#METABOLOMICS WORKBENCH wpathmasiri_20140314_9444811_mwtab.txt DATATRACK_ID:65 TEXT OUTPUT STUDY_ID:ST000033 ANALYSIS_ID:AN000053 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-Liver) 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_Liver 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 - LNC111 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - LNC140 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - LNC141 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - LNP124 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - LNP126 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - LNP127 Treatment Group:PAT SUBJECT_SAMPLE_FACTORS - LPL101 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - LPL102 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - LPL103 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - LPL201 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - LPL202 Treatment Group:Pool QC SUBJECT_SAMPLE_FACTORS - LPL203 Treatment Group:Pool QC #COLLECTION CO:SAMPLE_TYPE liver CO:COLLECTION_TIME 6 weeks 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 liver samples were weighed (50-100 mg) into labeled homogenizer bead SP:SAMPLEPREP_SUMMARY tubes. Cold acetonitrile:water (50%) was added to tissue based on weight to SP:SAMPLEPREP_SUMMARY make 1 mg/mL homogenates. The samples were extracted and homogenized on a Spex SP:SAMPLEPREP_SUMMARY Geno/Grinder for two 45 second pulses at 1750 rpm. Samples were centrifuged at SP:SAMPLEPREP_SUMMARY 12000 rcf for 5 min. Liver supernatants were transferred into BSI-labeled tubes. SP:SAMPLEPREP_SUMMARY A 500 μL aliquot/sample was transferred into a second set of BSI-labeled tubes SP:SAMPLEPREP_SUMMARY for further processing. To make pooled samples, a 300 μL aliquot of selected SP:SAMPLEPREP_SUMMARY TranSTAT liver supernatants was combined in a 2 mL tube and used for QC samples SP:SAMPLEPREP_SUMMARY in DuraSTAT, TranSTAT, EstroSTAT and NOD sub-studies. Additionally, a 200 μL SP:SAMPLEPREP_SUMMARY aliquot of selected VG STAT liver supernatants was combined in a separate 2 mL SP:SAMPLEPREP_SUMMARY tube and used as QC samples in the VG STAT sub-study. Three 500 μL aliquots SP:SAMPLEPREP_SUMMARY were transferred into BSI-labeled tubes for each set of Pooled QC samples. All SP:SAMPLEPREP_SUMMARY samples were then dried on an Eppendorf rotaVap (V-AL setting) at 30°C until SP:SAMPLEPREP_SUMMARY dry and stored at -80 °C. On the second day of processing, 630 μL of D2O was SP:SAMPLEPREP_SUMMARY added into each dried liver extract tube. Chenomx Internal Standard solution SP:SAMPLEPREP_SUMMARY (Chenomx ISTD, Edmonton, Alberta, Canada) contains 5mM SP:SAMPLEPREP_SUMMARY 4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS, Chemical Shift Indicator), 100 SP:SAMPLEPREP_SUMMARY mM Imidazole (pH indicator), and 0.2% NaN3 (to inhibit bacterial