#METABOLOMICS WORKBENCH kenanazam_20160315_105251 STUDY_ID:ST000366 ANALYSIS_ID:AN000599 PROJECT_ID:PR000291 VERSION 1 CREATED_ON March 15, 2016, 11:56 am #PROJECT PR:PROJECT_TITLE Microbiomic analysis in African American with Colonic Lesions PR:PROJECT_TYPE Microbiome PR:PROJECT_SUMMARY Increasing evidence suggests a role in colorectal carcinogenesis to the gut PR:PROJECT_SUMMARY microbiota. However, no specific bacteria have been unequivocally linked to PR:PROJECT_SUMMARY either initiation or progression of colorectal cancer (CRC). A Microbiome PR:PROJECT_SUMMARY analysis was conducted to analyze the microbiota composition and functional PR:PROJECT_SUMMARY potential in African Americans with colorectal lesions with the goal of PR:PROJECT_SUMMARY detecting markers of diagnostic value. DNA from 10 CRC tumors and their matched PR:PROJECT_SUMMARY normal tissues as well as stool samples from 10 colon adenomas and 10 healthy PR:PROJECT_SUMMARY subjects were analyzed for their bacterial composition and genomic content. 16S PR:PROJECT_SUMMARY rDNA amplicons were analyzed by HITChip 16S microarray and by sequencing in PR:PROJECT_SUMMARY stool samples and colon tissues, respectively. The functional potential was PR:PROJECT_SUMMARY determined by sequence-based metagenomics using Illumina at a depth of 15 PR:PROJECT_SUMMARY million reads per tissue sample to compensate for the host’s DNA presence. For PR:PROJECT_SUMMARY the stools, the metagenomic sequencing was performed at 3 million reads per PR:PROJECT_SUMMARY sample. Metagenomic Linkage Groups (MLGs) were established and those with high PR:PROJECT_SUMMARY discriminative power between healthy and neoplastic specimens were analyzed for PR:PROJECT_SUMMARY their genetic content. Also, metagenomic reads from stool samples were mapped PR:PROJECT_SUMMARY against bacterial genes from tissues and reads from tissues were mapped against PR:PROJECT_SUMMARY stools assembled bacterial genes to identify common markers with discriminative PR:PROJECT_SUMMARY power. PR:INSTITUTE Howard University, Washington, DC PR:DEPARTMENT Department of Pathology and Cancer Center PR:LAST_NAME Brim PR:FIRST_NAME Hassan PR:ADDRESS 2041 Georgia Avenue, N.W., Washington, DC 20060 PR:EMAIL hbrim@howard.edu PR:PHONE 202-806-4198 PR:FUNDING_SOURCE NIH #STUDY ST:STUDY_TITLE Metabolomics analysis of colon adenoma in African Americans ST:STUDY_TYPE Metabolomics ST:STUDY_SUMMARY This NMR Metabolomics analysis was performed on feces samples derived from ST:STUDY_SUMMARY healthy (n = 10) and adenoma (n = 10) African American subjects with the goal of ST:STUDY_SUMMARY identifying perturbations in metabolomics profiles in colon cancer. ST:INSTITUTE RTI International ST:DEPARTMENT Systems and Translational Sciences ST:LABORATORY NIH Eastern Regional Comphrehensive Metabolomics Resource Core ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 3040 E. Cornwallis Road ST:EMAIL ssumner@rti.org ST:PHONE 919-541-7479 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 20 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and Female SU:HUMAN_RACE African American #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CC0839 