#METABOLOMICS WORKBENCH wpathmasiri_20140314_9548041_mwtab.txt DATATRACK_ID:66 TEXT OUTPUT STUDY_ID:ST000034 ANALYSIS_ID:AN000054 PROJECT_ID:PR000025 VERSION 1 CREATED_ON 10-02-2015 #PROJECT PR:PROJECT_TITLE Metabolomics Involved in Early Life Antibiotic Exposures PR:PROJECT_TYPE Obesity modeling of antibiotic exposure PR:PROJECT_SUMMARY The project Metabolomics Involved in Early Life Antibiotic Exposures profiled a PR:PROJECT_SUMMARY total of 90 samples from five sub-studies (DuraSTAT, TranSTAT, NOD, EstroSTAT PR:PROJECT_SUMMARY and VG STAT) which included a total of four sample matrices (urine, serum, liver PR:PROJECT_SUMMARY tissue and cecal contents). Within each sub-study, there were three sample PR:PROJECT_SUMMARY matrices except for VG STAT, for which there was only two. For each matrix type PR:PROJECT_SUMMARY within each sub-study 6 samples were analyzed for a total of 18 samples per PR:PROJECT_SUMMARY sub-study (9 of each in VG STAT), the samples were equally divided into PR:PROJECT_SUMMARY STAT/PAT-treated (sub-therapeutic antibiotic treatment (STAT) and therapeutic PR:PROJECT_SUMMARY dose-pulsed antibiotic treatment (PAT)) collected at various time-points versus PR:PROJECT_SUMMARY untreated Controls for each matrix. PR:INSTITUTE New York University PR:DEPARTMENT School of Medicine PR:LABORATORY Blaser Laboratory PR:LAST_NAME Blaser PR:FIRST_NAME Martin J. PR:ADDRESS 550 First Avenue, BCD 690, New York, NY 10016 PR:EMAIL Martin.Blaser@nyumc.org PR:PUBLICATIONS Cho I, Blaser MJ. The human microbiome: at the interface of health and disease. PR:PUBLICATIONS Nature Reviews. Genetics 2012; 13; 260-270 PR:PHONE - #STUDY ST:STUDY_TITLE Metabolomics Involved in Early Life Antibiotic Exposures(NOD-Serum) ST:STUDY_TYPE Metabolomics ST:STUDY_SUMMARY In the NOD sub-study, a total of 18 samples from 6 week old, male NOD/ShiLtj ST:STUDY_SUMMARY mice; comprised of 6 serum samples, 6 cecal content samples and 6 liver tissue ST:STUDY_SUMMARY samples were analyzed. Three mice/matrix were exposed to PAT and 3 mice/matrix ST:STUDY_SUMMARY were non-exposed Controls. The mice were housed with SPF (Helicobacter neg/MNV ST:STUDY_SUMMARY neg) bedding and fed a normal diet. ST:INSTITUTE RTI International ST:DEPARTMENT Systems and Translational Sciences (STS) ST:LABORATORY NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC) ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:EMAIL ssumner@rti.org ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 6 ST:STUDY_COMMENTS NOD_Serum Study ST:PHONE - ST:ADDRESS - #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN NOD/ShiLtj SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Jackson Laboratories SU:ANIMAL_HOUSING SPF (Helicobacter neg / MNV neg) SU:ANIMAL_FEED normal chow SU:SPECIES_GROUP Mammal #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - SNC111 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SNC140 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SNC141 