growth) was SP:SAMPLEPREP_SUMMARY added (70 µl), and the samples were vortexed on a multi-tube vortexer for 10 SP:SAMPLEPREP_SUMMARY minutes at speed 5. Tubes were then centrifuged at 12000 rcf for 5 minutes and a SP:SAMPLEPREP_SUMMARY 600 μL aliquot of the supernatant was transferred into 5mm NMR tubes (Wilmad SP:SAMPLEPREP_SUMMARY LabGlass, New Jersey, USA) which were kept on ice until data acquisition. SP:SAMPLEPREP_PROTOCOL_FILENAME NOD_Liver_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 0.5mM 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 noesypr1d NM:WATER_SUPPRESSION presat NM:PULSE_WIDTH 14.84 us NM:POWER_LEVEL 25.704w NM:RECEIVER_GAIN 10 NM:OFFSET_FREQUENCY 3293 Hz NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 298.1 K NM:NUMBER_OF_SCANS 64 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 DSS NM:INSTRUMENT_NAME Bruker Avance III #NMR_BINNED_DATA NMR_BINNED_DATA:UNITS Peak area NMR_BINNED_DATA_START Bin range(ppm) LNC111 LNC140 LNC141 LNP124 LNP126 LNP127 LPL101 LPL102 LPL103 LPL201 LPL202 LPL203 0.50...0.52 0.032345 0.021149 0.018873 0 0.032045 0.024973 0.036679 0.53756 0.020928 0 0.015736 0 0.52...0.56 0.0067002 0.0090523 0 0.019618 0.0040155 0 0 0.79348 0 0.014178 0 0.013782 0.56...0.58 0 0 0 0 0 0 0 0.61858 0 0 0 0 0.58...0.60 0 0.2021 0.037113 0.061095 0 0.053953 0.029032 0.67422 0.018562 0.004835 0 0 0.60...0.65 15.766 14.887 14.565 19.347 19.916 20.02 4.3904 6.2423 4.5498 8.6966 9.5089 8.464 0.65...0.67 0 0.57134 0 0 0 0 0.32798 0.96183 0.30207 0 0 0.027731 0.67...0.69 0 1.0442 0 0 0 0.012818 0.54609 1.1993 0.47266 0.29856 0.32405 0.34107 0.69...0.74 0 3.4299 0.12977 0.80551 0.013581 0.10813 2.1317 3.5124 1.8374 0.3381 0.40428 0.47365 0.74...0.76 0 1.9297 0 0.98163 0 0.26841 0.98412 1.5786 0.80266 0 0 0 0.76...0.78 0 2.2778 0 1.384 0 0.72116 1.2384 1.7853 1.0185 0 0 0.0001695 0.78...0.80 0.0036266 2.9582 0.029558 2.0217 0 1.2977 1.5952 2.126 1.3376 0 0 0.025611 0.80...0.82 0.21854 3.5009 0.20297 3.0175 0.22588 2.3209 1.7543 2.2579 1.4501 0.13122 0.11771 0.15017 0.82...0.84 1.7328 4.5128 1.7139 5.6078 2.5815 4.437 2.1391 2.6268 1.8217 0.75402 0.73932 0.74929 0.84...0.89 13.797 18.075 13.208 21.244 14.391 22.979 8.0129 9.0908 7.4359 7.8307 6.056 7.9421 0.89...0.91 5.0584 6.778 4.663 6.7296 4.3914 6.4174 3.6922 4.1517 3.3727 2.4587 2.4888 2.532 0.91...0.97 24.614 25.884 23.465 26.397 22.758 25.844 13.853 14.982 13.411 11.222 11.771 11.405 0.97...1.02 8.1682 11.069 8.3611 10.982 9.497 10.22 6.0202 7.1985 5.3253 3.735 4.0712 3.9317 1.02...1.06 3.8855 6.617 4.0776 5.8288 4.6773 5.3842 3.5669 4.6414 2.5584 2.335 2.5421 2.3783 1.06...1.08 0 1.2268 0 0.53398 0 0.25743 0.62173 1.095 0 0 0 0 1.08...1.10 0 1.5219 0 0.78904 0 0.29381 0.77598 1.3089 0.017045 0 0 0 1.10...1.13 0.017475 2.0498 0 1.3611 0.35972 0.93005 1.1067 1.6894 0.16086 0 0.0092378 0.035143 1.13...1.15 0.18889 