#METABOLOMICS WORKBENCH wpathmasiri_20140314_9794081_mwtab.txt DATATRACK_ID:68 TEXT OUTPUT STUDY_ID:ST000036 ANALYSIS_ID:AN000056 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(EstroSTAT-Serum) ST:STUDY_TYPE Metabolomics ST:STUDY_SUMMARY In the EstroSTAT sub-study, a total of 18 samples from 23 week old, female ST:STUDY_SUMMARY C57BL/6 mice; comprised of 6 urine samples, 6 serum samples and 6 liver tissue ST:STUDY_SUMMARY samples were analyzed. Three mice/matrix were given STAT penicillin and 3 ST:STUDY_SUMMARY mice/matrix were non-treated Controls. The mice were housed with conventional ST:STUDY_SUMMARY bedding and fed a Low phyto-estrogen 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 EstroSTAT_Serum ST:PHONE - ST:ADDRESS - #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6 SU:GENDER Female SU:ANIMAL_HOUSING Conventional SU:ANIMAL_FEED Low phyto-estrogen diet 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 - SEC906 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SEC920 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SEC922 Treatment Group:Control SUBJECT_SAMPLE_FACTORS - SPL101 Treatment Group:Pooled QC SUBJECT_SAMPLE_FACTORS - SPL102 Treatment Group:Pooled QC SUBJECT_SAMPLE_FACTORS - SPL103 Treatment Group:Pooled QC SUBJECT_SAMPLE_FACTORS - SES365 Treatment Group:STAT SUBJECT_SAMPLE_FACTORS - SES910 Treatment Group:STAT SUBJECT_SAMPLE_FACTORS - SES911 Treatment Group:STAT #COLLECTION CO:SAMPLE_TYPE blood CO:COLLECTION_TIME 23 weeks CO:BLOOD_SERUM_OR_PLASMA serum CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY Three mice were given STAT penicillin and 3 mice were non-treated controls. STAT TR:TREATMENT_SUMMARY = sub-therapeutic antibiotic treatment. TR:TREATMENT_COMPOUND STAT Penicillin #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 EstroSTAT_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) SEC906 SEC920 SEC922 SPL101 SPL102 SPL103 SES365 SES910 SES911 0.50...0.52 0 0 0.0093713 0.019199 0.029792 0.0013863 0 0.0066188 0 0.52...0.56 0 0 0.008155 0 0 0 0.009387 0 0.017141 0.56...0.58 0.00079027 0.0057949 0 0.035584 0.015716 0.0065399 0 0 0 0.58...0.64 0 0 0.0062785 0 0.0086188 0 0 0 0 0.64...0.67 0.0037146 0.017202 0 0.0063274 0 0 0.018076 0.017192 0.00058417 0.67...0.71 0 0.0074973 0.0073063 0 0 0.011582 0 0 0.001023 0.71...0.74 0 0 0 0 0 0 0 0 0 0.74...0.78 0.25675 0.042028 0.046205 0 0 0 0.030525 0.3139 0.041311 0.78...0.80 0.20512 0.035344 0.042672 0.0080293 0.076318 0.10854 0.011672 0.26255 0.010434 0.80...0.82 0.84751 0.70178 0.70596 0.29818 0.28423 0.43079 0.79798 1.0069 0.52549 0.82...0.88 