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SNP124 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - SNP126 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - SNP127 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - SPL101 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - SPL102 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - SPL103 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - SPL201 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - SPL202 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - SPL203 Treatment Group:Pool QC #COLLECTION CO:SAMPLE_TYPE blood CO:COLLECTION_TIME 6 weeks CO:BLOOD_SERUM_OR_PLASMA serum CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY Three mice were exposed to PAT and 3 mice were non-exposed controls. PAT= TR:TREATMENT_SUMMARY therapeutic dose-pulsed antibiotic treatment. TR:TREATMENT_COMPOUND PAT #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen serum study samples were thawed on ice and vortexed for 30 seconds. SP:SAMPLEPREP_SUMMARY Aliquots of 50/100 µL (sub-study dependent) were transferred into BSI-labeled SP:SAMPLEPREP_SUMMARY eppendorf tubes. Purchased mouse sera (Sigma #S7273) was also transferred into SP:SAMPLEPREP_SUMMARY three BSI-labeled eppendorf tubes (50/100 µL) for QC samples during analysis. SP:SAMPLEPREP_SUMMARY Freshly prepared 0.9% Saline (wt/v) solution in 10% D2O, was added to each tube SP:SAMPLEPREP_SUMMARY (150/100 µL) and they were vortexed for 30 seconds. Freshly prepared 10 mM SP:SAMPLEPREP_SUMMARY Formate solution containing 2% (wt/v) NaN3 was added to each tube (50 µL) to SP:SAMPLEPREP_SUMMARY serve as internal standard and they were vortexed for 30 seconds again, then SP:SAMPLEPREP_SUMMARY centrifuged at 12000 rcf for 5 minutes at 4 °C. A 200 µL aliquot of the SP:SAMPLEPREP_SUMMARY supernatant was transferred into 3 mm NMR tubes (Bruker-Biospin, Germany), which SP:SAMPLEPREP_SUMMARY were kept on ice until data acquisition. SP:SAMPLEPREP_PROTOCOL_FILENAME NOD_Serum_Metabolomics_Procedure.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:LABORATORY_NAME RTI/ DHHMRI AN:ANALYSIS_TYPE NMR AN:ACQUISITION_DATE 41527 AN:SOFTWARE_VERSION Top Spin 3.2 AN:OPERATOR_NAME Wimal Pathmasiri/ Kevin Knagge/ Jason Winnikie AN:DETECTOR_TYPE NMR AN:DATA_FORMAT NMR #NMR NM:INSTRUMENT_TYPE Bruker Avance III NM:NMR_EXPERIMENT_TYPE 1D 1H NM:FIELD_FREQUENCY_LOCK Deuterium NM:STANDARD_CONCENTRATION 1.0 mM NM:SPECTROMETER_FREQUENCY 700 MHz NM:NMR_PROBE cyrogenically cooled ATMA inverse probe NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 5mm x 4inch NM:SHIMMING_METHOD topshim NM:PULSE_SEQUENCE cpmgpr1d NM:WATER_SUPPRESSION presat NM:PULSE_WIDTH 14.84 us NM:POWER_LEVEL 25.704w NM:RECEIVER_GAIN 4.5 NM:OFFSET_FREQUENCY 3300.70 Hz NM:CHEMICAL_SHIFT_REF_CPD Formate NM:TEMPERATURE 298.1 K NM:NUMBER_OF_SCANS 512 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 2.3243434 NM:RELAXATION_DELAY 2 s NM:SPECTRAL_WIDTH 20.1358 NM:NUM_DATA_POINTS_ACQUIRED 