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0872 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0883 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0885 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0899 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0901 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0904 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0911 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0944 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC0995 Condition:Adenoma SUBJECT_SAMPLE_FACTORS - CC01068 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0868 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0890 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0895 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0908 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0914 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0929 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0961 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0981 Condition:Normal SUBJECT_SAMPLE_FACTORS - CC0990 Condition:Normal #COLLECTION CO:COLLECTION_SUMMARY None CO:STORAGE_CONDITIONS -70C #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fecal samples (20 mg) were mixed with 1000 μL of D2O, mixed thoroughly by SP:SAMPLEPREP_SUMMARY vortexing, and then centrifuged at 16000 x g for 20 min. The supernatants were SP:SAMPLEPREP_SUMMARY removed and filtered through 0.22μ centrifuge filters at 16000 x g for 20 SP:SAMPLEPREP_SUMMARY minutes. 540 μl of the filtrate was mixed with 60 μl of Chenomix Internal SP:SAMPLEPREP_SUMMARY Standard mixture (containing DSS, Imidazole, and NaN3 in D2O). Aliquots of 550 SP:SAMPLEPREP_SUMMARY μl were then transferred into 5mm NMR tubes. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker950 MHz NM:INSTRUMENT_TYPE Other NM:NMR_EXPERIMENT_TYPE Other NM:NMR_COMMENTS nmr experiment type: noesypr1d NM:FIELD_FREQUENCY_LOCK Deuterium NM:STANDARD_CONCENTRATION 0.5 mM NM:SPECTROMETER_FREQUENCY 950 MHz NM:NMR_PROBE 5 mm ATMA Cryoprobe NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 5mm, 7 inch NM:SHIMMING_METHOD Topshim NM:PULSE_SEQUENCE noesypr1d NM:WATER_SUPPRESSION yes NM:PULSE_WIDTH 8.44 us NM:POWER_LEVEL 12.589 W NM:RECEIVER_GAIN 4 NM:OFFSET_FREQUENCY 4471.1 Hz NM:PRESATURATION_POWER_LEVEL 0.00003588 W NM:CHEMICAL_SHIFT_REF_CPD DSS NM:TEMPERATURE 298.1 K NM:NUMBER_OF_SCANS 256 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 1.075 s NM:RELAXATION_DELAY 2 s NM:SPECTRAL_WIDTH 16 ppm, 15.243 kHz NM:NUM_DATA_POINTS_ACQUIRED 32k NM:REAL_DATA_POINTS 32k NM:LINE_BROADENING 0.5 Hz NM:ZERO_FILLING yes NM:APODIZATION Lorentzian NM:BASELINE_CORRECTION_METHOD Polynomial NM:CHEMICAL_SHIFT_REF_STD DSS NM:BINNED_INCREMENT 0.04 NM:BINNED_DATA_EXCLUDED_RANGE 4.68 - 4.88 (water) #NMR_BINNED_DATA NMR_BINNED_DATA:UNITS Peak area NMR_BINNED_DATA_START Bin range(ppm) CC0839 CC0872 CC0883 CC0885 CC0899 CC0901 CC0904 CC0911 CC0944 CC0995 CC01068 CC0868 CC0890 CC0895 CC0908 CC0914 CC0929 CC0961 CC0981 CC0990 0.5...0.54 -0.00032199 -0.00042401 -0.0005478 -0.00026403 -0.00010548 -0.00015522 -0.0004034 -0.00013731 -0.000065357 -0.000155 -0.000040423 -0.000081442 -0.000055968 -0.000061351 -0.00010945 -0.0000376 -0.000070437 -0.000087014 -0.00021186 -0.000071658 0.54...0.58 -0.00077665 -0.00071212 -0.0011756 -0.00074352 -0.00021915 -0.00023139 -0.00089591 -0.00029555 -0.0001705 -0.00033967 -0.00012837 -0.00014723 -0.000098395 -0.000084802 -0.00024816 -0.00011307 -0.0001922 -0.00017426 -0.00048713 -0.00015975 0.58...0.62 -0.00076827 -0.00067718 -0.0013594 -0.00073708 -0.00011283 -0.00016759 -0.0010223 -0.00031906 -0.00025242 -0.00033207 -0.000095744 -0.00016266 -0.000098767 0.00005677 -0.000198 -0.00016099 -0.00018785 -0.00012977 -0.00052075 -0.00015672 0.62...0.66 0.026836 0.028811 0.023647 0.033651 0.014826 0.021571 0.022625 0.0074557 0.007541 0.011874 0.0067464 0.0039665 0.0075657 0.016253 0.012919 0.008707 0.0077587 0.0071084 0.017356 0.010085 0.66...0.7 -0.00096638 -0.00068323 -0.0012495 0.0001708 0.00022829 0.00023689 -0.00098565 -0.00018036 -0.000053595 -0.00019293 -0.00014722 -0.00011987 -0.00011564 0.00048172 0.00019938 -0.000076453 -0.00025261 -0.000081151 -0.00013303 -0.000087143 0.7...0.74 -0.00031199 0.00017113 -0.0010442 0.002232 0.0044418 0.0022717 -0.0008384 -0.00013409 0.00040924 0.00068272 0.00011428 0.000083804 -0.000051938 0.0017725 0.0015334 -0.00021164 -0.0002707 0.00010213 0.00071871 0.000074063 0.74...0.78 -0.0010105 -0.0004398 -0.0014138 -0.00071058 0.0005996 0.00055275 -0.0011836 -0.00016834 -0.00028098 0.0000774 -0.00027692 -0.0001831 -0.00016399 0.00093173 0.00051344 -0.00027969 -0.00037301 -0.00001067 -0.00092159 -0.00033085 0.78...0.82 0.000059985 0.0010423 0.00015077 -0.00024758 0.0021254 0.0019226 0.00017329 0.000056327 1.3262E-06 0.00068133 -0.000078605 4.3747E-06 0.00013145 0.0029121 0.0014385 -0.00021159 -0.00019509 0.00037306 -0.00062651 -0.0001398 0.82...0.86 0.001453 0.0025317 0.0014598 -0.00060278 0.0027005 0.0036765 0.0019919 0.00098691 0.00054257 0.0025137 0.0002417 0.00061195 0.00038733 0.0036712 0.0019464 -0.0001561 0.000090911 0.0016247 0.00023702 0.000098644 0.86...0.9 0.014882 0.016684 0.0092909 0.012526 0.017395 0.016392 0.018959 0.0088096 0.0066351 0.014155 0.0025476 0.0038844 0.0034565 0.017782 0.0054363 0.001089 0.0026295 0.007324 0.0044368 0.0024798 0.9...0.94 0.024969 0.031754 0.017837 0.030493 0.035618 0.029203 0.03661 0.01217 0.0065685 0.025792 0.0034471 0.002752 0.0038679 0.031024 0.010046 0.0017272 0.0036744 0.0035963 0.005601 0.0036797 0.94...0.98 0.03586 0.029294 0.027469 0.023677 0.017899 0.036224 0.029493 0.0094196 0.0072211 0.013893 0.0023325 0.0028044 0.0029887 0.034308 0.045452 0.0016035 0.0038545 0.0025385 0.0039347 0.002971 0.98...1.02 0.016753 0.013267 0.013201 0.0075508 0.0082988 0.018776 0.015153 0.0039434 0.002884 0.0059591 0.00043081 0.00061236 0.00051842 0.016716 0.023772 0.00054685 0.00092486 0.00073021 0.0001596 0.00075745 1.02...1.06 0.018027 0.019002 0.015974 0.015091 0.01536 0.020451 0.024307 0.0053662 0.002528 0.0097072 0.0002719 0.00017409 0.000018621 0.024517 0.022592 0.00043504 0.00018377 0.00031435 -0.00061223 0.00058447 1.06...1.1 0.0090763 0.019231 0.0092995 0.024221 0.028481 0.01396 0.029311 0.0058036 0.00090486 0.0119 0.00034699 -0.000052172 -5.2965E-06 0.02725 0.0024899 0.00003383 -0.00035998 0.00024964 -0.00094129 0.00073331 1.1...1.14 0.0012528 0.001208 -0.00029641 0.00049355 0.0061414 0.0053094 0.000049729 -0.000046713 0.000029079 0.014463 -0.00023567 -0.000034146 -0.00023631 0.0049996 0.0035755 -0.00044858 -0.00051101 0.000291 -0.00046334 -0.00027663 1.14...1.18 0.0010967 0.005035 0.0020437 0.00051318 0.0039299 0.0052835 0.0029397 0.0032417 0.00035674 0.0032637 -0.000011492 0.00027226 0.00027399 0.0072354 0.02623 -0.000028464 -0.00019468 0.00080005 -0.00042733 -0.000018115 1.18...1.22 0.0015582 0.0042641 0.00042716 0.0027266 0.0041854 0.0062668 0.000060829 0.0027451 0.0008279 0.001996 0.00016027 0.00059571 0.0006172 0.0062525 0.021186 0.0001276 0.00020934 0.0015729 0.000052911 0.00031175 1.22...1.26 0.00013322 0.0029589 -0.00018236 0.0019314 0.0039628 0.004597 0.00027356 0.0010498 0.0018296 0.0013462 0.00042888 0.0015509 0.00069958 0.005419 0.0046558 -0.000031333 0.00022996 0.0041606 0.000781 0.00040632 1.26...1.3 0.0075174 0.0077781 0.0044623 0.0064511 0.0084149 0.010544 0.0063362 0.010708 0.012525 0.0098646 0.0025577 0.0076795 0.0054009 0.01416 0.0087172 0.00087063 0.001474 0.021168 0.0087014 0.002179 1.3...1.34 0.013835 0.016569 0.012175 0.013174 0.015582 0.020262 0.014407 0.0067501 0.012719 0.0093938 0.0023978 0.008444 0.0034135 0.026479 0.012411 0.0012837 0.0015422 0.019184 0.0088288 0.0026721 1.34...1.38 0.0022715 0.0055071 0.0029301 0.0028136 0.0065323 0.0090516 0.0023707 0.0016775 0.0023197 0.0025653 0.00044067 0.0019827 0.00062854 0.010992 0.0060139 0.00018461 0.00030087 0.0043157 0.0017939 0.00059915 1.38...1.42 0.00080506 0.0043347 0.0012132 0.0047533 0.0099295 0.010142 0.0020225 0.0013679 0.0018731 0.0023 0.00048255 0.0012831 0.00041127 0.0092081 0.0040304 0.00050879 0.00012453 0.0028685 0.00089721 0.0003141 1.42...1.46 0.0040462 0.0048843 0.0036201 0.0040392 0.0097411 0.0090896 0.00314 0.0018838 0.0024985 0.002852 0.00091193 0.0010251 0.0014042 0.0080341 0.0083545 -0.000024686 0.00035992 0.002889 0.0011474 0.00067326 1.46...1.5 0.031099 0.023588 0.023543 0.01407 0.025259 0.028948 0.025268 0.0051596 0.0039821 0.0095091 0.00083347 0.0012142 0.00089318 0.02296 0.031517 0.0020055 0.001248 0.002276 0.0018099 0.0017566 1.5...1.54 0.0077271 0.010438 0.0071783 0.0054056 0.013504 0.013367 0.0084393 0.0027945 0.0022804 0.004981 0.00021905 0.00068899 0.00028018 0.013513 0.0088304 0.00057415 0.00014269 0.0022992 0.0012076 0.0010348 1.54...1.58 0.014732 0.015779 0.008585 0.018298 0.024944 0.017936 0.018058 0.0068111 0.0035797 0.017304 0.00098034 0.0013177 0.00094166 0.016148 0.0052892 0.00072419 0.00017191 0.0045877 0.00063751 0.00093444 1.58...1.62 0.0042989 0.0090275 0.0042495 0.0046784 0.0087567 0.0090915 0.0041445 0.00163 0.001449 0.004193 0.00071617 0.00066545 0.0008995 0.0086295 0.0055956 0.00039553 0.00071504 0.0016301 0.0019227 0.0009084 1.62...1.66 0.0014505 0.0054376 0.0016338 0.0077023 0.0089417 0.0068709 -0.0010212 0.00082091 0.00099974 0.0065422 0.00024996 0.00015978 0.00018132 0.006039 0.0052114 -0.000098384 0.000045481 0.00039213 0.00074519 0.00030893 1.66...1.7 0.0026453 0.0039858 0.002693 0.00055664 0.0081716 0.0099998 0.00074041 0.0011684 0.0005806 0.0027036 0.000022475 0.000062126 0.00018969 0.008238 