 4330.764425 1788.657912 1199.064695 3171.508993 57.27998548 6908.712891 4696.209057 3912.172091 8172.321515 5169.144296 2480.666486 6374.037908 3798.929474 5749.054541 847.5991882 4755.726499 6525.421647 6840.255561 4100.975675 5790.568289 2359.086705 1112.036237 1434.067035 4691.424688 1941.083428 4954.771402 7038.969526 5620.288587 5478.696397 4241.688006 12283.25264 2070.943074 617.4916212 2362.837001 3779.660832 1829.948143 1905.45215 2547.184957 4773.322268 8820.299074 1756.012172 11383.03178 6220.561973 806.962801 2654.885985 3003.948724 264.9766181 6488.330384 4661.994614 4594.573389 4663.082769 2643.718308 1505.876459 3169.412322 642.8893755 7403.91481 2090.673085 6224.182862 5115.09617 1193.885125 1750.32675 9576.595817 2943.057733 4999.841749 1075.793257 2248.97357 2548.57268 1786.968723 6199.836496 3300.767606 2498.795551 4545.049811 2607.424149 3.438412974 7160.57771 1891.106217 3879.824455 3004.136512 6489.910542 2985.431548 5112.418853 417.1755171 3465.460263 4079.677567 3683.830633 1948.236832 6282.863132 1416.12163 4617.362175 1616.245931 1618.159921 7073.715092 1241.232985 3928.334669 4985.355686 2243.778476 6678.455205 3695.523179 2408.210747 2402.200581 1749.207595 36.51371901 4233.595555 6998.144078 1919.375633 5.394658356 4403.665734 3358.962184 1450.461741 4104.911895 928.5378327 32.94824259 4113.719322 6873.826975 11684.49323 13492.46001 7253.76311 8154.065706 1572.644823 13724.73824 1914.249983 3047.443273 1303.203976 2398.426831 2436.052957 2184.688569 4234.834064 4962.949988 3632.264677 2802.051438 1431.453163 2265.278698 2887.078672 15198.13649 30.53469774 9326.156303 2776.190901 4372.125642 5149.672185 2133.889829 3458.944273 3308.88329 3062.223545 1848.902805 5356.457663 9460.005723 3.80746596 159.6575843 1982.286597 3185.446641 6992.267019 1840.938084 737.5264915 360.1771859 2154.176702 1729.176669 3.763037943 2853.404654 1886.289621 7260.683209 2832.674744 3120.950524 1821.57447 2935.060044 19.37082232 6.166871808 7529.551905 2035.843929 4313.728591 3136.270366 183.6259647 7.298219882 3907.258828 6538.712924 2534.715164 3978.960046 1836.179645 2426.501736 7236.713712 3070.394222 3212.864949 30.50277745 2906.053992 2253.186192 2035.409826 1408.315468 1725.793537 2264.338554 7391.297972 1752.168182 11492.022 1888.06648 3558.944474 9.769204751 1298.174978 14.05864626 48.77448593 3583.045198 6908.806666 3029.382282 4068.227937 1858.3423 1818.723555 11862.31847 2007.984063 14.64543283 2908.674364 1270.064069 3234.270577 45.15863743 4344.651977 1489.174724 1.163798662 1966.243411 1225.70309 1805.741257 7018.104895 9.548015563 4829.471185 1804.290019 1834.465311 6945.944483 811.006782 2341.872037 10240.54008 2568.076434 3.377165235 1495.004991 alloLCA 12.20008604 56.95325331 8.991362071 23.39196432 71.38023557 32.59257911 87.75433222 109.5403668 19.8433868 46.05433797 39.06014708 84.69878529 230.6739633 95.56988681 50.97259722 177.1541248 83.21950581 126.2547428 25.87814879 30.94024859 113.7791897 59.55517764 145.4218415 7.206546321 62.24794404 58.89034224 58.92893846 81.83704128 122.7938463 38.34989621 2.969864238 55.82480134 32.19898341 87.04819515 74.5419922 124.1064588 46.65115032 25.15772382 68.85419576 11.10924602 16.33240384 29.94503109 49.72878049 32.9024606 72.18239446 291.511901 67.82015053 13.39251323 62.56135546 112.8346382 121.3518787 81.85795391 115.8429347 99.07788187 177.6201689 14.69329128 4.866721155 66.21382372 83.3196956 25.18483869 29.22647999 51.7417778 247.4138922 79.02016262 39.94503939 30.00966739 373.7246881 0.294643945 56.07190137 16.30521709 89.32139565 38.8679452 2.140887766 51.72018657 53.43824823 41.8840047 35.98134603 33.00615602 160.623748 63.33717071 60.57332284 83.41335436 40.76075457 66.17090487 37.82205343 22.54538731 114.0042684 181.0563663 31.64838297 183.8916783 71.1620063 101.8841944 174.4806623 46.06466889 73.32099786 9.359700302 78.84578192 35.9499857 19.69895174 35.86429105 19.71211606 10.41561852 139.2148942 N/A 48.03063898 33.46026368 27.79271387 192.6442644 30.61771281 42.17055183 43.39731 32.40727954 104.7009646 1.839364111 30.20137637 47.05525278 80.48922472 92.39714952 25.31884898 18.72271395 3.706647805 9.125894847 108.3169336 8.452035071 20.95605699 28.6706931 65.40898696 41.89796187 61.89358352 138.2339922 26.80859846 8.024257462 26.87904112 41.40756288 62.49710276 23.25304806 38.90195338 60.30660872 115.5470231 38.38023688 140.9428688 63.20967149 7.298274587 18.77034311 30.74499385 N/A 97.38327934 69.37251827 90.95733729 61.81408086 26.5817007 21.48576939 39.23251811 4.650112799 N/A N/A 0.285873713 85.2708206 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 118.0957756 88.03464171 N/A N/A 0.519859489 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.059084386 N/A N/A 5.564112036 17.85915863 5.306256094 0.387304549 16.01087255 51.95878801 51.78446915 15517.97885 21.58931874 46.02529946 13.40247116 82.67008824 7.756559656 26.68966628 5.470139878 8.831513491 14.46147883 5.741256151 10.97464167 21.28851325 18.85323486 11.92258142 5.875557461 14.94833736 21.66596056 68.43360804 21.57148848 29.51848596 29.76710289 12.3779401 17.73040493 7.365136258 23.95781652 8.125997412 N/A 9.364140408 11.86044248 N/A 0.548080122 N/A N/A N/A 32.21492087 10.07871041 1.142633463 3.156976558 8.74335152 1.487476144 0.876802208 14.00470137 3.841880527 27.96812267 9.343024015 9.784682753 N/A N/A N/A 0.959486088 N/A N/A N/A N/A N/A 3.482694832 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.523898625 N/A N/A N/A 46.60789491 14.07372802 11.6244409 N/A N/A 0.51693357 N/A N/A N/A 5.167143159 26.90461447 N/A 4.027078294 27.95920386 N/A 4.379112875 0.969034848 3.725046218 N/A 1.77214858 N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.510668813 21.19677397 18.20225788 6.033392596 N/A N/A 11.44538709 2.045513996 N/A 3-oxoCDCA 1.421676429 13.0077205 5.964674486 2.616591662 9.125128585 0.781914693 6.120500318 10.47634054 4.162942071 N/A 1.021584176 10.20093947 8.32887479 6.936409392 6.278326326 10.44538807 26.45161139 13.9551805 N/A 12.2259772 9.193812599 14.4744919 10.51947661 3.740202428 5.552106124 10.9840311 9.102026938 3.989059013 6.605866591 5.619857968 13.28157199 16.30031364 4.301464945 9.542724936 13.17252705 5.762937395 7.984532612 4.204332258 4.624945653 2.218761555 2.222046737 28.53682805 3.054177935 4.13815793 12.56311609 71.57235081 14.21052865 4.870325703 8.173326217 9.585644157 4.331633696 15.05792038 45.22672339 7.536579961 11.50067473 5.806388398 66.02033394 4.015831734 13.05202805 0.480276591 7.694038125 1.677788171 21.26303582 0.90367707 10.68368237 2.036247945 4.542271756 N/A 6.538563419 7.517625912 26.88700716 9.779450732 1.90507403 11.69493911 6.06622196 7.58876917 9.976766144 14.84397385 4.169223798 18.19496015 12.5931545 6.37064219 10.30535899 N/A 9.088973847 6.982247058 2.651691015 N/A 5.371862221 18.4338289 12.49892619 25.97247003 20.81779414 5.818750531 7.698954825 7.677536282 15.53819041 15.7016104 36.25431889 2.13954255 1.896508009 2.784288254 12.78933816 10.56072669 5.417760358 13.51387448 2.951753276 30.94905974 1068.460278 369.5774026 26.50538149 31.30569183 14.26796766 3.12146564 7.544535098 7.594176268 11.10172858 15.08417444 6.249229321 3.885921006 6.943789483 8.370553271 13.10741428 3.629124057 129.6223589 7.078779624 13.05107834 7.270449516 1.416825344 7.36486858 4.385562929 4.158719307 5.263134359 6.598737157 9.209135256 4.725595067 4.979360958 6.193364542 13.21002523 20.97154051 6.417994277 18.57019473 4.765848469 2.455863103 7.694406391 19.2946361 N/A 8.819526244 3.493092988 2.882133429 4.161950727 4.732000063 2.288118682 2.691472775 4.90207927 4.293824064 5.305841035 2.438886695 N/A 11.37816364 4.933853549 5.343369483 8.792071053 2.110539696 7.46416043 2.067883679 6.004453543 5.432996789 1.87298364 3.782696765 4.534359686 6.609470067 5.280700339 6.353380944 N/A 4.775075764 3.778223795 4.440935891 0.357889303 2.303921254 0.48729408 2.122890499 5.966574035 2.412166545 3.833884571 5.981731917 20.50981712 5.405844907 4.093888325 10.46085695 10.42174031 2.674153135 3.679955151 1.725951044 1.926083246 9.175350094 16.41030591 6.651564776 11.0038459 3.201595506 16.05269178 5.430328529 3.915983873 6.30868304 21.5797963 4.37508774 N/A 3.710430115 5.011818267 28.9394191 16.68631013 4.397555721 10.57959265 8.105264813 8.597250737 10.31112916 17.32709999 2.685425844 7.081164135 4.329211464 14.83280587 8.378158899 7.514728463 3.648662225 8.255737768 18.69326779 7.602467911 7.319775307 9.212960242 15.32069165 5.997308566 7.450934714 10.81742658 4.000846789 8.097622904 N/A 5.323359184 13.40796081 11.0602683 132.6288131 9.27716356 20.99065716 1.482620429 20.87084365 14.06731431 49.4925933 0.788932285 13.90008988 2.795728869 22.01197532 N/A 13.12299943 68.29489837 N/A N/A 153.8146224 14.21099395 6.761857278 11.97812893 2.798930463 14.95532069 5.685610632 8.714226322 57.08446313 29.80354803 8.922392607 25.99586635 33.64687308 5.55269848 44.36872073 13.87799782 7.679666476 16.99011271 2.205286701 8.532953166 19.04419352 8.360336224 6.001826774 N/A 10.23372085 49.97859631 16.09257462 24.77647471 13.63175252 24.26546466 29.5356808 14.36884564 8.393428804 4.48205076 17.77131086 14.33441153 25.15460005 45.93185174 47.75613684 15.62069374 5.797964615 28.56854352 9.654744385 8.172272674 4.050828175 3.663522479 2.61711939 5.805046589 14.93949218 20.94338032 39.73009506 5.070798448 5.217319264 27.87539477 6.923663597 1.313842896 11.37830906 26.21687012 1.074113693 2.639193204 N/A 76.23471413 5.978937382 5.176409373 5.669129056 13.96801735 9.287734377 5.971083937 72.5729031 10.67510022 60.78742778 68.97834537 isoDCA 71.10752635 363.033991 234.2606251 33.89602763 458.7464499 77.39008541 452.3876369 115.8264831 122.1724066 350.1221456 27.32460724 1124.742451 867.0490698 766.6484265 359.2290432 566.6297812 573.1636013 165.01914 211.6994433 124.7180028 633.4649367 410.1432272 95.8156225 