65536 NM:REAL_DATA_POINTS 65536 NM:LINE_BROADENING 0.5 NM:ZERO_FILLING yes NM:APODIZATION lorentzian NM:BASELINE_CORRECTION_METHOD polynomial NM:CHEMICAL_SHIFT_REF_STD Formate NM:INSTRUMENT_NAME Bruker Avance III #NMR_BINNED_DATA NMR_BINNED_DATA:UNITS Peak area NMR_BINNED_DATA_START Bin range(ppm) SNC111 SNC140 SNC141 SNP124 SNP126 SNP127 SPL101 SPL102 SPL103 SPL201 SPL202 SPL203 0.50...0.56 0 0.0011182 0 0 0 0.0027568 0 0.013812 0 0.56...0.61 0 0 0.002357 0 0.034944 0 0 0.011242 0.013279 0.61...0.63 0.008565 0 0 0 0 0.020655 0.052398 0.0030358 0 0.63...0.67 0 0 0.0028491 0 0.021224 0 0 0 0.00018778 0.67...0.71 0.038504 0.01898 0.0054951 0.0044363 0.023886 0.060553 0 0.0074007 0.0090387 0.71...0.73 0.024208 0.0050476 0.046451 0 0 0 0 0.0001336 0 0.73...0.76 0.76891 0.80666 0.55215 0 0.027606 0.31817 0.072418 0.019712 0 0.76...0.78 0.35946 0.57182 0.27763 0 0 0 0 0 0 0.78...0.80 0.63736 0.93728 0.42709 0.95548 0 0.030788 0 0.10407 0.124 0.80...0.82 2.852 3.1864 2.5703 5.9727 1.3284 1.4379 0.91928 0.84342 1.036 0.82...0.86 42.537 35.325 35.309 40.219 42.671 39.77 9.223 8.9446 9.2747 0.86...0.91 35.279 31.181 32.65 45.98 49.595 53.679 16.11 16.828 16.252 0.91...0.97 24.03 20.23 22.911 22.213 28.65 26.604 27.661 26.533 26.308 0.97...1.02 8.3718 6.2902 7.7059 5.5048 9.2482 8.4563 9.7196 10.779 9.6784 1.02...1.08 5.1717 4.5085 4.2474 5.2751 5.4511 5.535 6.9052 7.2156 7.0435 1.08...1.10 0.30834 0.55362 0 2.1395 0.063544 0.06908 0 0 0.15301 1.10...1.12 0.41732 0.81227 0 3.3239 0 0.18482 0.041436 0 0.059622 1.12...1.15 0.86055 1.6322 0 8.7796 0 0.16897 11.404 10.348 11.867 1.15...1.21 35.696 55.682 35.022 94.157 81.578 57.748 55.191 50.973 51.838 1.21...1.23 10.559 9.0586 8.0485 18.079 9.4127 9.968 3.5977 3.7422 3.5221 1.23...1.25 18.21 15.95 14.571 30.648 19.163 18.835 5.5365 5.3172 5.5074 1.25...1.31 116.25 107.4 106.06 193.65 164.02 183.6 38.813 36.711 38.842 1.31...1.37 112.62 112.03 113.99 91.198 112.03 112.17 267.82 262.58 255.62 1.37...1.42 5.2011 0.98844 2.4016 1.0511 1.5279 6.0166 7.1094 16.059 8.8874 1.42...1.45 2.0068 0.62402 0.77241 0 0 2.1243 2.2972 5.5518 3.6979 1.45...1.51 6.3727 4.0768 3.7795 1.359 2.3994 5.8775 23.768 28.597 25.886 1.51...1.53 0.9817 0.32414 0 0.43055 0 1.1946 0.3263 3.1626 2.1843 1.53...1.59 10.067 8.4776 6.9551 14.552 13.782 18.614 1.241 7.7446 6.6679 1.59...1.62 1.5133 0.66583 0.13869 0.73359 1.102 2.2079 0.11973 2.9487 3.4927 1.62...1.65 1.6133 0.92723 0 0 0 1.7501 0 2.0313 2.661 1.65...1.69 2.1767 1.5015 0.43889 0.17529 0.76479 2.0924 1.5492 2.639 2.6803 1.69...1.74 5.2284 4.0819 2.704 2.2802 4.3455 4.8853 9.2197 9.943 10.253 1.74...1.77 0.89327 0.54587 0 0 0.64324 0.71854 5.5106 5.7415 6.6035 1.77...1.79 0.096242 0 0 0 0 0 0 0.25574 0.31259 1.79...1.83 0.78531 0.098384 0.1639 0.065034 0.23128 0.10546 0.47151 0.69081 0.9385 1.83...1.85 0.48284 0 0 0 0 0 0.45375 0.46473 0.76816 1.85...1.87 0.54375 0 0 0 0 0 0.73246 0.62235 0.93719 1.87...1.90 2.0754 1.2889 1.2624 0.34009 1.272 1.2046 4.2119 