40.956 46.507 44.085 15.931 13.889 15.965 43.917 51.745 38.714 0.88...0.91 11.91 10.908 11.213 10.283 9.7079 10.404 8.8121 14.902 9.9553 0.91...0.97 10.759 10.591 11.682 27.659 23.614 26.297 9.762 11.813 10.095 0.97...1.02 4.0215 3.7336 4.3925 9.3732 9.2446 9.372 3.8496 5.0527 4.0603 1.02...1.08 2.3429 2.3383 2.5723 6.8749 6.3691 7.005 2.4092 3.2061 2.5317 1.08...1.10 0 0 0 0 0 0.15518 0 0 0 1.10...1.12 0.029302 0.025585 0.034497 0.04985 0 0.060148 0.0076075 0.023149 0.054612 1.12...1.15 0.02526 0.0043127 0.097097 11.409 9.1995 11.867 0.028908 0.016651 0.148 1.15...1.18 9.4051 3.005 7.4708 40.062 31.553 37.384 4.9857 2.8513 2.6807 1.18...1.20 9.8026 6.2504 8.5478 14.642 13.227 13.911 7.1566 3.0987 5.96 1.20...1.22 5.0199 4.9919 4.9707 3.0849 3.0507 2.9878 4.7056 4.9196 4.437 1.22...1.25 12.708 12.768 12.65 5.883 5.0481 5.879 12.384 14.123 11.266 1.25...1.29 47.634 43.73 45.131 27.94 23.922 28.227 42.623 57.457 39.112 1.29...1.35 141.44 183.43 167.33 275.25 235.5 262.91 171.35 163.52 132.68 1.35...1.39 3.4019 3.3952 3.1392 6.8583 13.421 7.1903 1.4924 5.7204 3.7771 1.39...1.45 3.0208 3.6343 3.4295 6.1126 12.261 8.6674 1.8532 5.0884 4.3436 1.45...1.51 6.1185 7.1139 6.7369 23.999 25.78 26.178 4.775 9.6765 7.2445 1.51...1.54 0.68908 0.28539 0.3675 0.56486 3.8641 3.0791 0 1.4274 1.2633 1.54...1.60 3.9134 1.8827 2.2233 1.1057 6.6827 6.8005 0.28432 5.1357 3.6709 1.60...1.63 0.89045 0.091424 0.11684 0 2.6101 3.7272 0 1.178 1.1669 1.63...1.65 0.55138 0 0.0055139 0 0.95045 1.3663 0 0.69505 0.75658 1.65...1.68 1.1103 0.31795 0.50326 1.4511 2.2936 2.6066 0.37273 1.3571 1.3607 1.68...1.74 3.7436 3.1455 4.0979 9.2835 8.916 10.34 3.2868 5.2528 4.4761 1.74...1.79 0.28048 0 0.3331 5.4386 5.3033 6.869 0.3295 0.61959 0.83885 1.79...1.81 0 0 0.0048541 0 0.071991 0.20096 0 0 0.22974 1.81...1.83 0.035883 0.0058564 0.044874 0.55065 0.60961 0.87385 0.014166 0.032441 0.24652 1.83...1.85 0 0 0 0.46409 0.39295 0.75865 0 0 0.25007 1.85...1.87 0.020437 0.31416 0.35873 0.96442 0.73308 1.1057 0.31816 0.26961 0.5484 1.87...1.93 2.5147 4.3736 4.1775 63.059 49.656 56.808 4.273 4.7733 4.4037 1.93...1.95 0 0.78317 0.5857 2.0377 2.8145 2.219 0.78538 0.77294 0.86272 1.95...1.98 0.34988 1.39 1.1064 2.0608 2.3959 2.3843 1.4115 1.5188 1.3783 1.98...2.03 11.198 14.708 13.799 12.371 11.351 12.739 13.773 17.468 12.746 2.03...2.09 6.5297 8.8141 8.5432 15.191 14.006 16.002 8.1304 11.18 8.1273 2.09...2.11 0.9027 1.7601 1.9106 2.7366 2.4701 2.8734 1.7891 1.9354 1.8622 2.11...2.16 6.1169 7.937 7.9416 7.05 6.4952 7.8104 7.988 8.8083 8.0498 2.16...2.19 0 0.62544 0.50533 1.4221 1.5142 2.2099 