######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 36771 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Chemical_shift_list assigned_chemical_shifts_1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format unknown _Spectral_peak_list.Text_data ; Number Position F1 Position F2 Position F3 Volume 1 8.3362 114.21688 3.98707 1171150.0 2 8.47037 122.73916 4.02012 3000690.0 3 8.47004 122.73916 3.0459 1965500.0 4 8.4741 122.73916 3.30503 1406750.0 5 8.47089 122.73916 4.56865 1051900.0 6 10.34174 129.44037 2.03997 1020110.0 7 10.34089 129.44037 2.26373 1191020.0 8 10.343 129.44037 3.34167 871928.0 9 10.34696 129.44037 4.02444 882360.0 10 10.34246 129.44037 8.46626 589639.0 11 10.34308 129.44037 4.56105 886188.0 12 10.34357 129.44037 3.89154 629278.0 13 10.34151 129.44037 2.09779 947123.0 14 9.03922 125.94497 4.57062 7437780.0 15 9.04075 125.92165 2.06752 3352440.0 16 9.03694 125.95289 8.30171 824078.0 17 9.0389 125.95196 2.24952 1190520.0 18 9.03349 125.95196 3.30676 872055.0 19 9.03842 125.95196 3.03847 627249.0 20 8.28738 125.72534 4.5033 40878600.0 21 8.28568 125.70287 4.22765 6170520.0 22 8.2865 125.73534 1.78514 18003200.0 23 8.28615 125.72534 0.93805 15880800.0 24 8.286 125.74039 0.6347 4883630.0 25 8.89105 126.28161 4.39992 18176000.0 26 8.89032 126.26413 3.83989 5845060.0 27 8.88824 126.25565 2.32539 2983640.0 28 8.891 126.28188 2.08822 13893700.0 29 8.89075 126.2666 1.71284 2064790.0 30 8.88802 126.2666 2.54126 2821180.0 31 8.89022 126.2666 4.07279 1039850.0 32 8.71578 117.51082 4.08499 6029480.0 33 8.7132 117.44972 2.08219 5651140.0 34 8.7147 117.50015 1.39174 13909000.0 35 8.71412 117.44972 3.84986 1767520.0 36 7.28221 112.61391 4.07302 4471830.0 37 7.28087 112.62643 3.82586 3237140.0 38 7.28222 112.62428 2.54076 4424510.0 39 7.28026 112.61918 1.44064 12606300.0 40 7.28297 112.62147 0.63435 4167690.0 41 7.2804 112.60574 8.71573 6203430.0 42 7.28463 112.62147 3.21686 1569260.0 43 7.28267 112.62147 2.86418 1014890.0 44 7.28218 112.62147 0.80394 2116270.0 45 7.2812 112.62147 0.8809 2080360.0 46 7.3167 117.82424 3.829 5968630.0 47 7.31276 117.78268 3.23367 8297010.0 48 7.31622 117.82826 1.69871 21563400.0 49 7.3148 117.80393 1.418 18234100.0 50 7.31465 117.80419 0.85631 11463600.0 51 7.31312 117.79129 2.86787 1733610.0 52 7.31223 117.79129 4.06997 1771140.0 53 7.31133 117.79129 4.2804 2795560.0 54 7.32018 117.79129 8.85706 898521.0 55 7.26125 114.145 4.72487 9019520.0 56 7.26244 114.15087 2.86406 12482300.0 57 7.26299 114.15382 1.69511 8681590.0 58 7.2651 114.16437 0.65185 3250060.0 59 7.26319 114.17064 0.88257 1853360.0 60 7.26177 114.17064 2.07566 1941850.0 61 7.26343 114.17064 0.7985 1759320.0 62 7.15493 123.72445 4.47805 5253570.0 63 7.15259 123.74187 4.30678 6716690.0 64 7.15407 123.73723 4.11201 13325500.0 65 7.15478 123.75922 2.85489 3356090.0 66 7.15643 123.72445 9.10247 1448170.0 67 7.15637 123.72445 0.6626 1351080.0 68 7.15344 123.72445 2.10281 37017700.0 69 7.15493 123.72445 4.64624 5085630.0 70 8.57052 127.53296 2.17003 11197600.0 71 8.56962 127.53708 7.16409 3777350.0 72 8.56982 127.53296 3.45432 1296900.0 73 8.29914 122.17578 2.9488 3292720.0 74 6.06364 105.27504 2.79223 2803900.0 75 6.0658 105.27504 2.19019 2653020.0 76 6.0658 105.27504 0.85921 1597990.0 77 6.07003 105.27504 8.26491 936600.0 78 7.44356 105.28237 6.06327 27407500.0 79 7.44438 105.2807 0.85013 2304850.0 80 7.44296 105.2807 8.31027 1325400.0 81 7.85902 124.47017 4.34659 11215100.0 82 7.85736 124.49487 3.42489 3139540.0 83 7.85835 124.45267 3.24327 4701510.0 84 7.85785 124.47047 2.18033 20995200.0 85 7.8582 124.47753 1.38262 22857000.0 86 7.85732 124.46687 0.65086 6113790.0 87 7.85833 124.46687 6.67683 1345840.0 88 8.24384 123.08841 4.55934 24504000.0 89 8.24554 123.0607 3.94295 