2.1077 3.1868 1.90...1.94 3.33 3.5385 3.7316 1.0414 3.1482 3.8339 59.631 54.65 54.336 1.94...1.96 0.87338 0.84733 0.78327 0.46417 1.1387 0.9565 1.9345 2.9605 2.1706 1.96...1.98 2.1313 2.1568 2.0401 2.5476 2.3873 2.2938 2.2884 2.7991 2.5594 1.98...2.02 17.367 15.212 15.332 20.41 20.77 21.314 9.5933 9.7759 9.7714 2.02...2.07 21.325 18.195 19.067 27.531 30.327 31.321 13.441 14.174 14.308 2.07...2.11 7.58 5.0082 5.6233 5.3565 6.082 5.5688 7.3135 7.4238 7.6475 2.11...2.17 6.8444 7.5241 9.0366 3.2665 6.6025 5.3829 7.2631 7.6328 8.1895 2.17...2.19 0.61589 0.54685 0.64768 0.59925 0.83491 0.72738 0.83259 1.0015 1.4644 2.19...2.21 1.3069 1.0841 1.0088 2.5085 1.084 1.3988 0.70543 0.8724 1.3616 2.21...2.27 12.503 11.383 11.714 19.836 19.588 21.712 9.3034 9.3008 11.298 2.27...2.32 8.1346 8.5958 9.6769 13.33 12.203 14.417 4.4797 4.4955 5.5674 2.32...2.38 4.3045 4.312 4.7152 3.6645 4.6339 4.1801 7.7471 7.1997 8.1623 2.38...2.43 10.067 12.148 13.599 11.534 9.0216 11.924 11.638 10.191 11.319 2.43...2.48 4.6492 4.4362 5.9415 2.3134 3.5612 2.8225 0 0.034899 2.0789 2.48...2.50 0.090827 0.21383 0.3054 0 0.039647 0.080701 0.14952 0.083498 0.42144 2.50...2.56 1.8507 2.5166 2.5615 1.0587 1.5622 1.4911 0.27932 0.11323 0.30463 2.56...2.59 0 0.068257 0.11293 0 0.024514 0 0.0074385 0 0 2.59...2.61 0 0 0 0 0 0.0045621 0 0.029576 0 2.61...2.64 0.37693 0.43675 0.44413 0 0.18597 0.28837 0.38639 0.62604 0.78018 2.64...2.66 0.22464 0.34036 0.38863 0 0.15683 0.27298 0.055825 0.40261 0.49162 2.66...2.68 1.388 1.4752 1.348 1.1893 1.1138 1.3162 0.16657 0.66994 0.66027 2.68...2.72 4.6943 4.0226 3.9504 7.3541 4.202 4.3391 0.55125 1.6899 1.8901 2.72...2.76 12.994 11.187 11.124 23.862 16.088 17.294 0.076459 2.2032 2.3857 2.76...2.80 11.383 10.344 10.106 19.895 15.656 15.627 0.36039 2.3508 2.3826 2.80...2.85 5.3168 6.0464 6.033 11.395 9.7265 9.8769 0 0.53229 0.54384 2.85...2.87 0.037751 0.01773 0.036633 0.23303 0 0.21988 0.33793 0.36646 0.52187 2.87...2.93 2.2324 2.2349 2.2504 0.098929 1.2795 2.8657 2.8976 2.9133 3.234 2.93...2.95 0.55968 0.57841 0.53689 0 0 0.87836 0.36011 0.38714 0.49392 2.95...2.98 1.4248 1.5812 1.5368 0.0032824 0 1.8069 1.3443 1.2232 1.4038 2.98...3.00 2.1578 1.9741 2.0208 0.055004 0.2897 2.1919 2.1325 1.9008 2.0385 3.00...3.06 6.733 6.0521 6.6036 1.4011 4.6997 6.9283 16.278 15.563 15.969 3.06...3.08 0.60376 0.1094 0 0 0 0.17368 0.49478 0.88308 0.64582 3.08...3.12 0.68769 0.6578 0.39234 0.1681 0.14138 0.64352 1.232 1.33 1.3708 3.12...3.16 1.2448 1.4529 1.0862 0.025459 0.61025 1.0193 5.1069 4.8953 5.1696 3.16...3.18 0.93637 0.75288 0.41653 1.7433 0.17935 0.63264 0.48687 0.32041 0.67757 3.18...3.24 48.389 45.687 48.599 45.287 42.026 38.82 19.739 17.294 19.018 3.24...3.29 25.46 28.532 32.058 10.009 17.95 14.876 76.989 73.221 72.477 3.29...3.34 1.055 0.5697 0.42494 0 0.072242 0.26322 0.90508 2.798 1.1103 3.34...3.37 1.9343 2.9768 1.4508 2.6123 4.5143 2.0011 0.78888 1.5774 1.0953 3.37...3.43 38.165 42.26 45.254 9.9433 16.866 14.577 6.4132 7.0067 6.4214 