1.6304 0.090213 1.3863 0.59237 1.2908 0.85139 1.2724 0.14175 0.0062822 0.034874 0.063515 1.15...1.17 1.8227 2.789 1.0343 2.5058 2.624 3.8403 1.1792 1.5842 0.50263 0.38555 0.45327 0.44326 1.17...1.20 7.3907 8.737 7.8585 18.959 14.3 19.085 3.0588 3.5266 2.1467 3.4696 3.6445 3.5756 1.20...1.22 2.7788 3.7228 2.7992 6.112 5.095 5.8375 1.7676 2.1315 1.0451 1.3381 1.2817 1.4455 1.22...1.24 4.1806 4.4222 4.3583 9.8377 8.2314 9.0803 1.6683 1.989 0.95502 2.1955 1.6042 2.1618 1.24...1.29 13.018 13.799 13.806 25.756 20.773 28.988 4.9523 5.4943 3.2338 11.115 6.6969 11.231 1.29...1.35 35.804 40.5 38.595 31.809 31.096 35.081 41.238 41.338 42.143 41.807 43.014 43.652 1.35...1.37 1.8466 2.9289 1.7128 3.0852 2.183 3.2217 1.3271 1.7407 1.0291 1.275 0.93391 1.7346 1.37...1.42 6.2978 8.3919 5.7683 8.1412 6.5539 8.6591 4.3773 5.2183 3.4062 3.2393 2.5314 4.1282 1.42...1.48 20.013 21.612 20.459 17.297 17.848 16.753 13.51 14.19 12.683 12.018 11.642 12.714 1.48...1.52 2.7738 4.1974 2.4854 4.4074 3.6389 3.8586 2.1613 2.726 1.6723 0.89266 0.14815 1.3695 1.52...1.55 2.8492 4.2664 2.2892 4.7164 3.601 4.365 2.0669 2.5572 1.4203 0.85658 0 1.3645 1.55...1.57 1.4404 2.3365 1.2099 2.4558 1.7689 2.2282 1.2324 1.4976 0.80804 0.60709 0 0.91033 1.57...1.60 2.3838 3.3788 1.9985 3.2856 2.6912 3.2908 1.7691 2.0745 1.2604 1.0511 0.10646 1.3703 1.60...1.62 2.2763 3.0004 1.8838 2.8471 2.3161 2.7333 1.715 1.9532 1.2933 0.8258 0 1.0223 1.62...1.64 2.6991 3.4502 2.2792 3.2826 2.7775 3.1547 2.0842 2.3217 1.6129 0.9762 0.0022965 1.1427 1.64...1.70 10.534 11.599 9.1898 10.952 9.7589 10.459 6.95 7.4597 5.8305 4.1099 2.0159 4.5337 1.70...1.73 7.5299 7.7239 6.8715 8.2475 8.1813 7.7849 4.422 4.6504 3.8618 3.1393 2.1957 3.3287 1.73...1.79 24.249 23.281 21.793 28.202 27.429 28.054 9.5356 10.275 8.6991 11.733 11.109 11.875 1.79...1.81 1.5587 2.473 1.3141 2.1456 1.855 1.9688 1.5111 1.744 1.0368 0.37217 0 0.64508 1.81...1.85 2.4323 3.4981 2.129 2.9815 2.433 2.6595 2.1357 2.3642 1.505 0.66682 0.090164 0.97333 1.85...1.87 2.0591 2.7561 1.7097 2.4578 2.0695 2.021 1.6481 1.7739 1.1884 0.58139 0.12061 0.69555 1.87...1.92 10.705 12.166 10.531 12.413 13.725 13.163 7.1379 7.2422 6.3009 6.0327 5.1971 6.3354 1.92...1.94 3.6495 3.774 3.2462 4.177 3.9853 4.1672 2.0388 2.1394 1.6304 1.1651 0.76241 1.3034 1.94...1.96 2.5347 2.8509 2.275 3.1635 2.7757 2.9118 1.4453 1.5489 1.0922 0.70186 0.30386 0.82021 1.96...1.99 4.1426 4.387 4.0008 5.4516 5.0772 5.3152 2.2034 2.2781 1.73 1.4086 0.82688 1.5338 1.99...2.01 4.3322 4.3679 4.1974 5.5623 5.0414 5.6158 2.1921 2.2077 1.8418 1.9798 1.402 2.0425 2.01...2.07 17.472 15.067 14.731 16.322 15.396 17.32 7.5693 7.564 6.8059 6.973 5.7213 7.227 2.07...2.09 3.9972 4.0582 3.5334 3.9887 3.6204 3.9429 2.4175 2.4216 2.111 1.4514 1.1539 1.495 2.09...2.11 5.3303 4.7329 4.422 4.2538 4.0641 4.0231 2.5091 2.468 2.1429 1.7798 1.4598 1.8739 2.11...2.17 31.019 28.753 