0.64289 0.67926 0.84147 2.19...2.21 0 0.4002 0.38923 0.64428 0.73069 1.3151 0.46128 0.4222 0.52182 2.21...2.27 5.3817 6.0625 6.2527 8.9491 7.935 10.896 5.7195 7.2745 5.9195 2.27...2.32 2.4904 3.436 3.3335 4.8835 4.36 6.0251 3.5584 2.709 3.5415 2.32...2.38 3.4079 5.1511 4.5177 7.7537 6.4053 8.1868 6.261 5.3831 4.5871 2.38...2.42 7.9661 7.4644 7.5088 11.58 9.0307 11.145 8.4795 5.1475 7.5663 2.42...2.48 5.1426 4.789 5.1658 0.025258 0.034772 2.1712 5.4021 5.9847 5.6355 2.48...2.50 0.059024 0.20725 0.10584 0.13208 0.061428 0.41615 0.25017 0.19685 0.32498 2.50...2.56 1.9445 2.3351 2.0632 0.27199 0.11079 0.32452 2.8131 1.5473 2.0382 2.56...2.59 0.025311 0.061587 0 0.0054125 0 0 0.079737 0.0098559 0.14685 2.59...2.61 0 0 0 0 0.025375 0 0 0 0.063078 2.61...2.64 0.34554 0.40402 0.27024 0.35985 0.55919 0.77732 0.42747 0.47489 0.46872 2.64...2.66 0.25376 0.31562 0.18175 0.067631 0.36122 0.49037 0.38656 0.32264 0.31491 2.66...2.68 1.5962 1.7317 1.5461 0.21922 0.70159 0.77484 1.9795 1.3312 1.4844 2.68...2.72 3.1222 3.3643 3.1749 0.49445 1.4102 1.794 3.3947 3.3114 3.0174 2.72...2.78 9.4637 10.467 9.5637 0.18841 2.8173 3.4232 9.4631 11.181 8.6436 2.78...2.84 3.1286 3.3919 3.1248 0.27976 1.6908 1.8521 3.0436 3.8856 3.3013 2.84...2.86 0.084251 0.01609 0 0 0.036928 0.12134 0.034544 0.10266 0.25193 2.86...2.88 0.12839 0.046853 0.021484 0.44726 0.4166 0.61205 0.16749 0.070567 0.29373 2.88...2.93 2.3288 2.375 2.0889 2.7496 2.4363 3.0429 2.7939 2.3279 2.6841 2.93...2.95 0.73497 0.78453 0.76299 0.37468 0.34213 0.50263 0.94461 0.75091 0.95888 2.95...2.98 1.1889 1.2134 1.1293 1.3124 1.0717 1.3697 1.4161 1.2195 1.4334 2.98...3.00 1.3651 1.3321 1.3003 2.0461 1.6161 1.9602 1.5903 1.3689 1.4708 3.00...3.06 5.5606 6.36 6.5639 16.251 13.798 15.925 6.8125 6.8415 6.0753 3.06...3.08 0.085954 0 0 0.58948 0.80638 0.69211 0.24397 0.16212 0.30224 3.08...3.10 0.13291 0.017783 0 0.21847 0.36809 0.36685 0.34024 0.10775 0.36897 3.10...3.16 1.6961 1.14 1.3201 6.0224 5.1682 6.1315 2.3804 1.6763 2.0188 3.16...3.18 0.42971 0.29676 0.40039 0.41986 0.27735 0.56348 0.87489 0.50483 0.5557 3.18...3.20 9.2688 12.729 12.319 11.018 7.9295 10.631 12.783 11.623 9.6386 3.20...3.25 61.899 67.589 65.933 13.648 11.421 13.468 65.425 66.448 60.638 3.25...3.31 16.739 15.176 14.66 72.37 62.008 67.803 15.643 14.856 15.671 3.31...3.34 0.18985 0.024105 0.0016799 0.58759 1.5283 0.77008 0.35296 0.17967 0.65441 3.34...3.37 2.5671 1.5925 2.1209 0.78774 1.3995 1.0933 2.7134 1.8274 2.2093 3.37...3.43 68.612 58.189 60.033 6.4051 6.2012 6.4016 62.203 53.389 63.703 3.43...3.48 53.015 44.73 46.344 0 0.24617 0.024407 46.75 