15.05086061 284.3438805 1089.519889 541.937818 36.18350514 184.7495451 381.6790508 47.50938482 239.3994223 197.3874922 145.5803685 248.7678795 589.1534074 313.2978628 96.17546665 184.5690422 46.35260204 431.2063873 593.8028043 110.9645699 529.4430539 243.1970167 986.0153357 399.6409791 52.43260684 499.9840581 392.7790383 200.2795661 726.7563744 323.0420315 299.5790047 459.5823919 67.05578436 116.057115 414.2770272 744.7649941 25.55561955 146.6072214 181.0667935 554.8068431 295.0061439 162.9375024 91.11196559 339.2923555 3.202461398 273.2738338 454.217369 248.3637653 85.58000717 18.71689136 880.1343869 571.3412578 194.9633821 100.5958545 364.9855766 117.0316688 298.785987 182.6957 91.97866338 563.6106769 126.2550172 588.1593188 155.4985985 49.38484839 547.437418 146.7695007 133.5055281 431.1227831 992.6320401 310.0164503 117.0674103 712.3163097 195.8944063 897.9174723 567.7838135 435.5225109 283.9871495 40.39021366 17.99096054 290.9966955 32.86214996 570.7509987 623.1401178 365.3159213 590.5760507 360.3807868 198.3155704 643.7671217 205.4994715 364.6802714 25.68934665 385.194653 627.7618882 306.7296088 371.6820349 358.04496 121.4420077 322.8732162 174.6217888 287.7520411 179.6560327 118.4126615 469.2806651 356.9152697 657.0692009 154.9086882 439.4530848 187.3488326 28.33379036 68.54159501 593.2695557 111.741801 133.9974505 123.0690287 982.6527931 584.6813723 66.64869038 897.7863887 306.0303206 63.04103492 23.2833306 266.8569904 18.08419529 408.0990971 153.6784871 261.1435669 312.7454065 269.8617896 294.5589195 157.0574975 142.3592087 167.3956228 158.0299622 1096.238652 134.8661993 40.37251852 186.6229562 833.8084412 226.4794623 630.6916965 73.4167977 327.7466832 30.27138469 70.13280337 212.8125048 334.1033309 53.07794799 197.1053214 329.4072838 1.546685572 683.2830638 95.99405543 521.0377054 244.1676487 277.3177084 241.9655169 266.678307 19.78478802 437.1478001 898.7413278 352.1158172 81.06890489 500.4333418 150.8414076 467.041809 139.8271682 94.33560183 984.5567348 63.24327067 321.9309309 213.2228756 108.6624701 906.8782624 322.3008523 189.3636089 146.705788 195.4345331 9.387435866 567.0504789 272.6400162 205.4685859 N/A 497.2714065 197.2476144 103.9071891 402.7060707 71.60806205 14.02993532 247.7363131 395.9420792 1651.405537 838.2365933 923.2865221 510.3799159 130.3482258 1023.181344 138.418998 165.256242 38.81191291 207.8537749 245.2635196 133.0953307 649.8527604 481.6995168 343.1563006 199.8589207 366.7339626 43.77238268 230.5778538 2417.0659 N/A 937.154382 146.5856767 270.1739652 460.040392 206.1145181 282.9914943 775.3287247 677.9550664 23.5715939 442.2384937 1119.658408 N/A 4.801639163 117.0324374 155.9176091 337.7669864 98.5580596 179.1061641 220.5724483 194.0975335 132.1572243 N/A 239.8426577 105.0445834 951.4517338 133.877123 148.3480046 157.1009133 357.3002642 0.538345183 0.192989768 546.3889504 176.6125737 424.2994923 426.9931953 102.9379674 N/A 502.6516378 664.4419716 186.9612906 918.3000493 200.769102 209.1162392 520.5305414 231.8356285 285.5234997 90.8722309 524.412904 246.1186034 615.7007945 231.5578054 205.6788377 219.012323 780.4291542 167.8624621 1436.355372 127.4479084 365.0395098 6.561047455 245.8762302 7.274133727 20.67514288 334.2601536 330.6547925 378.4984058 382.5559255 164.6161743 86.02355069 1596.972062 220.8399163 0.140366841 580.4760857 375.8968886 451.7715879 26.82668467 141.0477427 62.14878806 0.134657073 235.0689112 97.83606388 205.9034985 580.622709 0.272132155 393.7763507 240.1531021 163.6469975 932.6550425 217.2274652 152.4055174 749.3824898 154.4903286 N/A 177.0594479 isoCDCA 8.873545858 47.93757023 30.0258708 6.350958574 57.09500772 8.327129679 46.74123348 14.74284857 12.26605627 40.85998413 5.286300334 115.8154726 101.3834227 106.3275975 44.55329741 67.82028107 79.98926643 29.36598617 25.51840235 22.46141494 67.10393381 46.31780676 11.46975028 2.360493259 28.60251498 113.9143959 55.40862757 6.620140439 20.2490659 44.56893314 7.365206956 35.55278571 23.41497577 16.70174188 26.49553575 63.39150178 36.78869981 10.3385617 22.30110298 5.542998828 44.28534035 409.3947202 13.28179389 65.32840851 26.77431325 116.2059491 44.10674061 5.897508762 51.139229 89.04881097 33.74305824 86.98960702 50.04958072 35.87980053 49.93279348 7.599986733 191.5392355 49.80707783 74.40171819 5.14118717 14.15614578 22.87817125 62.33366944 33.65395274 21.4054328 14.14966685 53.36142998 N/A 40.65652935 64.39905173 117.6711387 14.33720873 2.444964368 102.0478321 60.9284843 22.89692929 14.4191327 65.61620277 20.26626688 37.70489011 22.79057097 11.41068687 63.42513611 17.43390422 79.49094282 18.75223146 6.663130342 65.04213902 22.02575653 18.98198442 47.18315817 139.3050552 37.68176676 15.65276275 84.5757067 22.21230654 100.8297478 63.74341472 56.72464736 29.94013443 7.45806712 4.921225358 33.72513495 204.8980823 62.19708255 73.21205541 47.65276765 72.37462108 45.70262703 22.4402429 82.86847828 39.19498349 40.44253456 11.33218297 43.66627153 68.70175817 35.18771698 46.97144424 41.62333434 16.50701071 38.6813013 26.5497668 39.05993436 20.12517349 13.22312219 50.67995494 43.10818579 67.47118741 18.23247246 51.62533625 23.98764632 3.943120078 16.74155658 71.03067069 12.86984446 21.68648689 13.76597826 110.7553806 77.33180795 7.487939036 103.6498813 44.43107928 24.31999344 6.248262732 43.11133606 5.689936202 46.98615446 28.14079401 28.95208418 35.06822366 31.12833292 34.74609267 19.74899973 27.1662352 21.08360911 59.08978963 142.3114746 14.25690327 7.034406376 25.64907019 88.60760106 46.33839218 87.92169197 27.29109892 45.70902677 15.63983573 14.62806201 38.99448187 32.66908193 11.41213328 37.65061858 103.600073 26.7357044 68.79859973 11.93369328 54.40533077 25.71913542 30.35903541 27.93662082 27.71272625 2.264451522 52.02362306 89.81497564 34.61636298 12.10034539 52.92541104 23.58147253 51.29525591 19.35902018 12.35366443 106.2864142 9.25376587 37.28350989 22.6165634 14.39179425 115.6353254 35.57879072 24.96610942 21.7071733 22.98941096 16.74871167 61.79053133 40.90082486 27.84073828 27.00677161 71.22982838 24.15141345 15.45856572 46.45592364 31.98880391 68.52192329 26.01125572 49.62001728 211.9156044 90.08912883 156.8539548 107.6904474 15.26305163 112.6187784 16.2412913 21.90540607 10.43934649 39.61686795 27.50667014 22.75831853 175.8704498 54.35692275 39.57941049 33.07714397 176.2525748 8.148878273 29.53453643 238.600346 10.36369974 105.8907818 18.88505426 42.20253913 58.79258258 33.3705174 29.88278776 122.3711217 86.86774286 3.503987672 95.74873658 140.5088356 65.52800219 0.928200921 16.98545653 19.76287661 60.09297481 12.78924854 59.68968262 294.3207422 26.23307686 24.3040426 60.27463253 49.92527969 17.3692838 95.8446113 15.37489088 41.86917183 19.09899824 86.35600591 176.7385383 81.45087588 75.83744472 105.061587 99.459696 48.08064646 492.3866008 11.12169375 67.33586966 123.2638199 19.08215249 110.6046885 34.92004564 28.74369941 58.86249013 30.34263934 35.98632305 346.6353548 99.88627719 45.88004246 78.45104691 125.8850571 55.73394802 52.528719 85.63785964 19.88659719 159.1425686 24.48380279 119.1306858 181.6508145 107.0317436 112.4282139 51.73144076 114.6101728 47.62432474 78.8342864 43.90757962 17.72595412 16.11326076 163.5879886 46.04784803 70.28379924 135.0002699 45.33357461 94.17011942 163.8640225 17.2056586 6.442485113 92.80597436 79.0096592 34.63952927 24.18310519 64.66165243 177.6329439 45.1398308 32.20693982 20.45743637 114.9198816 87.47790934 19.74018849 237.2033476 31.62344849 90.49635986 105.2078222 CDCA-d4 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A GDCA 2.054561592 68.79114833 26.93863433 98.42228162 2.689894492 5.664480882 17.26809621 162.2059611 4.012819131 11.51926825 2.113943307 18.94357927 327.714298 13.08884775 7.598812587 15.11790918 23.78934324 18.16401951 3.207314054 5.368082343 1351.500377 16.70750262 14.87026077 11.48790052 13.64120773 17.88535305 7.739587503 12.75729011 9.539622416 26.60720494 65.42350244 13.2932695 4.335210098 49.74460429 27.76748026 65.52070454 11.99507238 3.345682322 5.616792878 5.169723815 17.82407279 4.686856073 40.11187242 73.19604452 79.77258645 36.58593303 9.190883042 31.01333908 35.13127067 16.19907479 4.269242068 6.614886708 185.176306 5.11326178 20.12976644 10.77285211 11.26997926 38.89916246 16.35586197 11.77630955 5.564169071 22.73166933 44.94283229 9.607927613 2.72063772 16.82738686 4.479346834 4.04822025 12.18825568 12.37393556 1.417898111 12.41841617 1.163550835 10.22090271 40.63292383 12.74968203 17.73463136 16.09614697 40.40602783 15.81012452 34.50895163 6.381031024 15.15514202 12.45193731 22.03850339 23.18272022 67.86482514 11.00793506 3.919175904 5.454521614 19.31809247 15.08540413 33.35730746 10.20409362 14.33377615 14.87786811 22.767722 17.26493143 10.54725129 5.425739879 7.734499136 2.187459561 8.37581094 0.378103736 9.71918438 24.60922643 2.753699005 13.88407423 11.14992015 39.62046136 11.88472292 151.9649068 7.310194854 1.680347253 8.849253173 43.00014997 83.13244101 34.3020202 14.9483511 5.476314873 45.41104757 10.09094224 25.97621143 3.2156597 6.162489527 10.64765522 11.22858939 24.42642755 1.474565819 24.64853553 26.71893106 9.836029154 5.832194474 15.52549326 20.91080173 8.006275044 14.28112888 31.49696952 367.3393992 15.06450455 10.87510724 7.554625826 4.771043215 5.629202284 28.7179807 28.12978172 58.87456355 74.65599187 19.05614548 12.04878334 5.553333878 16.7686578 13.575063 1.641661264 3.730333324 2.731336651 97.84931516 12.44727217 6.866160034 7.499733727 14.2164768 26.04304388 133.8590186 4.416143072 33.41670339 14.1032592 15.58314355 66.30962652 102.8950939 15.26884162 2.615845054 6.086834273 0.571780391 29.12317455 19.67718516 11.27276373 60.33008706 21.108212 26.62846695 14.65945299 16.57232255 14.57010952 83.03572944 3.743634924 9.933214688 284.6721397 305.0961198 68.49340051 8.008732538 64.55071628 13.06482123 12.08896834 20.92813125 44.11057498 45.36668293 