3.43...3.48 26.278 30.144 32.145 4.4319 8.8117 7.4986 0 0.25743 0.012907 3.48...3.51 13.781 15.583 16.898 2.1075 4.594 3.8104 0 0.078212 0 3.51...3.53 6.2057 7.2169 7.7492 3.0985 2.6186 2.439 3.1864 2.6425 3.0596 3.53...3.59 18.528 20.012 21.918 17.142 15.502 13.693 23.24 21.798 21.127 3.59...3.63 4.9841 4.9431 5.3795 6.975 5.3063 5.0108 7.0065 6.9023 6.7522 3.63...3.69 21.321 30.406 22.172 38.624 43.009 25.298 44.729 41.25 39.972 3.69...3.74 37.418 38.238 41.306 12.966 15.786 13.065 8.3096 8.8801 8.4703 3.74...3.80 23.419 26.526 29.301 13.055 16.92 14.644 16.311 16.499 16.298 3.80...3.85 28.5 30.977 33.768 9.2124 13.648 11.452 7.1176 7.492 7.5472 3.85...3.88 3.4348 3.3518 3.8485 3.7482 3.6092 3.3195 2.678 2.955 3.213 3.88...3.93 32.806 35.066 38.134 15.426 21.558 17.223 26.812 22.654 23.556 3.93...3.99 6.1732 6.0852 6.9452 4.2079 6.7398 5.4183 6.4838 5.9852 6.7969 3.99...4.02 0.8209 1.1324 1.0489 0.037695 1.2641 1.0023 2.0332 1.5376 2.1317 4.02...4.04 0.15343 0.20714 0.060867 0 0.13077 0.39302 0.60666 0.18656 0.71988 4.04...4.09 2.4796 2.7892 2.6652 4.3288 3.595 4.8148 4.1363 2.1789 3.7605 4.09...4.15 23.771 25.32 25.63 17.243 20.093 19.915 56.09 49.797 50.904 4.15...4.19 1.7361 1.6144 1.921 2.6252 1.8769 3.235 0 0.34944 0.02325 4.19...4.21 0.22545 0 0 0 0.060784 0.38073 0 0 0.037526 4.21...4.23 0.60258 0.11553 0.056776 0.023894 0 0.39436 0.1181 0.086765 0.13318 4.23...4.29 3.2529 3.044 2.9134 2.9959 0.58889 5.7511 0.44198 0.40205 0.60575 4.29...4.35 2.5815 2.7905 2.9297 0.61453 0 2.8694 0.030605 0.029518 0.13309 4.35...4.40 1.446 1.368 1.3133 0 0.030007 1.2877 0 0 0.0077855 4.40...4.42 0.082254 0.10983 0.06211 0 0 0.059601 0.019721 0 0 4.42...4.48 0 0 0 0 0 0 0.0057078 0.020191 0.018123 4.48...4.52 0 0.21647 0.1154 0 0 0 0.01525 0 0 4.52...4.55 0 0.023503 0.0031985 0 0 0 0 0 0 4.55...4.61 0.014641 0 0 0 0 0 0 0.018653 0.0090752 4.61...4.67 10.93 12.338 13.205 0 3.7629 2.7637 0 0.0082328 0.015217 4.67...4.69 0.021878 0.078533 0.060247 0 0.040627 0 0 0 0 4.69...4.70 0 0 0 0 0.010787 0 0 0 0.0026202 6.35...6.38 0.0014693 0 0.0081812 0 0.00095413 0.0073681 0 0.0088297 0.0071859 6.38...6.43 0.0023701 0.0041129 0 0 0.028782 0 0 0.0093653 0.010049 6.43...6.47 0.0024298 0.0067304 0.01272 0.016998 0.0091749 0.008499 0 0.007137 0 6.47...6.50 0 0 0 0.092585 0 0 0.023397 0.0036839 0.016784 6.50...6.52 0 0 0.000049186 0 0.038727 0.023015 0.0072841 0.028868 0.0060479 6.52...6.56 0.018288 0.0046878 0 0 0 0 0 0.012142 0.0059834 6.56...6.62 0 0 0 0 0 0 0.018141 0 0 6.62...6.68 0.014145 0.0093441 0 0 0 0.01323 0 0 0 6.68...6.72 0 0.00040469 0 0 0.0026538 0 0.010957 0 0.0047317 6.72...6.76 0.0011045 0 0.011061 0.0039601 0.045227 0 0 0 0.010354 6.76...6.79 0 0 0 0 0 0 0.0064989 0.00041873 0 6.79...6.84 0 0 0 0.013055 0 0 0.056098 0.027778 0.040436 6.84...6.87 0.0019603 0.031291 0.046692 0 0.00064312 0.071227 0 0 0 6.87...6.93 0.46283 0.49095 0.45784 0.060023 0.25726 0.30498 1.0782 0.93295 1.0555 6.93...6.98 0.0080317 0 0 0 0.01287 0 0.12297 0.13913 