40.179 50.288 3.48...3.51 28.101 23.604 24.623 0.24695 0.43594 0.48221 24.915 21.959 27.238 3.51...3.53 11.204 9.7941 9.972 2.7829 2.0341 2.6096 10.372 9.0347 11.017 3.53...3.59 21.774 19.331 20.418 23.203 19.352 21.089 20.786 18.439 21.851 3.59...3.61 2.3003 2.2371 2.49 4.409 3.8664 4.2762 2.5477 2.6676 3.0639 3.61...3.63 1.2019 1.3603 1.4726 3.6582 3.0945 3.2862 1.5065 1.4477 1.8843 3.63...3.69 17.097 13.93 17.471 43.878 36.052 39.355 16.262 13.596 13.642 3.69...3.74 61.009 52.64 55.549 7.3447 6.9551 7.4897 56.455 49.286 59.039 3.74...3.80 33.057 28.025 29.105 16.938 15.083 16.78 29.912 28.259 31.548 3.80...3.86 49.108 41.512 43.677 7.5816 7.2456 8.2082 44.483 39.722 47.109 3.86...3.88 2.5816 2.1694 2.5762 2.8874 2.7768 3.3906 3.1209 3.2587 2.8683 3.88...3.93 47.39 42.258 43.863 26.431 19.752 23.077 43.124 38.364 47.158 3.93...3.98 3.7629 4.0966 4.2289 5.6206 4.7185 5.8816 3.621 3.7848 6.5858 3.98...4.04 1.6449 1.1967 1.339 3.3309 2.0914 3.5662 1.2173 1.3195 4.5402 4.04...4.08 0.58609 0.76321 0.67366 3.5783 1.6945 3.3154 0.33 0.62613 2.7216 4.08...4.14 26.544 35.426 31.315 56.133 43.612 50.711 34.329 29.064 28.368 4.14...4.18 1.0954 0.47559 0.99362 0 1.1055 0.66845 1.1784 0.63337 2.8783 4.18...4.20 0 0 0 0 0 0 0 0 1.1118 4.20...4.22 0.096531 0 0.040958 0 0 0.066336 0.10579 0.040067 1.3187 4.22...4.26 0.42151 0.50163 0.5049 0.61045 0.42676 0.74063 0.52662 0.58892 2.4328 4.26...4.30 1.1789 0.98321 0.86893 0.010416 0 0.022029 0.84834 1.3684 3.2258 4.30...4.35 1.3001 2.6358 2.2055 0.011868 0.051216 0.12305 2.3623 2.7473 5.1337 4.35...4.40 0 0.0081985 0 0 0.018939 0.017021 0 0.043879 2.4179 4.40...4.43 0 0.005973 0 0.0024129 0 0 0 0 1.5429 4.43...4.48 0 0 0.01404 0.0087913 0.023268 0.0098739 0.0072535 0 1.9231 4.48...4.53 0.10214 0.04766 0.040027 0 0 0 0.059581 0.11938 1.8422 4.53...4.55 0.0096793 0 0 0.0062302 0 0 0 0 0.91466 4.55...4.59 0.018735 0.016036 0.011952 0 0.049461 0.021199 0.023155 0.02385 1.3197 4.59...4.61 0 0 0 0 0 0 0 0 0.71469 4.61...4.67 22.21 18.957 19.704 0 0.0072998 0.015182 19.266 16.358 23.043 4.67...4.69 0.075862 0.071825 0.038878 0 0 0 0.042774 0.047794 1.1981 4.69...4.70 0 0 0 0 0 0.0066343 0.004187 0 0.50018 5.22...5.24 21.802 18.624 19.036 0 30.757 0 19.192 16.858 20.039 5.24...5.26 2.5873 2.7402 2.5356 0 22.287 0 2.2768 2.5817 2.2983 5.26...5.32 17.858 19.394 18.241 1.5015 43.784 1.0561 17.215 21.778 15.843 5.32...5.38 3.0512 2.5385 2.4518 0 14.41 0 2.3211 3.5773 2.4762 5.38...5.43 0.17817 0.057393 0.068152 0.028552 0.59647 0.0013252 0.2031 0.068125 0.15 5.43...5.48 0 0 0 0 0 0 0.007694 0 0.0045679 5.48...5.52 0 0 0.015957 