28.94 23.242 23.967 22.083 17.873 17.51 17.685 15.689 16.114 16.159 2.17...2.21 5.1051 5.5291 4.5451 5.3585 5.0685 5.1679 3.1575 3.2428 2.7857 1.8708 1.6438 2.1761 2.21...2.23 1.8306 2.3044 1.9024 2.545 2.2647 2.6974 1.3917 1.3896 1.0565 0.59998 0.35507 0.73001 2.23...2.29 7.5994 8.0043 7.3059 10.02 9.6668 10.555 4.4569 4.2813 3.6869 2.8276 2.4989 3.3185 2.29...2.32 3.6444 3.9533 3.5088 5.7697 4.6045 5.6851 2.0254 1.9424 1.5597 1.5052 1.3536 1.6339 2.32...2.37 11.617 9.0395 9.3976 8.4593 8.0294 8.1133 4.311 4.0999 3.667 4.2041 4.1322 4.3599 2.37...2.41 4.9762 5.1584 3.8807 6.462 5.0702 6.3543 2.8577 2.6341 2.349 1.7392 1.7456 1.9228 2.41...2.47 8.6806 10.18 9.8049 10.224 8.7995 8.7346 7.5926 7.0887 6.9844 6.8837 7.25 7.0555 2.47...2.50 1.3495 1.9116 1.2553 2.1646 1.2359 1.575 1.229 1.0519 0.8412 0.65208 0.66948 0.69199 2.50...2.52 3.1026 2.6495 2.3401 2.3768 2.1633 2.1664 1.2978 1.1092 1.0134 0.81779 1.0307 0.8248 2.52...2.57 11.207 11.236 10.147 7.9237 7.7623 7.5368 7.0417 6.4996 6.5882 5.5724 5.9774 5.7619 2.57...2.60 0.028471 0.63943 0.10927 0 0 0 0.58302 0.40838 0.256 0.0030303 0.10849 0.066612 2.60...2.62 0 0.061935 0 0 0 0 0.1896 0 0 0 0 0 2.62...2.66 2.3572 2.3611 2.4991 2.1609 2.2666 2.4868 1.4371 1.0158 0.8879 0.94854 1.1041 0.99812 2.66...2.69 0.5847 0.87374 0.62587 1.0651 0.57471 1.2101 0.56562 0.22521 0.12722 0.36091 0.52518 0.32425 2.69...2.72 0 0.51056 0.28766 0.58553 0.14204 0.36721 0.38243 0.032183 0 0 0 0 2.72...2.78 0.049472 1.706 1.2383 2.5246 1.82 2.3382 0.95018 0.18041 0.16964 0.35945 0.052204 0.28817 2.78...2.80 0.095725 0.73988 0.61194 1.5323 0.99132 1.6398 0.33168 0 0 0.26994 0.00027671 0.21198 2.80...2.83 0.10461 0.90244 0.53072 0.89977 0.49629 0.99863 0.47961 0.090611 0.12009 0.33538 0.034631 0.2689 2.83...2.85 0.18244 0.78662 0.51976 0.3328 0.22192 0.20598 0.49929 0.18034 0.22332 0.09688 0.018243 0.015912 2.85...2.88 0.26107 0.86711 0.56817 0.39256 0.30151 0.32655 0.52239 0.19098 0.27228 0.078589 0.030631 0.051109 2.88...2.93 19.384 19.57 19.895 23.065 23.655 24.042 7.5911 6.969 7.316 11.227 11.582 10.715 2.93...2.99 11.795 12.117 11.991 7.9541 8.9634 7.9393 7.708 6.7809 7.5266 5.1326 5.1145 5.0778 2.99...3.04 7.1448 7.0131 7.7397 8.4824 9.3132 8.6709 4.7663 4.036 4.5571 3.7456 3.6689 3.6572 3.04...3.09 2.238 3.4212 3.5818 2.9366 3.2794 3.2645 2.802 2.0033 2.469 1.9748 1.541 1.8781 3.09...3.11 0.34829 1.1228 1.1155 0.8959 1.4612 1.2643 0.72651 0.41899 0.62176 0.48735 0.29203 0.43444 3.11...3.16 2.725 4.7108 4.7718 3.7869 4.7527 4.6175 2.4826 1.685 2.3352 1.9353 1.5601 1.8101 3.16...3.18 1.4869 2.1883 2.2559 2.064 2.589 2.871 1.0806 0.67173 1.0315 0.92077 0.64474 0.86875 3.18...3.20 17.424 20.315 17.738 18.716 18.563 18.404 7.2375 6.5949 7.519 5.8477 5.6011 5.8189 3.20...3.23 19.443 20.858 21.737 24.666 29.877 24.441 15.705 14.71 16.482 20.784 20.424 20.822 3.23...3.27 67.587 50.242 