0.10568 6.98...7.02 0 0.036453 0.063215 0 0.025215 0.025895 0 0 0 7.02...7.06 0.14858 0.076602 0.15704 0.16873 0.014765 0.053801 0.015224 0.033524 0.32165 7.06...7.10 0 0 0 0 0 0 0.0045782 0.0032457 0 7.10...7.16 0 0 0 0 0.0018571 0 0 0 0.01806 7.16...7.21 0.25925 0.58333 0.38762 0.03419 0.34743 0.20181 1.4117 1.168 1.2193 7.21...7.24 0 0 0 0 0 0 0 0 0 7.24...7.29 0.049246 0.018338 0.00072855 0 0.065687 0.014553 0.020515 0.035414 0.027078 7.29...7.35 0.63048 0.72905 0.98941 0.54548 0.70682 0.82169 1.8042 1.4384 1.443 7.35...7.39 0 0.30349 0.31208 0 0.10575 0.16137 0.6216 0.54569 0.56325 7.39...7.44 0.095999 0.60809 0.64099 0.12952 0.2925 0.4527 1.0467 0.7193 0.88263 7.44...7.49 0.471 0 0 0 0 0 0 0 0 7.49...7.51 0 0.012583 0 0 0.021069 0 0 0.0065044 0 7.51...7.56 0.00516 0.00029642 0.087531 0 0 0.0016476 0.11658 0 0.26343 7.56...7.60 0.0053531 0 0 0.0069566 0.0023866 0.009445 0 0 0.00081606 7.60...7.65 0.557 0 0.0039939 0.021336 0 0 0 0.010482 0 7.65...7.69 0 0.007476 0.0063463 0 0 0 0.097269 0.032235 0.031105 7.69...7.71 0 0 0 0 0.0055991 0 0 0 0 7.71...7.76 0.073423 0.11378 0 0.046931 0.031184 0.1161 0.041904 0.17647 0.28201 7.76...7.78 0 0.12397 0.13769 0 0.0030313 0 0.049091 0 0.04018 7.78...7.82 0.0214 0.055984 0.0080474 0 0 0.0045863 0 0 0.042567 7.82...7.88 0.051815 0.10209 0.058156 0 0.037154 0.063056 0 0.017699 0 7.88...7.93 0 0 0 0.017023 0 0 0 0 0 7.93...7.95 0 0 0.0062334 0 0 0.019262 0.03652 0 0.04092 7.95...7.99 0.0016958 0 0 0 0 0 0.00058049 0 0 7.99...8.02 0 0.011377 0.013539 0.0022203 0.032329 0 0 0.011987 0.0026038 8.02...8.05 0 0 0 0 0 0.014067 0.0062495 0 0.033303 8.05...8.09 0.012832 0 0.0053753 0.038508 0 0 0.014925 0.0055615 0 8.09...8.13 0 0.010517 0 0 0.010957 0.012131 0 0 0 8.13...8.16 0.0079669 0 0 0.011256 0.021374 0.0061488 0 0 0.0029378 8.16...8.21 0.0040695 0.0068006 0 0 0 0 0.029031 0.015321 0 8.21...8.26 0.0014771 0.027127 0 0.013793 0.012799 0 0.0066633 0.019275 0.0018527 8.26...8.29 0 0 0.0055462 0 0 0 0 0 0 8.29...8.31 0.021955 0.026689 0.020821 0.0016496 0.032633 0.013285 0.05242 0.065888 0.05535 8.31...8.34 0 0 0 0 0 0 0 0 0 8.34...8.39 0.0037551 0 0 0.013426 0.0163 0.0077709 0 0 0.012606 8.39...8.40 0.018416 0 0.00050092 0 0.0032146 0 0 0 0 8.50...8.54 0 0 0 0 0 0.0064301 0.019226 0 0 8.54...8.58 0 0 0 0 0 0 0 0 0 8.58...8.60 0.028143 0.02696 0.012361 0 0.038164 0.012 0.085818 0.02526 0.055657 8.60...8.66 0 0 0.009964 0 0 0.0022475 0 0.0057742 0 8.66...8.70 0.016668 0 0 0.030249 0.02495 0 0.0024377 0 0 8.70...8.76 0 0 0.0090152 0.015006 0 0 0.00066347 0.01371 0 8.76...8.81 0 0 0 0 0.010892 0.0096298 0.0065436 0 0.023499 8.81...8.86 0.0079962 0 0 0 0 0 0 0.023869 0 8.86...8.88 0.009054 0.0063328 0 0.021971 0 0 0 0 0 8.88...8.92 0 0 0 0 0.014215 0 0.0091892 0 0.0072036 8.92...8.96 0 0.002287 0.0050799 0.0074664 0.0086825 0.0042455 0.0048859 0.021527 0 8.96...9.00 0.013132 0 0 0 0 0.0061672 0.010657 0 0.0089101 9.00...9.00 0 0.002062 0 0.0027909 0.013412 0 0.0083342 0 0 NMR_BINNED_DATA_END #END