410.7589275 350.7595724 31.36931354 186.4897122 97.94223895 N/A 36.07095337 13.92685927 11.32234495 N/A 7.957159424 20.83607181 21.9386625 11.81392435 9.294838442 0.999998529 6.180986217 9.894290895 6.50672758 33.36134232 15.5058022 9.175488469 2.231964523 11.34414015 15.84392724 6.233748713 4.106054209 37.1648152 8.127011842 13.1785701 105.7458483 11.78630852 5.189767795 6.368100863 19.13500791 14.04893455 20.81929686 174.3757744 N/A 16.0296052 15.86468547 27.7623569 74.60447366 43.35289955 46.50856253 11.48396403 308.4920246 2.824082107 32.85549925 153.7390691 N/A 0.389267761 173.655703 12.26814005 4.44345385 5.890125672 40.18776051 4.438713124 11.09891293 4.929395741 N/A 5.320410187 4.390430487 354.9936228 32.34818902 97.16213739 5.959303567 65.35713698 N/A N/A 15.72907448 3.525722392 37.65881858 15.88990024 0.268441836 N/A 39.84893878 9.468102058 12.81689115 13.47420201 15.29207348 5.956000793 19.29024992 21.1145035 12.28980932 4.972203541 11.22870921 2.431491576 11.37129672 5.913763509 1.013448331 10.18528246 24.3360426 10.74577642 22.4412322 2.959573688 15.30356476 4.038605929 3.587426099 N/A 3.059697353 4.505871206 15.18390629 10.27625536 10.74060667 35.18670278 4.660678009 40.43085672 70.58399265 N/A 5.767104714 23.9839407 15.75199184 2.171847761 6.901024265 16.40053008 N/A 12.0810604 5.701687104 3.333900853 42.52632265 N/A 38.6280836 16.52116614 106.38367 30.8978691 8.404855702 5.320507028 7.226065357 1.305944942 N/A 2.28872633 GCDCA 6.355907615 22.96263766 16.84536868 169.2608292 9.993146548 5.72719662 8.845187119 307.800021 9.366412911 6.17755641 6.294017519 11.28899032 75.42970216 11.41523456 16.9798429 26.77455383 36.0203256 38.28457565 3.464822857 8.245362309 638.7319381 8.869705093 12.22331457 10.66819588 16.27580915 12.3027268 5.206853544 7.347029218 6.31524509 22.6171458 250.8188283 22.86747058 3.162052351 23.64631168 8.739484331 51.56400591 18.33083439 1.091277526 10.6744613 8.579218313 15.47415875 13.67177832 15.90769917 47.26385811 21.23317372 4.749079376 1.113781995 54.74053214 9.31689342 44.77121844 10.9592182 2.781048019 229.936049 2.639007166 6.112637198 10.41205382 15.26599509 23.60976957 12.39642206 17.60490345 15.23454171 20.63709503 68.92929438 9.752535999 0.899865314 7.975126767 12.02841221 4.702148889 51.34283491 78.04130125 19.03356551 15.86809511 0.985786826 5.842364798 27.57807883 5.111003235 10.9978626 12.24419746 117.1210614 6.777000443 36.89116154 11.30799369 6.503572354 10.28226841 30.7788511 14.95696979 44.80855464 3.722248551 3.874244345 3.723442874 7.751311064 5.190187026 8.183578677 7.618380749 7.614457137 9.714760745 13.9342256 4.727001802 10.21817954 3.605311456 23.2731081 9.020752476 2.295744056 8.966881382 12.5352901 7.239409194 5.380646147 4.351761374 3.580179501 26.08522908 13.49148633 179.6596563 4.424176987 21.07297046 14.59967859 42.51646286 39.14812433 8.797403061 10.3057191 4.301397464 24.65097242 11.83167036 14.9680094 5.166718974 17.57257647 6.02434247 2.494617622 3.893384417 3.989663628 31.13091693 49.9796609 14.02100425 17.98274576 9.296438517 21.28447699 13.32098142 12.47403799 15.67504727 75.26440407 36.27043076 10.34796903 7.496323525 9.438513493 11.96008022 26.63247005 84.73732275 53.02739746 222.2044176 5.466225121 6.859740331 5.074458669 6.632264558 8.855654173 3.496228394 7.373880557 4.521953213 92.73827024 21.85114953 6.344736975 11.84210194 22.60231244 114.868129 193.4639112 31.09545861 32.79995203 53.90265525 31.3562539 330.1276852 26.79938178 73.71443097 29.52456464 23.85331508 91.95282142 20.37584148 60.76648373 12.07212741 36.334271 48.83860375 23.74340977 7.430801666 26.00381155 15.93979806 26.08990289 4.035911942 14.37819109 906.2044238 754.8887075 68.61912653 12.09767998 151.5199724 8.755945598 100.5219926 34.98198562 49.87071383 72.44922201 306.186021 271.2987522 41.94026852 351.5575332 330.9187506 12.09329599 32.23033166 27.34312994 14.94911689 41.26410119 25.70496365 26.7617959 40.83304699 10.46022529 98.49615948 16.71832439 4.577751821 18.83318401 13.65041618 110.5164914 24.26603841 9.521779848 2.820662947 15.09646385 18.71608372 9.678097418 11.41109123 91.67393307 11.89116724 150.1180716 71.23481295 11.55451986 4.168226021 9.139517764 16.19229223 12.69933103 13.79370962 68.80879083 29.12902678 21.13690569 11.16428437 90.90673315 116.5200167 132.4454253 43.99637115 28.60426935 887.4416754 10.26035909 136.1106258 230.4644677 15.60773037 0.785533212 211.010086 13.88960582 2.143827459 5.23042922 94.93290901 10.86271934 39.8016536 13.22430483 72.78529456 12.9344237 9.7324861 266.4733152 41.33461591 359.599769 4.684286037 142.3429385 78.68522331 14.20781301 32.93002027 20.14593437 68.94235333 16.73202443 25.11031401 25.89445254 45.12501483 27.95157129 31.3691849 10.73916701 12.61681795 10.81026659 26.0576275 29.05981237 7.801560326 24.07725553 29.93251208 41.24770731 38.56114577 15.25787002 45.47070626 27.78847613 21.29781184 9.378731048 27.47748054 59.25449411 55.51342183 1200.882279 38.71379405 22.09475178 17.71771916 37.87425479 18.49367035 37.63537699 19.43686511 31.57254563 15.31277662 37.35008764 72.29716243 87.39738463 19.65734579 107.498687 35.76388479 61.60000083 17.49233488 11.28939437 58.4301576 23.60819656 12.8667194 3.0925571 34.57715358 55.59774309 32.46677527 20.74161344 96.83317103 38.80795697 33.57085625 4.999927335 42.3621903 15.88356461 17.90564209 7.777613313 UDCA 9.028713212 181.9147285 7.952604905 17.7965238 94.67570459 8.112269441 31.71627313 61.93409875 9.482106801 4.491183496 13.29380886 4.795193141 80.78335706 250.249834 49.84393689 23.58828849 43.58133232 110.1911015 99.06964579 101.4979704 29.2342106 17.36916534 16.07670479 3.575440276 22.84042059 155.1673042 1.870583925 2.983512901 2.593564367 44.93438856 53.08797038 95.59722476 2.339173876 3.740966808 2.608728313 38.71376575 18.30718184 4.478284648 1.930500436 25.05849466 5.20860456 6223.063197 2.665197346 8.060801965 9.744489195 5.7220334 0.702171901 3.782299933 19.0798315 14.85650987 7.049712861 26.56051047 325.2119549 2.610452529 18.02875167 9.194707563 746.0741682 7.171548839 37.19667039 2.997622699 11.64070469 29.46161985 1.411604975 36.08730678 13.77179891 75.12057613 47.81702331 N/A 64.19974733 148.4483293 1004.237725 5.309077154 N/A 201.1660752 33.1075669 3.690255525 12.78236981 319.2569495 29.11277817 10.76198954 19.26679995 13.43928212 45.44440995 16.73374788 81.69549395 5.812005983 N/A 19.37895094 88.52200973 10.46880986 2.614953669 433.6760957 16.95774193 N/A 70.077013 15.78373767 43.4522327 74.99752187 4.168063328 9.529700904 N/A 7.631309668 N/A 1827.319203 116.9515237 N/A 7.180437975 18.19918913 5.258761623 11.89699685 177.1828399 266.1582579 N/A 139.4496279 14.8442552 5.583658546 37.40854568 89.19653071 69.19318647 N/A 84.95977745 N/A 48.86251647 242.5161842 7.211762881 5.115313213 N/A N/A 35.00175245 132.5223884 31.2556167 21.10697815 64.20254432 81.02828922 N/A 24.3274313 N/A 42.31114312 193.5223499 N/A 81.99688175 140.7225964 20.11318869 5.39167859 60.2855613 12.28871805 22.76303746 293.651601 10.51190591 N/A 5.85933332 30.06247823 56.00783696 250.0517633 16.98323923 40.39626636 111.3658675 6.283006774 N/A 36.13161687 125.4654877 9.767493367 24.50571385 49.17122861 358.3451964 12.29534212 13.8092267 121.2256206 N/A 28.99508129 182.6073753 740.7844543 1015.315335 31.59163815 35.95202836 N/A 15.13105385 14.84817384 11.68231739 11.31901523 5.153786611 150.5507127 5.787026452 N/A 4.746006259 44.64312123 25.04968595 2.058587916 3.333954101 67.73827579 12.31934459 15.32085039 N/A 44.67148909 4.400176005 466.3440944 12.85937094 2.781790696 25.41005614 79.24046082 211.5121026 8.796300385 9.367230713 11.79035871 642.9716995 28.86756964 5.284557751 40.83538319 N/A 557.1730769 661.2864855 N/A 11.47876956 1001.926192 63.62083013 1151.498243 68.99825478 N/A 278.3642834 21.3133569 8.209101333 5.632876177 39.33075357 11.05709172 30.98150695 1829.614682 N/A 6.732395729 N/A 582.3746512 N/A N/A N/A 218.0228534 N/A 3.847709109 331.0574096 29.34581822 253.8966392 4.253865713 365.6823501 117.6400228 31.3561847 1632.064286 59.56372542 1027.733337 0.792340707 26.53343399 N/A N/A N/A 530.9171496 1471.979104 65.26173728 8.817689892 3486.574129 121.9569004 5.232088123 N/A 50.1070378 28.10580823 N/A 198.7360278 3493.198698 1024.576269 568.0257124 408.7188538 343.3043307 73.87039299 3595.808818 161.2474276 161.3753387 309.3858278 47.57366546 105.1301859 88.94795973 3.944187245 109.3746946 N/A N/A 1578.554853 281.4383582 309.3962623 500.7461423 367.5572705 1014.257042 304.2037294 14.45899657 73.22019102 5.443203115 331.9909779 1438.906584 1367.103947 569.2168751 1780.278804 266.6868919 988.1282362 31.20480512 1169.244788 48.01330401 N/A 53.60140688 188.9052793 506.6458653 2405.295205 1526.56656 105.4231476 98.79511816 1744.421711 20.44177097 6.414401519 739.9576276 990.2359259 23.74250647 7.816869835 4.831670238 3145.703028 97.66515196 69.39941138 17.77782619 482.852151 1968.86942 2.76251952 374.1128942 110.4197562 410.2398015 206.9890243 HDCA 10.55321335 17.65784915 4.555299353 10.0571952 12.28814701 3.725569481 8.325209814 11.61846054 9.788606355 48.87177447 1.903509521 22.9493409 12.82222718 21.96874646 8.452544155 37.24007229 79.09209714 3.664935091 1.519317938 16.36514199 15.80121914 32.06146801 9.386502747 20.7581414 18.86034849 17.98454317 119.8040905 4.074726194 28.96095563 7.238801317 1.046606784 15.36540961 10.09656552 16.14195577 13.42977228 38.55499157 15.09703501 4.896944719 21.41434801 3.845518061 6.197413869 22.78525688 28.0043354 7.55004581 2.714519408 8.689633019 7.053812916 6.942301386 20.55646662 46.5906191 38.9582922 8.136960383 3.401550901 7.155225812 11.87764263 3.448112314 5.553910363 13.78416968 9.741799096 4.265800441 18.39806733 20.68686281 27.0237814 1.428071024 3.238274673 4.281529887 40.73048582 N/A 17.85216601 13.58226988 10.03535633 3.828830158 1.541817743 9.235751828 6.892686316 N/A 