57.608 98.399 98.062 92.381 50.005 48.012 52.268 60.912 64.009 61.117 3.27...3.33 9.7492 7.3143 8.1642 7.5127 8.5214 6.6919 6.1455 5.5402 6.3122 4.9122 5.3953 4.8654 3.33...3.35 0.74287 0.96111 1.3657 0.8177 1.0266 0.8221 0.92812 0.5933 0.98435 0.81558 0.57208 0.78261 3.35...3.37 0.86469 1.1317 1.7143 0.27996 0.79385 0.69186 1.1895 0.77417 1.3374 0.94645 0.58568 0.89609 3.37...3.42 53.319 41.18 47.324 57.787 55.34 54.8 66.073 62.978 69.477 81.685 85.603 82.08 3.42...3.48 41.721 39.125 43.624 26.304 27.191 24.433 66.634 64.279 69.892 81.631 87.06 81.874 3.48...3.54 22.271 22.972 24.994 11.724 13.621 12.188 31.076 29.988 32.405 36.135 38.22 36.123 3.54...3.57 15.002 13.635 15.659 14.656 15.319 14.351 15.89 15.151 16.663 16.113 16.558 16.071 3.57...3.61 4.6543 4.8312 5.555 5.2605 7.4529 5.0005 16.323 15.65 17.181 14.389 14.909 14.367 3.61...3.66 15.206 15.028 17.257 14.572 15.893 15.166 25.869 24.788 27.501 23.931 24.67 24.01 3.66...3.68 4.9849 5.3703 5.5727 3.6566 4.6024 3.7936 12.697 12.089 13.61 10.522 10.526 10.483 3.68...3.73 32.637 34.649 38.425 12.739 17.814 14.763 64.068 61.783 67.589 73.425 77.82 73.785 3.73...3.79 51.211 47.945 52.523 31.735 37.958 32.86 64.557 62.604 67.615 65.139 68.97 65.008 3.79...3.85 40.514 38.582 42.97 21.754 26.621 23.28 70.192 68.105 73.875 73.085 77.368 73.188 3.85...3.90 39.125 37.057 41.285 23.762 29.138 24.959 61.607 60.548 64.13 65.384 70.028 65.002 3.90...3.96 12.709 9.6657 12.641 11.7 13.944 11.655 19.282 19.29 19.388 16.559 16.691 15.634 3.96...4.01 11.655 9.3207 12.401 10.713 13.25 11.04 13.072 13.042 13.125 11.429 10.922 10.595 4.01...4.07 10.824 9.1792 11.038 10.378 12.757 10.558 8.2735 8.2426 8.2414 5.8353 4.8091 4.9778 4.07...4.13 11.917 9.8258 12.817 9.8632 12.449 10.398 11.35 10.962 11.517 10.129 8.2938 9.2374 4.13...4.15 2.3843 1.7173 2.8177 3.6338 4.0238 3.7307 1.3793 1.3865 1.3276 1.2045 0.56703 0.87126 4.15...4.20 5.514 4.0921 6.626 6.726 9.1 6.5651 3.4496 3.4063 3.4517 3.0456 1.5386 2.2655 4.20...4.25 6.5214 4.7451 7.5459 6.1457 8.0946 6.4732 4.287 4.151 4.4166 3.3995 1.733 2.5904 4.25...4.29 8.3464 5.3561 8.2037 7.6833 9.3332 8.2589 4.3947 4.3374 4.5811 3.7167 2.3228 3.0669 4.29...4.33 4.2551 2.774 5.0687 3.9963 5.3736 4.6198 2.9614 2.8673 3.0809 2.5894 1.2646 1.9892 4.33...4.39 6.8485 4.4035 7.747 6.2118 8.3912 6.5826 4.6334 4.4576 4.831 3.1091 0.96805 2.1846 4.39...4.44 5.9697 3.1613 6.7896 5.5205 7.5086 5.3357 3.938 3.7454 4.1589 3.2435 1.2108 2.2931 4.44...4.49 0.88126 0.00019898 2.3272 0.90113 2.2222 0.94311 1.2808 1.1499 1.3936 0.90173 0 0.20958 4.49...4.54 0.77052 0.73893 2.8693 0.86507 2.9459 0.44793 2.1654 1.9766 2.4521 1.593 0.52097 0.62138 4.54...4.60 0.080366 1.443 2.8005 0.023406 1.8024 0.059176 1.6434 1.5085 2.1384 1.2782 0.34697 0.76805 4.60...4.66 7.9779 8.6259 9.9637 1.7855 2.3893 2.2237 17.156 16.408 18.202 20.417 21.57 20.509 4.66...4.69 