0 0 0 0 0 0 5.52...5.58 0 0 0 0.28473 0.095484 0.12705 0.0081317 0 0 5.58...5.62 0.022089 0.018745 0.020226 0.018855 0 0 0 0.00071807 0.0089675 5.62...5.67 0 0 0 0 0.032681 0.010342 0 0 0 5.67...5.69 0.0020292 0 0.00039719 0 0 0 0.019805 0 0 5.69...5.75 0 0 0 0 0 0.011309 0 0 0 5.75...5.78 0.043809 0.0072115 0.015602 0 0 0 0.032303 0.0011158 0.019934 5.78...5.84 0.0014162 0.00082924 0 0.0096678 0 0.058262 0 0 0 5.84...5.87 0 0 0 0 0 0.001889 0 0.005283 0.0091389 5.87...5.89 0.015822 0.0042986 0.0048963 0.042037 0.028205 0 0 0.0064957 0.014219 5.89...5.95 0.084361 0.12213 0.0025374 0 0 0 0.076832 0 0.070754 5.95...6.00 0 0.0032835 0.0073677 0.00069634 0 0.00043562 0 0 0 6.00...6.04 0 0 0 0 0.00686 0.015074 0.0060667 0.0020947 0.021569 6.04...6.06 0 0.011555 0.013878 0 0 0 0 0.012006 0 6.06...6.10 0.012667 0 0 0 0.010039 0 0.0044888 0.00095329 0.002541 6.10...6.13 0 0.024168 0 0.0067478 0 0 0 0 0 6.13...6.19 0.0056561 0 0 0 0 0.022287 0 0 0.0036283 6.19...6.25 0 0.022304 0.007221 0.049721 0 0 0.0042516 0 0.011043 6.25...6.30 0.018139 0 0.0034978 0 0.0043302 0.035017 0.0088713 0.0037196 0 6.30...6.32 0 0 0 0 0 0 0 0.011458 0 6.32...6.36 0 0 0.0030043 0 0.00084027 0 0.003626 0 0 6.36...6.40 0.0040111 0.005837 0.0052482 0.030327 0.013179 0.01966 0 0.010526 0.0017804 6.40...6.43 0 0 0.0087116 0 0.0017664 0 0.0074375 0 0 6.43...6.47 0 0 0 0 0.0068063 0 0 0 0.00011109 6.47...6.50 0.0053707 0 0 0.029406 0 0.00188 0.0080479 0 0 6.50...6.53 0 0.006287 0.019592 0 0.044615 0.010233 0.018409 0.0067026 0.0094018 6.53...6.56 0.012369 0.011753 0.00092526 0.037246 0 0.011236 0 0 0 6.56...6.61 0 0 0 0.010479 0 0.0055698 0.0085282 0 0.0015312 6.61...6.66 0.002766 0 0 0.010181 0 0 0.0009411 0.0049693 0 6.66...6.70 0.0026315 0.011683 0.00023042 0 0 0 0 0 0 6.70...6.75 0 0.0014728 0 0.017522 0 0 0 0 0 6.75...6.79 0 0 0.0062353 0 0 0 0.0034277 0.010418 0.017839 6.79...6.81 0.006004 0 0 0 0 0 0.01408 0 0 6.81...6.85 0.011543 0.044253 0.024564 0.020884 0.035141 0.061339 0 0.015427 0.01356 6.85...6.91 0.19633 0.39319 0.26013 1.0412 0.81905 0.99386 0.391 0.39255 0.29805 6.91...6.95 0 0 0.01112 0.003137 0 0.014657 0 0.014793 0.0099725 6.95...7.00 0 0.016238 0 0.13798 0.099575 0.10708 0.015106 0.0020521 0.023213 7.00...7.05 0.14895 0.083351 0.18967 0.019677 0.036833 0.29376 0.1406 0.13833 0.070665 7.05...7.07 0 0 0 0 0 0 0 0 0 7.07...7.13 0.00058085 0.017148 0.014722 0.0048827 0.013194 0 0.020034 0 0.0083811 7.13...7.16 0 0 0 0 0 0.0031042 0 0 0.0012212 7.16...7.21 0.15396 0.28648 0.14738 1.4113 1.0366 1.2108 0.44745 0.30637 0.17984 7.21...7.24 0 0 0 0 0 0 0 0 0 7.24...7.28 