20.4163961 14.6759883 35.50159273 4.063598715 4.528757319 9.866443059 25.29249065 8.289382106 9.389768686 7.162741072 2.343150142 8.025493187 14.72388544 10.83727285 22.75049603 7.037227037 6.623244139 4.564517278 23.42469341 7.711307128 18.45957206 17.69555306 15.61699263 5.24491547 N/A 4.687490824 3.493339758 1.971581413 53.78101285 17.79956581 20.77094958 15.5168707 8.631721132 28.66809677 30.92949365 8.236121641 19.69024755 2.538033515 6.765769587 48.10051705 5.930184704 17.15283146 10.07153968 26.71355243 10.18709077 12.88847109 9.756007753 N/A 5.268707075 5.992783147 4.649717514 7.025192612 15.15402618 14.67543091 16.40421983 5.960424104 7.79928077 6.470606494 15.74976449 30.82339554 26.95963074 11.68874167 11.37664727 1.803759775 5.104876324 3.671833485 6.83277272 36.57512595 8.883273294 1.809112561 31.75181406 18.24012231 7.85274344 22.32863842 8.052498058 26.15782674 6.295993424 1.676989878 24.55048538 6.76697829 15.55515398 22.31046523 9.333649822 6.036760761 46.36922379 45.5827706 22.10291273 24.33271839 3.74240835 16.65999543 33.67057779 14.72391415 8.885607081 22.58523089 6.080925688 5.232240272 N/A 29.0776862 19.22820425 19.76044009 8.884502346 25.29213726 22.53213367 15.34526761 0.479191774 9.58890875 14.89313189 19.48063451 6.914418657 23.14074752 25.54707573 11.19895501 5.836700954 20.64197023 18.45101401 11.58321894 15.14117352 19.59506683 16.66161815 18.87322643 38.47467958 8.688222142 9.479968195 7.244879019 0.589556901 16.09882873 30.42729101 7.394107833 N/A 22.51317141 20.76289447 N/A 14.06818296 N/A N/A 12.34337204 40.07496226 9.614995758 6.261820615 18.85486284 25.55318245 3.896461989 19.30211349 16.76355422 5.476422375 8.270047434 11.46322104 7.938231424 16.81262333 26.87984421 41.48561576 17.65419628 7.963767481 8.804234233 5.773322229 12.62150994 21.24739784 1.576551139 33.60211563 11.98483439 2.546683828 17.57860101 5.547298097 4.035490672 11.77297845 5.258133286 N/A 2.408275229 46.24384983 0.983284672 2.33675031 15.14188916 15.28767472 28.17853277 9.534692193 26.0392245 2.553017766 7.66890847 18.03668527 N/A 8.443123828 17.56821688 18.39441944 7.455954548 6.277164494 10.95937955 23.14875249 N/A 0.604029095 0.805427666 2.742677605 21.62219823 16.37666715 N/A N/A 28.9303653 44.69446664 28.27943219 30.81435454 20.79472519 20.85550975 2.459355768 28.97242023 19.98894366 2.992557702 22.27597758 1.517144647 5.301869866 8.028931782 N/A 8.830043989 N/A 9.772464159 44.8672672 1.906599218 1.176643398 N/A 2.147312226 N/A 0.73406549 7.840503339 26.34015611 6.704004112 31.06377948 13.1929825 2.289275931 30.6788426 2.065027391 N/A 2.607665492 N/A 19.6786249 0.874245679 15.34997779 2.195098711 N/A 13.97315724 22.09099122 9.315936357 19.06360499 N/A 12.76113622 21.59993669 8.740969231 8.788084568 N/A 29.13569561 42.97909774 N/A N/A 3.060772517 GCDCA-d4 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A ωMCA N/A N/A N/A 0.597485684 1.741762678 N/A 0.675855128 0.738028513 1.957771228 N/A N/A N/A N/A N/A 1.034167497 1.110782802 3.000530219 1.222693576 N/A 1.891715654 N/A 1.538776454 0.799771083 0.198565951 0.656758878 4.348717308 0.598109446 N/A N/A N/A N/A N/A N/A 0.586312114 0.146189203 9.241348122 N/A N/A N/A 0.837961286 N/A N/A N/A N/A 0.341760147 0.178575194 N/A 0.336343302 1.668209269 2.644723001 N/A 1.971155886 2.289762657 0.397638279 0.844488288 0.375187487 N/A N/A 6.04809421 N/A 1.171574086 2.050489331 N/A 0.897501786 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.776344925 N/A N/A 15.57654962 3.16924713 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.949263465 N/A N/A N/A N/A N/A 3.53750271 4.722474137 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 23.25208186 N/A N/A 3.088692113 N/A N/A 3.704830492 N/A N/A N/A N/A N/A N/A N/A 1.45309375 N/A N/A N/A 3.951024716 N/A N/A N/A N/A 2.436043782 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.706609126 N/A 1.1048996 N/A N/A 0.514044987 N/A N/A N/A 0.387233425 N/A N/A N/A 1.863469244 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.507122796 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5.466206239 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.152268079 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4.002459388 4.754033286 4.260147124 N/A N/A N/A 3.580337142 N/A N/A N/A N/A N/A 12.72485472 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3.230207157 N/A N/A N/A N/A N/A N/A N/A N/A N/A 2.394816085 N/A N/A N/A 1.346939072 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A αMCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.644815603 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 7.827427807 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3.951703758 10.97284938 N/A 0.748800763 0.316938156 2.717619215 1.247473481 1.267664997 1.43834696 1.576185556 N/A 0.789397915 0.847370758 N/A 0.770846815 0.259547883 N/A 1.142253164 1.414050697 3.6717518 2.347580495 N/A 0.945571036 8.3038532 1.55971734 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.149803366 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A HCA 1.877509615 0.595086578 2.392499819 0.629226075 8.922355258 N/A 0.195426325 0.80648374 1.573592308 0.100002684 0.187645842 N/A 0.455529604 1.026282035 2.064662735 N/A 1.022797778 1.889263746 0.789906635 1.354860387 0.229883648 0.328498697 1.720416617 N/A 0.493632275 4.75503893 0.153215765 N/A N/A 2.856179609 3.098173073 0.758784175 N/A 0.408217135 N/A N/A 0.309771345 N/A N/A 1.411678983 0.595528485 26.76854616 0.03878463 N/A 0.099773962 N/A N/A N/A 0.986247555 0.910179872 N/A 1.265123067 1.882725895 0.076091791 0.059862864 N/A 11.36931632 0.092238002 8.455709211 N/A 7.001743968 0.379649869 0.241618963 N/A N/A 2.562581233 0.76574178 1.175555814 0.981279321 6.248457075 33.29192836 N/A N/A 1.487579909 N/A N/A N/A 3.467776569 1.665173281 N/A N/A N/A 1.985828325 N/A 4.785912476 N/A N/A N/A N/A N/A N/A 8.734915633 N/A N/A 1.03798531 N/A N/A N/A N/A N/A N/A N/A N/A 12.60653592 5.534191137 N/A N/A N/A N/A N/A 2.835493912 6.557244993 N/A 4.960943733 N/A 0.639550052 N/A 2.523045773 3.100397658 N/A 1.948708335 0.324264186 N/A 4.215503631 2.404725299 N/A N/A N/A N/A 13.43090108 0.922321194 N/A 5.564009291 N/A N/A 4.082560821 N/A 0.782676681 N/A N/A N/A 1.109985669 N/A N/A 1.045818291 2.49822879 N/A 3.704905775 N/A N/A N/A N/A 0.614037324 2.730103301 4.499372289 2.244337622 0.760765607 N/A N/A 9.904343028 4.318217486 0.833972599 5.20161837 7.011080615 1.863516306 0.35774598 0.254000001 0.789108006 N/A 0.369762203 9.921672244 7.372818567 10.16814219 0.084211099 0.418214963 0.192268211 N/A 0.112772922 N/A N/A N/A 6.25298718 N/A N/A N/A 1.235105972 0.607518654 0.051865727 N/A 1.119296683 N/A 6.04272993 0.123982017 0.246724844 0.15813583 0.995698323 0.452834916 N/A 0.760293154 1.257646184 6.449470088 0.153499633 N/A N/A 8.023625864 0.261576191 N/A 2.16747678 N/A 6.5230798 23.29081797 N/A N/A 10.40044776 N/A 8.507387353 14.4924731 N/A 5.432387354 N/A N/A N/A N/A 0.85262898 N/A 8.004600734 N/A N/A N/A 1.277667604 N/A N/A N/A 11.7515755 N/A N/A 1.144104224 N/A 17.52912472 N/A 2.247435018 4.898600378 N/A 3.829729639 0.493949145 9.16170328 N/A N/A N/A N/A N/A 13.89440219 14.20883846 4.550439521 N/A 24.99075167 8.135988689 0.508467462 N/A N/A 0.639235707 N/A 5.015436191 20.48853962 29.76225257 7.983054594 8.905763347 15.60335291 3.534837285 19.21754522 11.7564585 3.287108582 16.56742527 1.439549232 4.748152028 1.307696894 0.851097453 9.201570733 N/A N/A 29.64495961 7.782014842 9.224639935 40.65671361 15.11783576 35.48111677 6.162658285 N/A 1.454176304 N/A 12.0638713 11.92497169 15.19674851 17.81496182 24.78366432 5.486951708 24.27012841 1.245700197 26.91193888 2.303539433 N/A 2.392604878 4.208179506 6.507705362 46.34241198 20.48176334 11.49611784 2.266843383 25.84234753 2.03620942 N/A 11.08378448 16.29740373 N/A N/A N/A 18.03072598 3.062069948 1.391124637 N/A 6.120549945 15.78476103 N/A 5.713351658 3.69314743 7.499162083 1.692056506 LCA-3S 352.4621139 170.8959978 2.098273988 16.24745601 0.751527259 3.084739183 10.10629449 30.76392665 3.00650802 17.73052813 7.673613804 1.205065943 163.8784592 146.1228778 23.26849097 33.20999716 3.926533324 38.62742994 16.48765522 57.86213847 93.59965887 4.954385457 8.017539393 5.529627759 71.23627242 1.67912751 0.789655302 28.2541721 3.542212327 7.807240657 6712.55472 34.62679918 0.264423402 28.42576937 5.573933568 24.12132277 139.2017664 0.498458243 1.12513842 2188.247691 1.441990174 2025.878527 15.08203787 426.0959893 33.79920444 5.726529001 1.482080565 5.392541816 8.972719877 68.31328109 5.236192066 0.240098371 101.1376483 0.755494094 30.72086737 575.0175448 147.0626735 3.39151308 17.19207191 52.08383889 15.66579481 62.66042191 6.241413332 1.045650176 0.682229396 2614.577655 7.945273371 198.5332256 34.86174545 3.318608548 505.8534428 0.76941991 0.498563595 4933.983235 337.6838224 7.155081855 2.229252137 1.491997937 21.51296695 87.22817627 3.320760503 2.069535739 1.28148592 24.86589369 1418.881702 19.45084486 70.70956503 39.27566381 2.211252496 0.777982102 11.92075059 236.0543057 6.49165163 0.804569032 0.720891734 1.193783754 5.891404273 3053.944785 43.23217104 6.64994973 129.63142 16.84090869 7.580190134 N/A 4.850397605 1.203267362 281.3190941 3.438069664 2.946449439 1.158431339 1.027416321 170.4036264 1.308419334 1.036150958 4.4534649 17.72224872 30.38708918 13.60877124 9.370949288 0.980160026 16.5609327 2.47859394 5.641732388 543.9421493 151.8283295 7.565123493 0.731177253 1.067375691 13.92247237 8899.223971 2.692215837 13.16251387 13.78665467 18.13464819 9.289147771 5.973919857 3.973909236 1.850927386 835.9979017 41.96311099 1.179620813 12.44517706 79.26796503 97.67292072 4.455609929 1224.419324 18.17655267 34.95698018 20.75877288 8.707522079 0.953009338 1.07680454 4.33869352 111.9849249 547.2146265 75.17941963 2.200590097 2.626901007 0.551999936 0.218634115 3891.55639 188.0750931 23.98465941 802.8034796 