0 0 0 0 0 0 0.11766 0.13004 0.065112 0.039971 0.028925 0.010328 4.69...4.70 0.002741 0.0090968 0.010063 0.028175 0 0 0 0.0023725 0.0027279 0 0 0 4.85...4.88 0 0 0 0 0.0015135 0 0.002637 0 0 0 0 0 4.88...4.93 0.043439 0.011145 0.0116 0.026165 0 0.036766 0.23996 0.16763 0.12902 0 0.1272 0 4.93...4.99 0 0 0.0067537 0 0 0 0.32594 0.30273 0.096278 0.10865 0.57285 0.31423 4.99...5.03 0.052582 0.026628 0.020377 0.031735 0.027484 0.010544 0.01591 0 0 0 0 0 5.03...5.05 0 0 0 0 0 0 0 0 0 0 0 0 5.05...5.08 0 0.0097816 0.0031081 0.024039 0.012366 0.014629 0.012987 0.0027456 0.0057674 0 0 0 5.08...5.14 0.033196 0 0.017625 0 0.042795 0 0.28777 0.19416 0.30706 0.22825 0.11612 0.13384 5.14...5.18 0.013872 0.16411 0.12566 0 0 0.023036 0.33324 0.29107 0.5117 0.13018 0.22409 0.24496 5.18...5.20 0 0.12261 0.030478 0 0 0 0 0 0.25575 0 0 0.18611 5.20...5.26 7.0968 7.5894 8.2231 1.1017 2.0362 1.5599 16.183 15.598 16.852 18.66 19.704 18.778 5.26...5.28 0 0 0 0 0 0 0.0032126 0.0053573 0 0 0 0 5.28...5.30 0.058192 0.0058946 0.086868 0.35855 0.11474 0.53483 0 0 0 0 0 0 5.30...5.32 0.057692 0.050916 0.03704 0.048112 0.049671 0.39988 0.087089 0.051845 0.11164 0.29292 0.17381 0.15914 5.32...5.37 0 0 0 0 0 0 1.1868 1.0499 1.4699 1.8743 2.0384 1.6938 5.37...5.43 0 0 0 0.0050636 0 0.10665 12.467 12.196 13.067 8.657 9.5588 8.5344 5.43...5.47 0 0 0 0 0.032363 0.0017854 0.12415 0.14298 0 0.030463 0.065324 0 5.47...5.49 0.013713 0.028384 0.039581 0.0053704 0 0.025534 0 0 0 0.0031274 0.022751 0 5.49...5.52 0 0 0 0.013059 0 0 0 0.0088985 0.0055594 0 0 0 5.52...5.57 0.023572 0.025241 0.083374 0.0023042 0.071474 0 0 0.0003505 0 0.015095 0.0079911 0.0021941 5.57...5.61 0 0 0 0 0 0.0032407 0 0 0 0 0 0 5.61...5.65 0.011066 0 0.034016 0.050712 0.012104 0.030305 0.039583 0.039947 0.021018 0.00083974 0.022349 0.014226 5.65...5.68 0 0.0060032 0 0 0 0 0 0.0049464 0 0.0055636 0 0 5.68...5.74 0.0038212 0 0.0057725 0 0.043819 0 0.0020993 0 0 0 0.0032609 0 5.74...5.78 0 0 0 0 0 0 0 0 0 0.0069464 0 0.00043433 5.78...5.80 0.0009557 0.0311 0.085851 0.061368 0.031436 0.027095 0.041477 0.01884 0.032413 0 0.010778 0.0051001 5.80...5.84 0.0080577 0 0 0 0 0 0 0 0 0 0 0 5.84...5.87 0 0 0.021731 0 0 0.030246 0.015834 0 0.023212 0.0038528 0.070509 0.008725 5.87...5.93 2.227 2.0014 2.0258 2.2022 1.8886 1.9051 0.99468 0.93319 1.0487 0.85134 0.89742 0.84619 5.93...5.96 0 0.053961 0 0 0 0 0.049466 0.038698 0.074914 0 0.013819 0 5.96...6.01 0.28465 0.7649 0.59494 0.61391 0.36404 0.50873 0.62692 0.62664 0.67332 0.035829 0.14677 0.077588 6.01...6.04 0 0 0.015101 0.028057 0.017777 0 0.0005326 0.0055575 0 0.0054534 0.0017424 0.0022462 6.04...6.07 0 0.016439 0 0 0 0.007153 0 0 0 0 0 0 6.07...6.11 2.9534 2.2402 2.3508 3.0881 2.8623 2.6387 1.3683 1.3533 1.4603 1.2426 1.4176 1.2421 6.11...6.17 0.76993 0.76768 0.72523 0.86793 0.92663 0.56449 0.90734 0.90537 0.94449 0.36451 0.63558 