0.0073816 -0.000060712 0.00010204 0.000048922 -0.00061647 0.000024621 1.7...1.74 0.01117 0.0095352 0.0091411 0.0088248 0.032323 0.013574 0.0097802 0.0029312 0.0013551 0.0052723 0.00022692 0.00037602 0.00030013 0.013121 0.016884 0.00029546 0.00055753 3.1278E-06 0.00015117 0.00045578 1.74...1.78 0.022391 0.023925 0.019478 0.024609 0.018769 0.022889 0.018116 0.0059053 0.0055272 0.014106 0.0044264 0.0025071 0.004808 0.019567 0.018195 0.0056843 0.0051562 0.0044105 0.011508 0.0066189 1.78...1.82 0.0098914 0.01255 0.01101 0.013707 0.011561 0.012899 0.0087216 0.0031061 0.0025384 0.0057146 0.0021104 0.0010477 0.0024699 0.010182 0.0076149 0.0030599 0.002389 0.0022517 0.0061084 0.003462 1.82...1.86 -0.000508 0.0013385 0.0013249 0.00044083 0.0045478 0.0037771 -0.00086606 0.00030683 -0.00012445 0.00090707 -0.0003284 -0.0002541 -0.00035218 0.0031578 0.0029972 -0.00024779 -0.000321 -0.00039473 -0.00070716 -0.00032518 1.86...1.9 0.0034309 0.0045136 0.0049639 0.001688 0.0076632 0.0080857 0.0031881 0.0012807 0.00052288 0.0021854 0.000015507 0.00024145 -0.0000956 0.0065789 0.0073843 -0.00012553 -0.000042231 -0.00025712 0.00017458 -4.1691E-06 1.9...1.94 0.062486 0.026987 0.051784 0.1234 0.067271 0.023725 0.12714 0.012658 0.0052166 0.023053 0.0017765 0.00048029 0.0010978 0.026769 0.02132 0.0039547 0.0012771 0.000099603 0.000056583 0.0032939 1.94...1.98 0.0028163 0.0042358 0.0038132 0.00055229 0.0069756 0.0074671 0.0030232 0.00099175 0.00012995 0.0026572 -0.00013947 0.00012385 -0.0001035 0.0069394 0.0045194 -0.00022025 -0.00025361 0.00019647 -0.00054503 -0.00031889 1.98...2.02 0.0047594 0.0042563 0.0045025 0.0055766 0.0081818 0.0098867 0.0051689 0.00069303 0.00047846 0.0023275 -0.000075074 0.00044301 -0.000094281 0.0084709 0.0077728 0.000031142 -0.000056679 0.0003142 -0.00019478 -0.0000584 2.02...2.06 0.0099312 0.0062427 0.01142 -0.000019912 0.0082248 0.010018 0.0077882 0.0025753 0.0015866 0.003813 0.00043812 0.0012556 0.00016805 0.009437 0.0081004 0.00082831 0.00072847 0.00077322 0.00053897 0.0005904 2.06...2.1 0.011398 0.0074088 0.013076 0.0010172 0.0089593 0.011342 0.010028 0.0021607 0.0008104 0.0038086 0.00013144 0.00032609 0.00007236 0.009727 0.0098529 0.000026789 0.00022494 0.00035551 0.00059481 0.00023052 2.1...2.14 0.0097514 0.0055676 0.010843 0.0054357 0.0085855 0.0093384 0.0062461 0.0020631 0.00071701 0.0041757 0.00020256 0.0003495 0.00029492 0.0081823 0.010585 0.00010863 0.00038945 0.00026474 0.00086256 0.00030144 2.14...2.18 0.019464 0.016779 0.014854 0.025416 0.024004 0.015982 0.024898 0.0071488 0.0024552 0.017757 0.00093162 0.00059904 0.00067165 0.016359 0.010682 0.00099921 0.00045387 0.0016975 0.00033831 0.0010627 2.18...2.22 0.012457 0.017526 0.01259 0.02201 0.026674 0.010975 0.02472 0.0052437 0.0016885 0.010453 0.00062063 0.000832 0.00027786 0.022306 0.0049554 0.00040109 0.00012035 0.0017 0.00046874 0.00097459 2.22...2.26 0.0082294 0.010965 0.0086689 0.0047387 0.0088356 0.0099729 0.0038727 0.0016369 0.00092576 0.0039343 0.00065548 0.00046595 0.00047922 0.0067237 0.0049786 0.00038969 0.00040013 0.0009254 0.001866 0.0006449 2.26...2.3 0.0048866 0.0072722 0.0051772 0.00063404 0.0054665 0.0084824 0.0044732 0.0011596 0.00030376 0.0081567 