1851.844468 1.976917835 1.83424672 11.7831343 20.02423358 6.891341902 350.854182 49.82574392 11.08803582 8.015694956 2.007561432 1.762095956 4.009734203 1.457225391 10.17835737 0.268353914 985.4011512 53.93772811 4.6099751 4.99611655 151.0595179 20.02654656 36.93144926 10.53545402 7.893681837 3.474900415 10.34090386 33.40650286 5.309681719 25.34546361 3.597237802 30.18750294 17.50686643 1.160824516 10.41473589 1.883201544 8.677839803 6.96195177 12.44849318 3.798032628 5.246512474 55.31666138 18.87498852 28.06991271 5.789972034 37.37414553 81.81013355 3.055954677 3.483876644 346.6362453 1756.895498 2430.025099 2.491721703 0.651508938 439.3714365 4.630546364 3.64759886 1.485941058 15.42811585 321.5333517 16.29556882 987.7926298 3.025677065 0.529419365 3.420996015 1530.233085 1.688389982 2.080251549 17.12121949 5.388041932 19.32881368 2.613236284 2.928894016 7.196174504 1.349520789 18.54604312 31.42480339 56.92609354 115.9629922 2.628000492 1419.749421 5.677008719 5.025889446 10.83696194 1.990036696 0.271844521 2.467660946 397.4991407 935.0875429 0.502962709 3.233836073 23.11550215 3.911076711 2.884583393 3.005006687 1326.909037 80.12164308 0.862855711 118.7846004 22.38279694 3.962386348 0.955078042 4.813088781 19.16153608 0.886808926 N/A 10.34100505 16.22592278 N/A 16.70987424 608.0013268 6.206606451 8.611250364 4.489031299 4.151122899 2.018467327 2.794988008 10.19476484 N/A 190.9134313 N/A 1.133186688 706.4368974 11.64319165 25.23172318 2.725932414 20.76629598 4.37230048 N/A 2.996595934 N/A 0.654254125 3.92464 22.41467566 1073.490131 2.948624406 2.098278657 17.05841986 5720.707974 989.28124 28.85352344 524.9660701 2.691076474 43.12263686 17.28407238 83.96105492 0.275346168 17.37947529 N/A 0.944071158 1.452923916 8.89491049 N/A 54.94209 1.259775268 1.105056922 24.2844379 3.052640695 13.91028974 9.129443276 N/A N/A 11.03178494 GCA 3.210714468 4.96795674 5.309975649 67.96698608 3.277873005 1.276523756 2.470504948 49.75130872 3.506758857 4.427159034 1.131948075 10.26137709 36.17685108 5.266021284 8.070910853 9.798101192 7.342583601 5.5916413 1.724187749 2.617103356 538.2475509 4.297656744 2.94100167 3.415518624 10.08151604 6.643320874 2.637988052 2.567783434 1.590037515 14.02783276 49.05066335 9.356694138 1.288251732 4.947996519 3.305551964 16.08499547 6.746899732 0.507348297 2.978229964 2.611599578 8.185391358 3.854965275 6.362332393 26.98324408 5.347747895 4.036885097 0.82671294 16.56920969 6.179036802 8.942892859 1.801333812 2.343849484 156.8287076 1.443373569 2.536414555 2.757263133 14.99387819 18.12371896 6.278448934 3.029562015 9.708508009 11.20216348 36.22873777 4.838706015 0.819533753 3.080946553 1.218196673 5.817281603 5.370278268 123.308276 2.751730022 5.195691555 0.42610711 2.260617393 7.543468969 2.289110652 6.572793625 4.3269294 78.10565454 9.826132692 46.55901708 7.691126775 2.77786048 3.069760083 16.68282515 10.69086435 11.51022707 1.496380227 1.506883372 0.742431548 5.783086633 1.624309773 2.513476942 1.974439765 1.278507343 5.746885517 9.348698795 2.11004124 4.568124374 2.373773065 7.976025184 1.568642648 1.500514251 3.131015307 2.903324001 3.934857712 3.63089294 2.54161111 1.404958404 18.22473537 16.89264073 105.4756209 3.823103289 8.180291317 8.683175812 14.48941989 4.319713173 8.209825762 4.293976017 3.784394517 6.059241045 5.160239027 2.167689311 3.154999308 3.460509725 1.701515708 1.108376385 2.840451535 1.178107199 9.374640498 9.938089345 3.793823927 6.509544127 4.370532217 3.40189374 5.315336923 10.18454189 7.736330809 43.05883541 10.63360511 2.635343251 2.365789354 3.830033616 1.708137666 17.43003488 24.49633045 41.16420546 61.90189395 2.957278285 3.547833643 1.505587032 2.918147164 2.974013224 2.103801138 2.453751 5.415334483 126.5552827 12.07641288 3.524523156 8.567940624 9.923929674 29.62631535 154.2389904 4.330127036 11.29123163 35.68478944 34.49015772 191.1916311 13.53480588 37.77810451 8.05961328 7.999598426 78.73917482 16.39812845 76.14161887 5.06532063 28.34865906 25.8272677 10.51868772 6.591192209 9.330023859 22.33029968 44.81367983 1.779585538 7.219182471 992.9846016 323.2304582 51.13953443 15.21056121 228.5832769 6.690230415 95.87785985 21.51791195 39.61053924 96.47605548 424.995372 410.3711439 68.24720651 637.00717 496.3528887 6.766506867 35.99333837 6.981779703 11.39632952 18.17830625 15.30699892 6.113991294 9.689844738 3.265431446 124.1847808 9.731727712 2.092537138 5.083763571 5.558515824 50.70066293 7.243370234 3.524618717 2.654334383 9.268036231 12.43867408 3.007980874 6.219748444 48.08537634 9.609052502 11.13309428 21.95475052 9.512093779 2.387337199 4.081154794 5.265120044 8.508918543 11.64436386 41.90433398 5.611320982 6.420057376 4.683642789 39.52614724 153.5206511 95.77657442 26.36641848 6.201585432 994.6716752 2.016786887 80.92383277 86.25298071 9.441124259 0.769591524 122.9199461 8.271322498 1.546006206 1.765807212 115.7274096 4.391967324 18.31598356 10.26129736 19.0536287 5.945207586 11.35789981 202.5699954 15.01042305 301.7133733 4.128913113 135.0061012 23.76153802 12.32990056 22.15060402 19.5409362 32.5404812 14.17928683 12.87061244 14.48094558 66.08698924 14.99375146 18.06638175 7.572524261 8.240287561 6.172374428 18.53741603 13.21460012 5.387043205 14.06468804 22.90158722 16.32809847 18.00385992 9.760754029 13.96088764 10.03855423 15.72157111 4.276431978 18.19561324 40.57781517 30.11653052 1275.269102 20.99773544 16.29064612 12.46987857 16.63814426 8.767256616 18.3661269 15.15964262 26.10431746 12.05510869 31.11784622 114.3062343 74.972196 18.5688344 42.4978155 21.24201821 51.3478573 3.247912839 2.545304424 30.0583125 17.14561415 3.681519933 1.894189893 13.73281255 33.50475082 17.21485397 13.12370665 206.4753146 45.85723882 33.25345621 2.911824542 18.10000745 6.335731637 18.44740093 3.910023082 UDCA-3S 63.64436069 0.592359163 N/A 0.360423244 5.794693705 N/A 0.18784982 3.049153139 0.157947584 0.389320055 N/A N/A 1.718296759 7.021926334 36.58076588 0.866254436 0.676943865 0.724946409 5.17136738 3.720693711 1.212963007 0.299243405 0.388986123 0.556881695 2.464576625 0.108012151 N/A 0.600491707 N/A 0.171564681 3262.385036 5.371756389 N/A N/A N/A 0.499432356 14.15580911 2.610013068 N/A 400.0717197 15.9948694 820.3409149 0.18854249 386.798002 N/A N/A N/A 0.073980335 N/A 115.6428985 0.703757508 N/A 5.909734781 N/A N/A 366.9370589 99.58951184 N/A 1.993902886 192.7611695 69.82009566 53.47891584 N/A N/A N/A 654.9884276 0.693005549 38.73221088 0.978398533 41.73451935 1888.948175 N/A N/A 110.9595793 84.94360527 0.282900179 0.223301636 1.726800236 3.599586274 9.255236299 1.48176638 0.546846691 1.50710822 0.176055776 539.8827161 2.968323674 1.495756455 0.8272675 4.943970519 0.6071009 0.27552206 12.71539505 12.27680467 3.021656287 2.345573677 0.29256642 0.505708526 193.7679604 0.175587887 3.430428289 238.2196491 1.79920352 N/A 2.050438226 2.703105122 1.650512647 52.33069417 4.574693412 N/A N/A 0.78262215 22.62930881 N/A 1.477297718 9.889690933 0.325949794 0.120617444 8.45927817 0.187667303 N/A 15.31718985 1.113850348 N/A 491.407483 195.4312231 0.207538075 0.705143045 N/A 0.718010439 2291.311339 0.382789198 0.466076583 131.2428191 48.30240765 0.794196712 1.471908144 0.723307539 1.945549706 3.116809792 3.361892667 0.186428009 0.489079486 56.22229071 0.754375499 0.264331885 415.7328139 0.65446902 20.66909445 1.462093487 0.349544358 0.10875896 N/A 3.967229054 87.24761802 124.5187252 1.423108603 0.37907941 N/A N/A N/A 102.9232065 25.23035571 6.035090739 167.9350513 227.4930346 1.184077778 0.402295684 3.99925168 0.289234179 1.125700664 411.6034505 23.46604334 206.1788601 N/A 2.659923229 N/A N/A 0.408953173 N/A N/A 169.6451475 6.450034403 4.747442062 N/A 15.0899072 2.524707711 4.76646312 N/A 1.3287224 4.01947707 0.214117986 2.470702778 1.117373103 6.491821935 1.35377 2.84890094 0.629886321 0.068387837 0.560284787 2.18731774 56.38264987 1.162658425 2.063150357 0.606261929 287.5642793 77.46097198 8.023937388 16.70754625 0.75315309 204.6858976 194.4613899 4.203000899 1.19409111 103.2013189 523.620141 121.9992237 3.153777314 0.878090305 279.4639434 0.106048381 0.700143472 0.420672029 20.75707814 16.81845706 1.498964495 97.96412507 0.074144668 0.59664291 0.312837292 28.33920781 0.084619684 0.454657759 1.330813145 1909.136172 N/A N/A 8.030156064 0.60499817 4.177215373 N/A 6.475853881 17.20136224 105.6173865 5.653156037 143.7574277 162.7015472 N/A 1.075248499 N/A N/A N/A 65.05838178 203.8573418 0.808076436 N/A 476.1387893 3.021411191 0.601054023 N/A 230.5897997 32.7362176 N/A 7.6675477 50.06187479 170.3448524 5.507137682 3.006758724 12.29219291 3.730636302 9.409678438 322.9893734 10.93641166 3.951754269 86.70550216 33.38692757 N/A 1.292446417 36.29592485 2.691917678 N/A 8.531040972 60.85892759 3.014428246 850.3010382 3.524815783 10.0331834 48.40198765 2.498539516 51.60617124 0.253629171 8.876171911 6.46727873 3.013271583 54.50553386 4.444376945 1.283712524 76.6337477 N/A 275.7522316 N/A N/A 16.29742415 95.10461241 285.5293422 1197.478038 427.2078071 381.8687525 3.82327312 195.3855206 247.7457115 N/A 194.0239178 21.24948412 9.660074053 0.185008392 0.136882633 5.024563479 2.209722027 3.23633788 0.236934807 28.20086489 7.893892821 0.245036216 11.18318439 2.467112978 2.845483719 9.667623394 CDCA-3S 440.9892285 1.785870354 0.017486962 0.890149669 27.77507765 0.301787929 0.206160261 2.117939582 0.305108964 1.494978735 0.147402908 0.160294305 18.25970186 23.67756542 6.826072251 1.924883129 0.962921103 2.085016983 9.012999916 2.541957057 8.808670706 0.984785012 1.153727291 0.708799285 3.570401807 0.057764654 < 0 0.827839269 0.311327048 0.391915513 2441.253383 5.342296562 0.04380194 0.686833721 0.162992504 2.603950108 24.49461714 N/A 0.183564701 625.8472718 0.296280746 797.4753496 1.396024416 111.5579641 3.388497947 3.415892429 0.071364276 0.282533955 1.231615296 5.971117085 0.86385372 0.059319728 5.660964832 0.027478767 0.463426933 509.7381507 