0.3276 6.17...6.19 0 0.020024 0 0 0 0.0045619 0.0057851 0.014439 0.01444 0 0 0 6.19...6.23 0.0070913 0 0.0064514 0.014134 0.024985 0.0041085 0.0057008 0.0023983 0.012205 0.0018733 0.025037 0.0012145 6.23...6.28 0 0 0 0 0 0 0 0 0 0 0 0 6.28...6.32 0 0.019974 0.02018 0 0 0 0.0029769 0.00079997 0.0032524 0 0 0.00029231 6.32...6.35 0.027252 0 0 0 0 0 0 0 0 0 0.010598 0 6.35...6.38 0 0 0 0.033444 0 0 0 0 0.00046492 0.0092212 0 0.0073534 6.38...6.44 0.022799 0.0023569 0.00056456 0 0 0.018181 0 0.006041 0 0 0.0045871 0 6.44...6.47 0.006421 0 0 0.031329 0.059732 0 0.0021751 0 0 0 0.012473 0.0010973 6.47...6.53 0.45182 0.24562 0.44528 0.36265 0.13792 0.55506 0.16373 0.14789 0.15161 0.34513 0.25332 0.31052 6.53...6.55 0 0 0 0.0067096 0.0044871 0.041436 0.0015125 0.0067954 0 0 0 0.0075887 6.55...6.60 0 0 0 0 0 0 0 0 0 0 0.0086693 0 6.60...6.63 0.021747 0.02284 0.012603 0.020051 0 0 0.010231 0.13286 0.030727 0.014144 0.0021296 0 6.63...6.67 0.015242 0.0071957 0.021702 0 0.064298 0.016828 0.0041538 0.14864 0.015547 0 0 0.0011165 6.67...6.71 0 0 0 0.0087562 0 0 0 0.086128 0 0 0 0 6.71...6.74 0.0076951 0.0034196 0.0090387 0 0 0.014964 0 0.17524 0 0.0086998 0 0.0055116 6.74...6.77 0 0 0 0 0 0 0 0.26038 0.041354 0 0.0028792 0 6.77...6.80 0.19355 0.052874 0.1474 0.15595 0.25771 0.21609 0.11111 0.47651 0.17618 0.0090658 0.014176 0.0066276 6.80...6.84 0.0097782 0 0 0 0 0 0.0015078 0.48056 0.032176 0 0 0.0077138 6.84...6.87 0 0 0 0.032821 0 0.01772 0 0.24323 0.0073017 0 0 0 6.87...6.92 0.93365 0.74823 0.88586 0.68077 0.73669 0.73063 0.38622 0.84813 0.36716 0.5792 0.5634 0.53135 6.92...6.97 0.020879 0.026694 0.027546 0.015275 0 0.02335 0.010907 0.53156 0.0049506 0 0 0 6.97...7.01 0 0 0 0 0.032379 0.015323 0 0.40175 0.0060821 0.0029377 0 0.013234 7.01...7.06 0 0 0 0 0 0 0 0.40211 0 0 0.0025171 0 7.06...7.09 0.46573 0.47086 0.20496 0.12692 0.25073 0.5752 0.14358 0.46583 0.2408 0.19866 0.22018 0.25775 7.09...7.14 0.78009 1.0566 0.042987 0.010089 0.040581 1.1069 0.013275 0.6032 0.38342 0.0072034 0.0037513 0 7.14...7.16 0.14827 0.44968 0 0 0 0.541 0 0.18833 0.14584 0 0 0 7.16...7.22 3.1403 3.6688 2.9896 2.6096 2.8644 4.8428 0.92324 1.4462 1.4955 1.3252 1.3645 1.2925 7.22...7.25 0.28195 1.1548 0.75696 0.0071294 0 1.7036 0.0019931 0.22871 0.35611 0.010021 0 0.0071648 7.39...7.45 5.3089 0 0.10517 1.9989 0.70571 0 0.8774 1.7894 0.23161 0.87653 0.88513 0.080682 7.45...7.51 3.2095 0.8102 0.99209 1.619 1.4312 1.3577 0.33324 1.2546 0.30423 0.63364 0.72669 0.66507 7.51...7.56 0.61061 0 0.0059963 0.0012629 0 0 0.039421 0.51129 0 0 0.011006 0 7.56...7.61 1.1674 0.7443 0.93636 0.96139 0.76504 0.99582 0.57615 0.89541 0.51509 0.60352 0.62759 0.57442 7.61...7.64 0 0 0 0.00077783 0 0 0 0.19537 0 0 0 0.00031542 7.64...7.69 0.023276 0.0048661 0.017743 0.021625 0.051042 0.042959 0.016816 0.30459 0.0089478 0.0083323 0.0075764 0.0039206 7.69...7.74 0.00048006 