0.02173 0.0072783 0.0079331 0 0.027769 0.034866 0.013013 0.0033964 0.0080923 7.28...7.34 0.35213 0.34201 0.28242 1.7551 1.208 1.4189 0.24108 0.31177 0.33469 7.34...7.39 0.0060967 0.068443 0.010874 0.68247 0.55106 0.587 0 0.0025735 0.020366 7.39...7.44 0.20166 0.0014485 0.0088303 1.0302 0.63193 0.87178 0.091993 0.087118 0.071393 7.44...7.49 0 0 0 0 0 0 0 0 0 7.49...7.51 0.011596 0 0 0 0 0 0 0 0.014306 7.51...7.55 0 0 0.0045815 0.097241 0.032 0.28028 0.0046558 0.0083909 0 7.55...7.57 0 0.002231 0.0058492 0 0 0 0 0 0 7.57...7.61 0.011872 0 0 0.0030959 0.0036679 0.018618 0.0045719 0 0 7.61...7.65 0 0 0.00076256 0 0 0 0.0043883 0 0.014785 7.65...7.70 0.01146 0 0 0.064119 0 0.035603 0.0011269 0.012983 0.00050302 7.70...7.76 0.066549 0.095943 0.045692 0.007835 0.15331 0.26896 0.042672 0.085468 0.086139 7.76...7.79 0 0.0063638 0 0 0 0.014394 0 0 0 7.79...7.82 0 0 0 0.077201 0.027892 0.068122 0.0040966 0 0 7.82...7.87 0.008017 0.03668 0.037768 0 0.015818 0 0.024229 0.026308 0.022711 7.87...7.93 0 0 0 0 0 0 0 0 0 7.93...7.98 0 0 0 0 0 0.023256 0.0089304 0.007771 0 7.98...8.01 0 0.0090405 0.015637 0.018729 0.014681 0.0016266 0 0 0 8.01...8.05 0.0058848 0 0.0030972 0 0 0.015027 0.011831 0 0.008479 8.05...8.11 0 0 0.012982 0.00052322 0.0042781 0 0 0 0.010362 8.11...8.15 0.010684 0 0 0 0 0 0.014761 0.023343 0 8.15...8.18 0 0 0.021723 0.028451 0 0.013268 0 0 0.0018665 8.18...8.21 0.0046029 0.00050074 0 0 0.0087465 0.011834 0.0076663 0.0094484 0 8.21...8.24 0 0.0067729 0 0 0 0 0.0004029 0 0.0025488 8.24...8.29 0.010649 0 0.0083161 0 0 0 0 0.00084324 0 8.29...8.32 0.011998 0.0059169 0.013698 0.025352 0.053091 0.061562 0.023464 0.024023 0.018432 8.32...8.34 0.00026707 0 0 0 0 0 0 0 0 8.34...8.39 0 0 0.015158 0 0 0.0069882 0 0 0.010805 8.39...8.40 0 0 0 0 0 0 0.0084549 0.014462 0 8.50...8.54 0.00065113 0 0 0.018103 0 0 0 0 0 8.54...8.58 0 0 0 0 0 0 0 0 0 8.58...8.60 0.040249 0.028127 0.027601 0.10065 0.023779 0.059323 0.01374 0.01094 0.062218 8.60...8.63 0 0 0 0.01001 0.001496 0 0 0.0041053 0.0055599 8.63...8.68 0.0030624 0.0051617 0 0 0 0 0.0056839 0 0.0013979 8.68...8.74 0 0 0 0.016459 0 0.010595 0.0031636 0.0077784 0 8.74...8.79 0 0 0.0051491 0 0.0016273 0.00022048 0.003018 0 0.010216 8.79...8.82 0.0030592 0 0.0062645 0 0 0 0 0.010261 0.0044572 8.82...8.87 0.0020772 0.014209 0 0.000039807 0.019541 0 0.011001 0 0 8.87...8.92 0 0 0 0 0.0065693 0.028635 0 0.0039209 0 8.92...8.96 0.00057358 0 0.0091457 0.0072522 0 0 0.01285 0 0 8.96...8.99 0 0.0070735 0 0.03207 0.014276 0.024843 0.0093987 0 0 8.99...9.00 0.0090408 0.0038967 0.0097005 0 0 0 0 0 0 NMR_BINNED_DATA_END #END