64.50867093 0.293409929 1.786934045 206.6092693 579.1792804 4.716400428 1.325786203 0.020753741 N/A 490.5375745 0.779829023 66.38488049 2.89147885 2.088332586 2608.861387 N/A N/A 288.5910017 244.7092564 N/A 0.159105768 2.994013312 5.270752007 6.740089171 0.30665127 0.368173779 < 0 1.199559975 546.3210555 3.237898365 2.040433921 0.657934804 22.90353796 0.181616213 0.677666868 131.9548669 N/A N/A N/A N/A 1.020970613 280.8837453 0.616257581 N/A 1234.158442 1.419410744 23.84728657 0.190775401 0.406640132 N/A 131.9558941 0.563321711 0.215007003 0.114998788 N/A 13.72515584 0.052728427 0.677813365 39.43517592 0.591842712 1.385354995 3.015018595 0.472176622 0.131612341 31.33120762 1.096132259 N/A 558.3281786 665.8976093 0.737100581 0.238883135 0.220170288 0.407566925 1556.851148 0.700996319 0.763590474 N/A 0.3208669 0.51628727 0.452220889 0.407773241 N/A 14.27390392 14.8741305 0.019249242 0.32798793 11.80181657 1.439224471 0.205200023 762.6872052 0.488432567 10.61151974 0.143236112 0.25894674 0.056535414 0.49612933 N/A 104.1606222 850.7133876 17.8207131 0.384200474 0.069795187 N/A N/A 783.2154428 120.2045174 N/A 275.0735139 448.9509013 2.084966923 0.452429248 9.246158252 0.25848276 1.588781318 809.360869 15.46409454 240.9424016 0.731263665 3.182547262 0.52054796 3.589718933 0.496229906 0.640404504 0.003966106 482.1203108 9.605284879 1.747507306 0.079751364 22.45317104 14.08663697 14.08946315 1.833832931 2.37321565 4.195434097 0.239827991 21.991026 6.055658463 3.723107313 N/A N/A 4.878629102 0.239852825 7.578385219 2.621324485 221.837486 1.970154694 0.570939492 0.961630892 504.252227 4.325336925 N/A 77.17506758 0.697265679 503.2320597 412.5607884 65.31947104 1.112678859 154.0229476 430.2341389 396.9345313 N/A N/A 984.9330212 0.411371646 0.487329533 N/A 2.251630936 261.3880672 6.629428658 105.915757 0.175980739 N/A 0.566224846 86.43681386 N/A 0.300582453 0.590868994 1053.819639 1.986393967 0.157202811 N/A 1.714047771 8.261040157 6.774100807 3.651930954 39.39989833 296.9976949 0.288186913 279.4246436 189.7267969 0.21413571 2.689769403 0.202442294 0.047759454 0.696639261 290.7919071 522.1374374 0.044592874 1.010470721 917.6242061 1.897259296 0.540334903 1.14358718 325.5519212 80.19669418 0.040695053 13.81921951 1.267312475 623.5362818 N/A 0.958325864 N/A N/A 2.232693819 575.3580872 N/A N/A 251.34048 89.27573087 0.212006072 0.757461532 N/A N/A N/A 1.953981462 4.7054761 N/A 867.2475888 N/A 14.96371376 325.7884292 N/A 161.1714027 0.300056904 N/A 2.707797985 0.523997322 16.39260363 N/A 0.925792004 2.853236742 2.758735343 834.0176643 N/A 0.214419386 10.59530317 875.3692292 562.3688986 817.393461 698.6249093 101.8828631 3.681850006 353.7863886 546.7953773 0.020795273 493.6091662 N/A 0.161108963 0.045971 N/A N/A 2.975320839 0.48269071 < 0 3.172458891 6.042334382 0.733426676 12.62230312 N/A N/A 19.73549374 DCA-3S 1254.061599 11.82683219 1.209697137 2.719719502 N/A 2.65300468 1.231606018 4.343041296 0.661653534 15.36072909 0.705507236 1.143872633 93.06872381 35.94148963 47.9298611 3.009479308 2.81608264 5.961268947 0.698050719 6.940170815 45.80839572 1.265513086 0.985435331 3.864470828 13.35458945 0.34618647 0.75656868 18.33886707 1.904177921 1.943823849 5844.353691 15.13675904 0.156927379 3.080808635 3.283537411 9.501781128 91.95691223 0.631093434 0.953726411 3192.379414 1.205638968 1919.209707 3.988411312 4740.799147 9.080265989 1.017205844 0.513358142 0.894015585 8.640571759 22.96909639 1.308473275 0.222890848 39.19096873 0.519256249 4.897031866 3025.594235 320.683375 3.547014185 8.704931852 1847.978647 1793.128855 114.1214134 5.239875058 1.00220656 0.945067308 4659.434412 1.452701859 302.3324664 1.87064123 75.60929997 1587.403109 0.378104804 N/A 2396.152354 2536.815692 2.227753781 1.592523018 2.440986678 13.92032833 99.8049901 2.094924287 0.851440951 1.438542346 5.260631992 7680.459713 36.95162321 24.68545888 9.411418039 1.331238821 0.418504996 3.32070308 101.1427537 4.08460691 0.801977203 N/A 0.592556288 6.128476349 5069.240969 3.447236797 N/A 1588.981239 5.22564739 2.251469437 N/A 2.234357629 1.924635205 270.0300987 0.922120159 1.156947436 1.033722311 0.944700237 61.49459051 0.288071257 0.176881534 6.180893296 2.737722125 7.645546187 7.197908773 1.168099876 1.426021029 26.9609888 4.841989586 1.880903943 2490.142467 1589.044987 4.054683959 4.504465728 1.808917803 0.911110454 5638.706366 4.236087117 3.614302343 33.84476863 1.574002046 2.100361439 1.477038196 2.649907361 5.081459239 266.9544323 43.65230796 0.307303482 0.756838672 34.27332919 3.279396225 1.209670174 1499.057123 2.867217888 16.61649557 6.58861169 3.41162955 0.459853675 3.219222504 1.079099042 448.1351944 2157.82377 46.54551652 1.088813951 0.501402008 0.174438085 N/A 5892.124915 322.4562943 14.96320313 544.8373242 3604.957147 2.871196038 1.24737019 14.43169046 11.53027387 2.025815281 665.4989239 12.34962219 14.3193353 5.699888756 5.484277212 1.809633844 2.763699957 1.540842253 4.469167557 0.263117619 2213.136086 29.9940912 2.399983017 0.558863266 177.6617922 19.46845701 54.88396115 9.884581086 9.258890213 9.86204489 3.161993016 16.67637628 1.266136693 27.14091785 4.458799225 8.846007344 41.225237 1.120214677 13.9146444 5.293485631 15.37358305 10.2576413 3.46054212 2.926411578 N/A 20.02234713 13.88787745 487.1552612 7.142747559 303.1556954 210.454233 N/A 4.894861552 280.108797 1576.459294 1356.659762 N/A N/A 7550.91592 0.730663456 1.309598739 N/A 7.729021071 1517.168906 2.963176082 1222.696391 1.972149899 1.050432156 2.28772936 895.6381855 0.348925218 3.376351224 5.637270176 N/A 12.53597081 3.016588668 N/A 4.926123264 1.907724018 35.4562128 7.932703361 259.4369712 502.5751324 N/A 1812.729675 N/A 0.297234846 14.0404342 1.798337082 0.492920495 0.720969426 831.5645141 1128.244381 0.27810907 0.833288517 1.623559752 1.843220158 1.546529388 3.792198188 2912.344697 411.8466439 0.781513437 29.93414857 N/A N/A N/A N/A 12.14231962 N/A N/A N/A 17.29559917 N/A 1143.968821 1221.046999 2.60641735 3.814135133 N/A 4.815766018 1.366886444 2.008794527 2.332923289 N/A 2429.172772 18.13480358 2.642469537 852.9562661 3.826244757 2159.017819 1.052928308 N/A 1.129899744 N/A 7.757568317 N/A 0.472574898 0.948870299 11.99029536 1634.21798 N/A 1.522414353 13.04537405 7147.81634 2124.326357 N/A 1563.096316 155.4102085 4.841739016 77.23044761 1685.820672 0.238216017 N/A N/A 0.681412453 0.560034357 3.661070837 N/A 18.92736197 0.399638959 2.286966081 18.18710977 0.869490317 5.313416352 2.095172504 N/A N/A 31.27725892 CDCA-d4-3S N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A CA-3S 72.69997534 N/A N/A 0.227856194 52.40314299 0.261151001 0.204843483 0.160755473 N/A 0.26039094 0.250209272 0.245059541 1.167457053 1.921677174 2.897959755 0.237832256 0.289995698 0.222354327 3.555076556 N/A 0.470827233 0.209049997 0.224647956 0.14003546 0.305607698 N/A N/A 0.195544514 N/A N/A 217.2201139 1.30672082 N/A N/A 0.176324818 0.229616881 1.090668683 22.04755894 0.20602486 59.91051201 N/A 44.0058534 0.165617072 38.85627181 N/A 0.185738638 N/A N/A 0.18516364 0.351684482 0.214487335 N/A 0.664035688 0.231730587 0.228758296 32.37464285 12.8858844 0.391817927 0.285982083 27.41818852 103.4647874 2.520030903 0.225522593 N/A 0.256471635 31.63534006 N/A 2.975672868 N/A 23.55863871 136.3176874 N/A N/A 19.10025763 22.9914109 N/A N/A 0.464554025 0.564630556 0.25887944 0.26492261 N/A N/A 0.313908749 128.9077079 0.60672933 0.512900982 N/A 30.72779785 0.362895516 0.238413749 2.147325181 0.313590414 N/A 14.69894663 N/A N/A 25.63130244 0.218994367 20.32370155 140.8009467 1.107519922 N/A N/A N/A 0.207045446 12.15643821 0.245485001 N/A N/A N/A 1.387123187 N/A 5.364522912 30.56209484 N/A N/A N/A N/A N/A 5.238512726 N/A N/A 69.70074433 56.97559115 N/A N/A 0.182303898 N/A 69.06670239 N/A N/A 32.84509882 0.151959227 N/A N/A N/A 0.494096808 1.395094695 0.555628288 0.366052339 0.214049712 5.360913349 N/A N/A 34.2272356 0.108822534 0.875907596 0.363719649 0.266902248 0.127039095 0.348034049 0.365060172 13.54327188 59.33426547 2.025226395 N/A N/A 0.420546572 4.934805323 93.02679043 17.41557867 12.64774208 26.64218397 28.59157161 N/A N/A 0.907028472 N/A 0.307959887 70.01157936 18.41192513 20.74427517 N/A 1.170074723 0.258309504 17.07996621 N/A N/A N/A 54.42331339 2.155621631 2.096034361 N/A 5.9909683 24.32481301 1.520700642 N/A 0.367322181 0.919262857 N/A 2.186805342 1.864204138 0.291594376 22.99786409 1.408042873 0.620780882 N/A 1.158846195 0.649677389 15.75415859 0.309653656 5.411341626 N/A 73.20566051 2.861844265 31.19163686 14.47415037 N/A 55.01703625 39.59412308 14.78955653 N/A 14.33821629 27.30872634 25.50020535 9.810840681 10.17802806 217.876699 N/A N/A 6.210773904 N/A 21.86917961 N/A 7.815972969 N/A N/A N/A 5.256331336 N/A N/A N/A 75.13179467 0.589633899 N/A 6.790680213 N/A 20.95738319 4.111865214 N/A 35.03015579 8.532830855 15.32785394 29.81187749 18.31883564 N/A 0.264732395 N/A N/A 0.380001796 29.70032393 31.21387655 N/A 0.643192227 38.6970648 0.860600987 N/A N/A 33.45787684 50.22639657 N/A 0.845900037 14.52628572 101.0536101 17.48654031 20.08166251 3.875009441 14.16427807 17.91784282 33.09258383 25.9025649 78.75852032 45.06374257 33.45126113 N/A N/A 24.11601599 11.06115433 N/A 8.604179066 18.5109657 21.6525601 94.98441659 13.18864408 2.619748761 15.21970843 23.12329471 21.11561971 N/A 32.38622629 16.74408121 6.57232044 22.64291577 15.82855484 2.3896606 15.23768515 0.235227413 85.97650398 21.77434117 N/A 23.52316621 70.13527877 71.69997305 64.06947227 57.72883024 37.57017392 N/A 20.67174038 27.24320639 N/A 37.3920216 11.62413864 N/A N/A N/A 23.47875809 N/A 0.747976391 0.703160026 23.98163251 9.060981637 N/A 33.0958591 11.06208873 13.07043208 13.24517969 TUDCA 0.082666347 N/A N/A 2.032041152 0.12329235 0.305420321 0.088563709 0.870282585 0.481926473 N/A 0.337553639 N/A 0.143636042 0.141861403 0.252586875 N/A 0.177201593 N/A 0.120104591 0.098426526 0.970474186 0.193304314 