0.0096659 0 0.00189 0.0024851 0.007261 0.00728 0.21378 0.044322 0.014653 0.0075534 0.0095459 7.74...7.76 0 0.010391 0.012503 0 0 0 0.0071639 0.068396 0 0 0 0 7.76...7.80 0 0 0 0.010572 0 0.011632 0 0.080128 0 0 0 0 7.80...7.83 0 0.015721 0 0 0 0 0 0.016358 0 0 0 0.0052669 7.83...7.89 2.3504 1.8992 2.1008 1.9966 1.7335 2.0777 0.97236 1.0877 1.012 0.91265 0.97116 0.94288 7.89...7.92 0 0 0 0 0 0 0 0.08312 0 0 0 0 7.92...7.97 0.98564 0.74167 0.6965 1.019 0.66972 0.85098 0.57693 0.73509 0.59124 0.31947 0.34195 0.36034 7.97...8.03 0.066452 0 0 0.32192 0 0 0.016269 0.2265 0.0077587 0.0084748 0.0098498 0 8.03...8.06 0 0.0056296 0 0 0 0 0 0.054667 0 0 0 0.00021453 8.06...8.12 0.056846 0.0028223 0.022565 0.027575 0.056497 0.023607 0.10632 0.26343 0.089592 0.033081 0.0072102 0.005628 8.12...8.15 0 0 0 0.0027095 0 0 0 0.016516 0.0016802 0 0.0035908 0.00093525 8.15...8.19 0.99827 0.95367 1.0273 1.2105 1.223 1.4652 0.4092 0.40856 0.47495 0.43917 0.38483 0.45188 8.19...8.21 0.91916 0.92112 0.98003 1.176 1.3192 1.4463 0.29971 0.30928 0.3485 0.38064 0.36969 0.44829 8.21...8.27 3.5544 2.5766 2.5611 3.3319 2.3371 3.0715 1.944 2.0279 2.0618 1.6593 1.6514 1.7069 8.27...8.30 0.0956 0.039454 0.029045 0.029739 0 0 0.043425 0.1629 0.03885 0.025258 0.000062233 0 8.30...8.32 0 0.010213 0 0 0.019175 0.040274 0 0.032869 0.0031669 0 0 0 8.32...8.37 2.8395 2.7811 3.0685 4.5514 3.7547 4.3876 1.6261 1.7061 1.6778 1.7031 1.9631 1.6993 8.37...8.41 1.5664 0 0.015936 0.094284 0.0025215 0 0.025184 0.17906 0.015553 0.0051274 0.057043 0.00010414 8.41...8.44 0 0.014567 0 0 0.058552 0 0.0010522 0.065585 0.0016439 0 0 0 8.44...8.49 0.0227 0.071053 0.025464 0.033914 0.15836 0.064485 0 0.22596 0 0 0.0074315 0 8.49...8.53 0 0.003375 0.0028907 0 0.0095479 0.0025655 0.1269 0.25913 0.090969 0 0 0 8.53...8.56 0.15082 0 0 0 0.013341 0 0.12821 0.23627 0.13855 0.0062787 0 0.011002 8.56...8.60 0.43135 0.31331 0.25395 0.095206 0.027033 0.35763 0.46941 0.57806 0.46362 0.21635 0.19808 0.19987 8.60...8.64 0.019326 0 0.012764 0 0 0.012881 0 0.068528 0 0.0035161 0.0019231 0.0016395 8.64...8.68 0 0 0 0 0 0 0.0061486 0.040086 0.0036005 0 0 0.016257 8.68...8.74 0.97715 0.63248 0.84547 1.019 0.66132 0.91354 0.49092 0.49732 0.50158 0.45252 0.47925 0.48016 8.74...8.77 0.0072801 0 0 0 0 0.031308 0 0 0.0039759 0.00097563 0 0.00095612 8.77...8.80 0 0 0.0018895 0.021804 0.036255 0 0.00019609 0 0 0 0.0102 0 8.80...8.84 0.016276 0.0042451 0 0.003574 0 0.0071507 0.0026045 0.0088836 0 0.0038785 0 0.006052 8.84...8.88 0 0.00025507 0 0 0 0.0019715 0.0034803 0 0.00046687 0 0 0 8.88...8.90 0 0.012075 0.020994 0 0 0 0 0 0 0.011688 0 0.0087922 8.90...8.95 0.81374 0.5258 0.55329 0.74204 0.76582 0.67828 0.37796 0.34636 0.40523 0.29628 0.30178 0.38634 8.95...9.00 0 0 0 0.0093589 0 0 0 0 0 0.0010501 0.001647 0.010304 9.00...9.00 0 0 0 0 0.0023416 0 0 0 0 0 0 0.0016817 NMR_BINNED_DATA_END #END