0.00014921 0.000085267 0.000042812 0.0072469 0.0069509 0.00010702 0.00014898 0.00010878 0.00041606 0.00017693 2.3...2.34 0.0016455 0.00085259 0.0014401 -0.00085276 0.0036864 0.003246 0.00068414 0.00032053 -0.00017799 0.001749 -0.00014808 -0.000057052 -0.000083859 0.0030016 0.002887 -0.00013026 -0.000094209 -0.00019959 -0.00022066 -0.00014145 2.34...2.38 0.018903 0.0075537 0.020162 0.00071628 0.0081695 0.010331 0.012846 0.0026205 0.00089548 0.0042837 0.000013049 0.00012917 -0.00019645 0.0087155 0.016174 -0.000040771 0.00008416 -0.00022914 -0.00024289 0.00013605 2.38...2.42 0.0071785 0.0013971 0.003305 -0.00039217 0.0034757 0.0059157 0.0034438 0.00096007 0.00061286 0.0014753 -0.00012695 -0.00020305 -0.00033961 0.0024999 0.0032757 0.00010471 -0.00023613 -0.00032197 -0.00033476 0.000014075 2.42...2.46 0.00066913 -9.2983E-06 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-0.000074558 0.001021 -0.00010921 0.00032725 0.00025743 0.000095574 0.00060379 0.000039478 0.00038258 -5.1422E-06 -1.6981E-06 -0.000072278 2.62...2.66 0.0012698 -0.000048283 0.0012406 -8.6486E-06 0.00092814 0.002346 0.0015523 0.00086122 -0.0002425 0.0005309 -0.00018768 0.000061642 -0.00013025 0.0012705 0.0029485 0.000017034 0.000037919 -0.00015183 -0.0001103 -0.00020316 2.66...2.7 0.0012801 0.00082373 0.0012408 0.00029294 0.001235 0.0016235 0.001544 0.00057918 0.000042364 0.0011993 -0.00011745 0.0000528 -0.000091441 0.0028726 0.0036878 -0.000071858 0.000038325 -0.00010972 -0.00011593 -0.000026474 2.7...2.74 0.00001034 -0.00081828 0.000053513 -0.00027774 0.0015003 0.00024432 0.0010354 0.0083331 0.010381 0.001854 0.0041199 0.0065551 0.0028771 0.00019269 0.00013788 0.0041456 0.0075599 0.0038763 0.0022031 0.0048043 2.74...2.78 -0.000008173 -0.00095303 0.000044593 -0.00045517 0.00023712 0.00020088 0.00013387 0.00010217 -0.000030454 0.00014127 -0.00010438 -0.00014161 -0.0001793 0.0005064 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0.053495 0.010707 0.02069 0.0045633 0.016396 0.0091049 0.0025741 0.0024783 0.0070205 0.018617 0.0062474 0.0063805 0.0043516 3.14...3.18 0.0043319 0.0052897 0.0049975 0.0044723 0.0034986 0.0062406 0.0042639 0.074847 0.015582 0.029297 0.0075028 0.023954 0.013913 0.0055981 0.0046999 0.010992 0.027153 0.0098609 0.010156 0.0070084 3.18...3.22 0.0018918 0.00058474 0.0012501 0.0019166 0.0074895 0.0048028 0.0046873 0.0067173 0.0056949 0.0028144 0.0040459 0.011455 0.0025741 0.0041805 0.001807 0.0026772 0.0052059 0.0029626 0.0020444 0.0031129 3.22...3.26 0.0021892 -0.00046842 0.00084199 0.004046 0.0023761 0.0011944 -0.000092384 0.012785 0.098083 0.0030699 0.087847 0.10421 0.080143 0.003636 0.0025003 0.12393 0.079738 0.068331 0.0037089 0.088679 3.26...3.3 -0.00040461 -0.0014652 -0.00073838 0.002197 0.00080436 0.00071687 -0.00048536 0.001112 0.003772 0.00017799 0.00077592 0.00099115 0.00035028 0.00087604 0.0027584 0.0016537 0.0010927 0.00045767 0.044124 0.0010471 3.3...3.34 -0.00012652 -0.001149 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5.0774E-06 0.000016285 1.8679E-06 -0.000022449 0.000028236 4.3938E-06 -0.000001568 -9.4483E-06 3.0501E-06 -0.000024975 0.000022355 -3.1143E-06 -0.000010505 -0.00007566 6.2677E-07 NMR_BINNED_DATA_END #END