N/A 0.706710461 0.423253171 0.127565952 N/A N/A N/A 0.318509195 1.108020173 0.224987497 N/A N/A N/A 0.14314959 0.159771461 N/A 0.145792077 0.085314216 N/A 0.534374384 0.582100618 0.13553128 N/A N/A N/A 0.129377515 0.142423804 0.205038674 N/A N/A 3.398501635 N/A N/A 0.226888506 0.712090444 N/A 0.418349638 0.104737503 N/A 0.187560617 0.217244399 N/A N/A 0.288888956 0.258804204 N/A 1.76083398 1.298808394 0.370438334 N/A N/A N/A 0.195012935 N/A N/A N/A 0.626187641 N/A N/A N/A 0.104343165 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.340643971 0.254485165 N/A N/A N/A N/A N/A N/A 1.247997577 N/A 1.901943409 N/A N/A N/A N/A N/A 0.428160708 0.458127861 N/A N/A 0.272090156 N/A N/A N/A N/A 0.736266799 0.710103935 0.167512837 0.230400369 0.402722479 0.185125836 0.290461111 0.602794608 0.140076403 0.106760956 0.130261454 0.048888403 0.176117372 0.146562381 0.108357031 0.762786228 0.345160457 0.571489538 0.324444802 3.357788077 0.046158066 0.073211261 0.094368173 0.062161901 0.310602887 0.455695339 N/A N/A 0.22503351 0.232651935 N/A 0.375540889 0.318146554 0.120247672 0.512874672 0.587525629 0.75126976 0.79724743 0.602973762 6.818483276 N/A 0.569444177 0.177575115 0.174013332 1.903181281 0.143867934 5.928141243 N/A 1.0271974 0.939031302 N/A N/A 0.140602292 0.521426962 0.183713287 N/A 0.176822775 1.939193545 5.095577525 0.228584728 0.154390921 3.823682735 N/A 1.427356999 0.075706314 2.073300205 0.315587628 1.461955522 1.035656908 0.197418976 1.64264117 4.978243708 0.258282793 0.313157469 0.250797373 0.162903969 1.407343351 0.403175725 0.25462265 0.255896523 0.197845599 16.28811435 1.751158943 N/A 0.452276763 0.230980369 1.035308265 0.36307868 N/A N/A 0.345551243 0.229541028 0.335183348 N/A 0.647969153 N/A 3.037158314 1.781606243 N/A N/A 0.082986882 0.294927514 0.420232519 0.078530789 N/A 2.060891992 N/A 0.369888757 0.305745535 0.903550853 6.281790751 N/A 4.239683638 3.458999609 0.281190574 12.87980288 1.026963458 1.080416893 N/A 3.807142119 N/A N/A 0.101703956 17.3731533 0.777780157 1.33035599 0.249142737 1.563076227 0.909570459 N/A 0.345163431 1.720857541 1.894046573 N/A 1.674347229 3.677821851 3.238686285 0.43168678 6.329596459 0.47261211 0.367925776 1.16144424 3.368446509 1.564345342 0.219485755 1.410953149 0.120496289 0.173870048 N/A 0.926176924 N/A N/A 5.138161215 1.365973849 0.810632964 2.076253697 0.530663717 0.634556236 4.662470417 0.178442849 0.294574515 N/A 0.951007532 2.054408997 8.844774945 1.250236522 0.544718122 17.24900746 1.098618133 0.150238426 4.62269918 1.046875194 N/A 3.420696205 0.174437034 30.55599894 12.07793119 1.270681147 0.696966013 0.306110253 30.4135829 0.328937907 N/A 1.621282949 2.23236443 1.162405264 0.153081732 0.368130062 0.436611141 1.576293619 0.454389539 2.85760997 0.551182055 3.781075245 0.289335794 1.180579119 0.53019526 0.563332121 N/A TCDCA 1.07049299 0.869824022 1.183305528 11.36782814 1.043198426 1.184854423 0.665139865 7.614454365 3.134853729 0.791727354 1.231936066 0.899706729 2.193700365 1.246338538 5.113200698 1.284071376 2.179892223 0.464859004 0.623857481 0.493769587 16.24353485 0.724055826 0.27791816 8.614149671 2.310447298 0.682723883 1.247648316 0.708181863 0.682588468 2.658183798 5.850526702 1.578796296 0.187194346 0.346458787 1.130074566 1.453567558 1.016438217 0.032213796 3.014425284 0.68011388 1.657676797 2.106723641 3.498783495 1.317012071 0.261066582 0.0089167 0.251631981 5.163032754 1.140558214 4.910479874 1.103502805 0.479085373 11.22752977 0.403157522 0.293686563 0.543747943 5.127503232 1.33483297 1.870158635 0.746626345 2.175119069 1.493595771 9.348699338 0.956739425 0.035089038 1.065567037 1.340542024 0.194377969 9.384680229 7.96247564 3.155019909 1.059642704 0.316930365 0.223471101 0.669631068 0.356936142 1.769040332 0.170169338 6.887147366 0.293838193 0.527496357 1.052645501 0.588871915 0.482452561 1.142341986 0.533518866 2.112586191 0.353229987 0.670530364 0.578429567 0.632349984 0.293389512 N/A 0.288767412 0.674932791 0.949735784 0.623045322 0.15318923 1.379704226 0.181039029 1.989211696 1.574407261 0.434601221 1.394803079 0.560377272 0.966194359 0.402166739 0.145394713 0.285653583 2.28187885 0.68215028 4.677031186 0.289967944 30.91674128 0.848168664 1.673952438 1.896232747 0.312673293 0.72470931 3.070563843 1.889094237 1.14583695 1.369390017 0.889012721 0.750162627 0.520945018 0.21957889 0.202595902 1.780605302 1.701240591 1.220362676 3.50609842 1.480183032 0.391398828 1.822660169 2.742370513 1.226295325 0.516148077 3.021907459 1.515403703 0.963280242 0.800471272 1.106182926 4.639263617 1.911874767 4.647685446 1.557330632 6.450266993 0.41876326 1.207165197 0.360270157 0.779670812 0.539950698 1.624515826 1.398398482 5.744259284 3.024623596 2.7551238 2.516751252 14.35712259 6.425760365 6.198500206 46.35944072 10.09104835 3.097647425 7.457814339 9.73023049 51.55957912 4.103258863 4.05475461 2.637112374 4.057112604 6.33575986 1.920784066 24.41199811 1.210359374 5.100574101 6.807066832 1.218810941 1.937825105 1.88608366 2.184000499 1.576440231 0.652031738 2.80177953 253.939363 219.8283126 11.1153299 2.961523723 29.90455678 1.84918906 40.09892926 8.985713532 10.47913042 7.879591143 21.14222825 48.85462717 6.832938732 120.3100367 62.44752814 5.472504565 2.508337657 3.089185282 3.308894836 4.898999957 3.961792591 3.040547161 8.537171922 2.833713541 79.65021096 8.243296893 0.675685784 3.479089779 1.400301263 7.257208787 7.43206641 0.901691967 0.064546473 1.158463901 1.87143013 2.009369111 2.955321371 5.088066935 3.325731013 29.90957733 6.537909745 3.951155114 0.849762288 2.543720635 3.341754198 6.823344252 1.913490104 7.109326236 3.950266224 1.109834165 2.494186609 2.742924164 12.59224354 29.89522135 1.926548135 15.66843307 273.528292 2.149849971 27.8973154 16.41217233 5.951086006 0.805495832 61.95043091 2.404083629 0.391651793 1.607991118 71.83318068 3.28067108 4.056479371 4.141776965 11.64706068 5.907390928 3.376242118 33.20098782 8.990758726 65.53709346 1.106956494 26.26240321 18.66038794 12.08467791 4.254264644 87.32193172 9.552294019 5.744509729 3.957367773 14.23388981 7.519408776 3.527013906 11.21951236 3.452433082 3.160463343 3.728038432 2.774877089 7.943325908 1.023764508 15.74025735 13.45876493 7.505157509 7.050085065 5.406406684 6.075015645 24.60248468 3.944812638 1.808794679 1.970672087 7.498933324 7.996511349 158.4872461 19.13487352 4.063173192 96.0239418 8.522146539 3.832943877 24.86595828 7.009347635 6.270561294 49.47292141 5.812315363 160.8130144 20.12867054 8.812285473 6.816246072 9.325923999 82.39039473 2.24697252 0.527392093 22.69853224 8.798444432 2.83994131 1.224016723 5.668692288 4.706677544 11.44977929 6.104127903 34.11554154 4.879984082 8.988984449 3.164398013 13.75777815 5.952259929 4.183989141 2.641989692 TDCA 0.328183565 1.454390842 0.952376605 4.282223584 0.32758521 0.895376114 0.702282547 2.424955165 0.69149917 1.080805129 0.397760034 1.007543698 5.807768694 0.761391 1.371213065 0.505150334 1.07370113 0.165123797 0.259974045 0.262483192 24.45826503 0.701817268 0.207164551 2.299373201 1.031909863 0.507475922 1.28802298 0.956059919 0.573665475 7.546022328 1.382497914 0.440863839 0.171746927 0.450249307 1.776203309 0.963034044 0.374566595 0.382886886 0.916641887 0.277124414 0.904929396 0.421651262 3.56832083 1.125670565 0.402397277 0.513174956 0.834833131 0.929320455 1.649327491 1.590047939 0.150259433 0.7292388 6.183669955 0.410240868 0.693688303 2.184266087 2.549638596 1.554292648 0.675779378 0.432799916 0.90978592 1.25767596 2.460646527 0.355324261 0.169183624 1.051724268 0.232798156 N/A 0.56363873 0.531046825 0.234819451 0.317639055 N/A 0.295845461 0.950280425 0.25341499 0.587925842 0.161436805 2.088802599 0.826402959 0.409311673 0.273669792 0.880160239 0.326103424 0.55143383 0.264939746 1.566453855 0.228387916 0.322390978 0.775806758 0.62530778 0.514213485 0.21451219 0.452992879 0.616503528 0.59941884 0.625524726 0.972862514 1.025234437 1.360595702 N/A 0.422793007 0.212708794 N/A 0.165610545 2.236114665 0.065616468 0.142639416 0.310702077 1.884732932 0.774086091 2.085905804 0.190082335 0.625228595 0.426097369 0.762059623 2.092469823 0.510717762 0.625342288 1.597217163 1.233794682 0.547768047 1.266267259 1.801020165 0.750179489 0.718840199 0.569366684 0.781100677 0.478772598 1.452013111 0.77578481 1.919211279 0.441444215 11.15017772 0.950026101 0.998434302 1.247853 1.010572052 9.226337931 0.539418322 0.748084667 0.677417951 0.355143134 1.04223556 3.475418805 1.046810592 1.138863844 1.42923143 1.061797942 0.842175402 0.331875541 1.294562335 0.987988777 1.093481094 0.359890976 5.491715757 1.687227068 0.803726453 1.427071494 4.814416482 25.48475561 1.002317458 26.34548498 0.797970138 2.208925533 0.752404066 2.5355457 5.98652374 4.992939137 0.368157985 0.271190678 2.224605783 0.047121904 1.903187227 5.084968869 0.833599579 4.486835664 1.429710352 0.739641451 1.32078462 0.72821535 1.037199986 3.655309785 0.227067005 1.089641462 41.10310814 49.73691008 4.616056327 0.943859852 6.460725239 1.251302868 3.871337131 2.804506666 4.528835601 2.652532981 18.38610335 33.77850573 2.414086735 33.52071936 8.327936984 0.091504382 1.65764596 1.160831141 1.53711399 0.056113668 0.617753803 1.366207152 2.650520594 1.516925344 8.473780122 0.300003573 0.795680874 0.611127693 0.862807079 1.2215603 2.322805801 0.786136943 0.039427847 0.704800544 0.976228166 0.445484294 0.273148881 1.253893633 0.83760789 0.983900847 4.294190828 1.905194233 0.5698345 0.466422604 2.12746415 2.163753564 1.288259794 10.54376612 N/A 0.78105201 1.40947154 0.677694154 3.87886865 6.541120979 1.375207694 3.617077869 53.7637298 0.967695109 39.72465175 5.800390115 N/A 0.027056191 29.56217196 0.950514241 0.474462749 1.092857434 20.5614655 1.129073415 0.55961504 0.772796381 N/A 0.862266306 0.616468185 27.52240533 3.34795552 13.16898629 0.753803715 6.228983186 N/A 0.218647568 10.8764964 19.69234886 3.478243922 2.7460217 0.534364563 N/A 4.079925761 1.407313785 3.083065572 3.568502303 2.129469438 1.441475174 3.461228917 5.072128159 0.988181264 2.481098529 6.413535178 0.326698434 1.290487458 1.748679821 0.395795923 43.18505446 2.750303795 1.092040793 1.399528128 0.152069703 4.348125779 0.206187789 1.447827867 0.049299145 8.450159371 0.747006899 1.898251206 50.37526265 2.160555077 4.113943607 21.40525768 22.69793084 214.236023 N/A 1.466129306 5.315954994 2.93497768 7.887957397 0.483008813 0.279857333 N/A 2.125251573 0.609166025 0.537668365 4.855622194 0.064155835 7.302749793 2.459463472 23.53412151 1.985126054 1.211122084 1.255980916 1.950884214 0.34376433 N/A 0.954305379 TCDCA-d4 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A T-αMCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.104633454 0.167460399 N/A 0.159402615 N/A 0.162926924 N/A N/A 0.12841131 N/A N/A N/A N/A N/A N/A 0.111669038 N/A 0.090087657 N/A 0.214289206 N/A 0.105495738 N/A 0.088721305 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A T-βMCA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.164209001 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.162432305 N/A N/A N/A 0.098398513 N/A N/A N/A N/A N/A N/A N/A N/A 0.035603582 0.053584787 N/A N/A N/A N/A N/A 0.065983401 0.055957192 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.291759195 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A TCA 0.575032093 0.285185325 0.276630883 5.895384832 0.361441459 0.491218197 0.342390079 1.267708016 0.825693143 1.035227848 0.465812593 0.821607411 1.305479409 0.389657691 1.693498505 0.50709833 0.638306339 N/A 0.240454565 0.220708515 18.73156887 0.40131843 N/A 1.475412534 1.131340281 0.387922238 0.504186167 0.613673669 0.410632014 1.078846753 2.181787584 0.309795268 0.204315615 N/A 0.57752108 0.467341865 0.394725883 0.219715893 1.251588343 0.210693409 0.531279185 0.398745636 1.137236289 0.608793122 N/A N/A 0.228357224 0.773806497 0.501997977 0.830334665 0.361701125 0.718379778 10.94220236 0.417565814 0.178627994 0.294935663 6.076914512 0.947057709 0.662720468 0.325280292 1.570331428 0.846099905 3.802667267 0.489276499 N/A 0.572778745 0.269806173 0.301193038 0.592964945 4.664133962 0.96003137 0.349180233 N/A N/A N/A 0.246931041 0.452577591 0.454150143 4.721506026 0.340630103 0.892285031 0.833288025 N/A 0.430856531 0.251982828 0.43929403 0.555837198 N/A 0.374174002 0.300135445 0.306695972 0.397002617 N/A 0.279443118 N/A 0.469504774 0.904507005 0.329595399 0.800479788 N/A 0.489941732 0.60042896 0.335853488 0.598615638 0.276016265 0.489821059 0.373079746 N/A N/A 1.834563061 1.018114475 2.236209727 N/A 8.601474632 0.512367341 0.498341249 0.592104898 0.358094184 0.354680215 2.589590526 0.654765186 1.08605182 N/A 1.216403759 0.258723859 0.270179992 0.334734855 N/A 0.96780154 0.912189014 1.508354952 1.790700774 0.698595809 0.542290679 0.610538576 2.124717995 1.623604488 0.820030833 2.035508021 0.815245921 0.544986584 0.588586804 0.662728493 0.772261191 0.972268988 2.339991128 1.329963626 1.803614466 0.540749443 0.5164361 0.348061732 1.370106605 0.633875979 1.164234854 0.562904423 3.471513474 3.554527715 1.053506021 1.075252423 5.257426182 4.968182071 2.068492226 38.35159322 1.325897156 1.418583504 2.760812708 7.358590215 19.04322308 1.155429133 1.575982404 0.618121475 3.916940929 4.808671359 1.818659992 16.56203335 1.809698593 3.538285142 2.700996647 0.58414 0.831809154 0.546597957 2.286845445 2.710822495 0.231884932 1.205293143 197.6835657 80.45818611 3.679505228 2.780599127 32.35886796 1.052608087 28.1723507 4.732458551 6.019163171 8.234414256 18.40743725 56.99880765 6.161172546 163.088059 54.38583695 1.031511238 1.998285922 1.528628224 2.125266494 3.531659036 1.613270987 0.885546352 2.992664921 1.385781923 76.97340065 2.7448895 0.264498419 1.207132945 0.713332564 3.761492436 1.082494619 0.399140213 N/A 0.654329985 1.043506112 0.845249334 1.232488156 2.910517474 1.221681522 1.678129813 1.408998778 2.304867193 0.430392808 0.982782879 1.051087224 3.055119768 1.054955705 11.99901518 13.82971188 0.53252267 0.926614509 1.46301352 15.48147279 23.5838267 1.546871649 1.724553386 275.865542 0.548554467 22.44002684 5.671108627 1.877640852 0.340595303 29.37490796 1.768898825 0.967337443 0.863826213 73.1603395 6.193690552 1.795853065 3.5329526 2.670361523 1.403739196 1.487079557 26.12735461 3.274552008 51.99843404 0.801608514 11.98019717 2.712311844 61.49866416 5.645553333 125.6247976 3.023969042 2.691025703 8.229875759 5.942075804 6.568062751 3.162343347 6.784866007 1.568359491 1.497708624 1.576927795 1.602287966 3.763867547 0.696242344 24.71705803 24.71219483 2.019382471 1.865703622 2.943675826 2.710352962 118.4742441 2.557798601 0.580043957 2.830961264 3.57706227 9.617096309 160.2138596 5.29011934 1.877594883 32.43976973 2.281790851 1.796889168 285.7266664 3.509975798 4.526116171 139.8432929 9.423876485 528.9735955 9.154050651 2.355427962 2.74209971 5.130659679 363.9978121 0.299014777 0.277941486 23.68666308 3.351477341 0.514813343 0.677901151 2.270875197 3.979639597 6.016998998 3.732338608 59.85225013 5.139143682 6.615003158 1.436309393 4.675600765 4.006365689 3.879798053 1.95110981 TLCA-3S 0.247285525 0.309719041 0.292140103 0.752589987 N/A N/A 0.108375436 0.199749542 N/A N/A 0.41995667 N/A 0.987856587 4.803085338 0.294707435 N/A N/A 0.396816217 0.118740013 0.532333572 1.076434664 N/A N/A 0.487822034 0.869314639 N/A N/A 0.139242836 N/A 0.214119313 4.094476229 0.368409948 N/A 0.257620823 0.11319144 1.218677603 0.128743225 N/A 0.116740762 0.222735451 0.184549526 0.768626408 1.268155688 0.237738463 0.25778945 N/A N/A 0.247488871 0.124215756 0.414131046 N/A N/A 1.74829984 N/A N/A 0.803932492 0.61819162 N/A N/A 0.131218808 N/A 0.277145293 0.470512051 N/A N/A N/A N/A N/A 1.820276458 N/A N/A N/A N/A N/A 0.912618109 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.561928706 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1.100983513 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1.990669481 N/A 1.774093614 N/A N/A 0.507261214 N/A N/A N/A 0.750788432 N/A N/A 0.82328554 N/A N/A N/A N/A N/A 0.668389742 0.237578384 0.252029682 0.226070876 N/A N/A N/A N/A N/A 2.134204554 N/A N/A N/A 0.276833701 2.089540493 N/A 4.377256882 0.334937755 0.623296144 N/A N/A N/A N/A N/A 0.762311259 N/A 1.636760324 N/A N/A N/A 0.50518226 3.437952052 N/A 3.11057464 11.11250353 2.739204608 N/A 0.24639128 1.513767121 0.214645071 0.248379465 0.426480419 1.9825545 0.184668136 0.210373079 0.358530878 N/A 0.462956081 0.243843901 0.152462537 N/A 0.287343898 0.671415379 0.254647582 0.20463309 0.655316431 12.27413117 15.02929876 0.659062166 0.281506631 0.216959488 0.716383709 1.10086983 0.49772294 0.469489481 0.217917293 1.34493049 0.511858526 0.456348467 1.6226986 0.699578443 N/A N/A 0.440803124 0.302576475 N/A 0.104173614 N/A 1.033214066 N/A 0.714780175 1.130374512 N/A N/A N/A N/A 6.189802542 N/A N/A N/A 0.913032715 N/A N/A N/A N/A 0.662824986 N/A 0.963435385 N/A N/A 0.85705528 N/A N/A 1.22638143 N/A N/A N/A N/A 1.175017814 N/A N/A 7.666870846 3.663553944 N/A 0.682317612 N/A N/A N/A 2.312595409 N/A N/A N/A 14.75974427 1.409025224 N/A N/A N/A 0.667707286 N/A 0.949566107 0.524070027 3.285099157 N/A 5.818846568 0.315827113 N/A 0.230219282 5.433995942 1.196096158 0.563038563 N/A N/A 0.441118497 N/A 0.234323995 4.424694289 0.89022542 0.447594433 0.561375389 0.206668554 0.452771868 0.3594186 0.268614461 N/A 0.226622092 0.180757098 N/A 3.454027799 N/A N/A N/A N/A 6.045201489 N/A 1.108075727 N/A 2.647478592 0.746610289 0.996813848 5.318874689 0.632486625 N/A 6.750398281 2.631536057 25.26885859 N/A N/A N/A 2.180557409 0.524037765 N/A N/A N/A 0.110787525 N/A N/A 1.817225093 N/A 1.283444234 N/A 1.212205329 N/A 0.646592341 0.555373468 0.751600253 N/A N/A 0.530995925 TCA-3S N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1.044289646 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.28450477 N/A N/A N/A N/A N/A N/A N/A 0.29464519 N/A 0.174657073 N/A N/A N/A N/A 2.429542899 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.107577311 0.661639592 N/A 0.14228646 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.137477998 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.12848735 N/A N/A N/A N/A 0.823041078 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.463217021 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.455156132 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 11.4577345 0.247000201 2.856039191 N/A N/A N/A 2.99465196 N/A N/A N/A N/A N/A N/A N/A N/A N/A 0.521040208 2.065810424 N/A N/A 0.188541335 N/A 1.852432092 N/A N/A N/A N/A 0.498765544 0.430157642 N/A N/A 1.986621512 N/A N/A 11.19908444 N/A N/A 2.109865349 0.839957951 10.4968444 N/A N/A 0.660668621 N/A 2.661509263 N/A N/A 0.34886654 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID Retention Time (min) 12-oxoDCA 3080612 22.96 3-oxo-Δ4-CDCA 193493 20.66 3-oxo-Δ4-LCA 5283990 29.42 3-oxo-Δ4,6-LCA 5283992 27.76 3-oxoalloLCA 5283907 33.41 3-oxoCA 5283956 18.43 3-oxoCDCA 5283932 26.53 3-oxoDCA 160738 26.81 3-oxoLCA 5283906 34.21 7-oxoCA 188292 13.89 7-oxoCDCA 444262 22.34 alloCDCA 5283827 28.9 alloLCA 5283803 35.5 CA 221493 22.04 CA-3S 465402 12.03 CDCA 10133 28.53 CDCA-3S 21252312 18.84 CDCA-d4 16217615 28.48 CDCA-d4-3S 18.79 DCA 222528 29.33 DCA-3S 22833601 19.56 GCA 10140 12.58 GCDCA 12544 19.57 GCDCA-d4 129010197 19.54 GDCA 3035026 21.34 HCA 92805 18.99 HDCA 5283820 21.81 isoalloLCA 94228 31.19 isoCA 5283870 13.68 isoCDCA 164673 23.03 isoDCA 160530 23.09 isoLCA 164853 31.82 LCA 9903 35.12 LCA-3S 451489 24.88 MDCA 5283821 17.13 T-αMCA 168408 6.09 T-βMCA 21124703 6.36 TCA 6675 13.02 TCA-3S 14454428 4.52 TCDCA 387316 19.97 TCDCA-d4 19.87 TDCA 2733768 21.6 TLCA 439763 26.81 TLCA-3S 440071 12.19 TUDCA 9848818 10.24 UCA 122340 9.76 UDCA 31401 20.08 UDCA-3S 9826093 10.05 αMCA 5283852 14.09 βMCA 5283853 15.01 Δ5-3b-ol 92997 29.59 ωMCA 5283851 13.46 METABOLITES_END #END