17688500.0 90 8.24408 123.0921 3.11422 5598560.0 91 8.24363 123.08793 2.55376 9121610.0 92 8.24291 123.0607 0.74858 2971230.0 93 8.24455 123.0607 7.62751 1442510.0 94 8.24354 123.0607 1.37489 2172900.0 95 8.24349 123.0607 4.05334 10736200.0 96 8.24534 123.0607 0.80431 2553470.0 97 8.2434 123.0607 0.65893 1746360.0 98 8.06892 119.36536 3.92505 14275400.0 99 8.06916 119.35906 3.12161 25206400.0 100 8.06908 119.35693 2.54745 13349800.0 101 8.06888 119.36007 7.62419 8816340.0 102 7.60847 116.8907 3.90644 21874900.0 103 7.60756 116.88067 3.10084 3878440.0 104 7.60727 116.8943 1.37134 18952000.0 105 7.61004 116.89185 7.96168 19930300.0 106 7.60845 116.88067 4.09308 2631040.0 107 7.60815 116.88067 4.48532 1486410.0 108 7.60875 116.88067 2.55 2246970.0 109 7.60895 116.88067 1.62105 13895800.0 110 7.60774 116.88067 0.73501 1000720.0 111 7.93937 113.69682 3.92882 25806600.0 112 7.9388 113.70083 8.25334 19352600.0 113 7.93892 113.69682 2.53428 1269190.0 114 7.93875 113.69682 2.99115 1976450.0 115 7.93834 113.69682 3.30894 1477730.0 116 7.93969 113.69682 4.074 22529800.0 117 7.93609 113.69682 4.57049 2220770.0 118 7.9344 113.69682 8.56587 1958790.0 119 8.26463 114.9017 3.93982 26767800.0 120 8.26218 114.92011 1.47295 10229100.0 121 8.26236 114.90439 7.62347 2370310.0 122 8.26558 114.90439 2.80845 1311390.0 123 8.26407 114.90439 3.01672 1098330.0 124 8.26658 114.90439 3.12212 1056930.0 125 8.34267 121.05585 2.075 2944830.0 126 8.33874 121.03198 1.49001 7685880.0 127 8.3424 121.00049 7.94158 3374080.0 128 8.33763 121.01244 9.30497 2488200.0 129 8.33877 121.01059 8.5357 21565100.0 130 8.54692 120.68477 4.35673 4394840.0 131 8.5505 120.67896 3.88186 6183520.0 132 8.55075 120.69594 2.661 16911300.0 133 8.55113 120.70885 1.95114 20285100.0 134 8.54789 120.70885 7.6294 2725400.0 135 8.55194 120.68267 9.26885 14273100.0 136 8.55081 120.70885 2.80679 9803860.0 137 8.55108 120.70885 3.11296 1882770.0 138 8.55108 120.70885 3.48757 1973210.0 139 6.71152 109.92202 2.65056 2786360.0 140 6.71445 109.93127 2.13975 4034320.0 141 6.71336 109.94931 0.71704 5091000.0 142 6.71269 109.93127 1.94226 1111710.0 143 6.71269 109.93127 1.6129 2115930.0 144 6.86074 109.91033 2.6599 4295530.0 145 6.86067 109.95907 2.13866 6070160.0 146 6.86188 109.93045 1.62216 2599420.0 147 6.86047 109.91555 0.7162 6605150.0 148 6.86459 109.93045 4.08816 1040000.0 149 6.86367 109.93045 1.94283 1971320.0 150 9.27444 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9.27851 116.86554 1.49495 1116310.0 251 10.52663 108.48585 5.60056 4588850.0 252 10.52654 108.48585 5.10577 14385300.0 253 10.52738 108.48585 8.15131 1186270.0 254 10.5276 108.48585 4.98909 13101900.0 255 10.52597 108.48585 2.62145 1806040.0 256 10.52618 108.48585 2.23583 2464630.0 257 8.67637 117.62675 3.27094 5345830.0 258 8.67513 117.62473 2.60822 9754740.0 259 8.67464 117.61972 7.75562 14771700.0 260 8.67477 117.6146 5.61385 8836850.0 261 8.67664 117.61394 4.98541 18140600.0 262 8.67357 117.62323 10.52218 23863400.0 263 8.67574 117.61484 9.2641 3094680.0 264 8.6722 117.60701 9.6971 1455060.0 265 8.6766 117.60701 4.67749 4963960.0 266 7.74393 104.68763 4.94785 10345300.0 267 7.74337 104.72685 4.6576 10507400.0 268 7.74305 104.69875 3.86872 23770000.0 269 7.74229 104.67374 5.81919 2661080.0 270 7.74561 104.73788 5.60474 3629590.0 271 7.74352 104.70129 10.53007 1955470.0 272 7.74409 104.70129 3.26984 1518550.0 273 7.74569 104.70129 2.59814 1817590.0 274 7.74746 104.70129 0.46794 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8138390.0 375 7.84873 116.81823 2.75992 12497400.0 376 7.84774 116.8479 7.47666 22339800.0 377 7.84804 116.82709 5.27852 8616000.0 378 7.84749 116.83796 9.76637 1595380.0 379 9.76681 121.0223 4.54103 8632920.0 380 9.76579 120.98311 3.09887 6422290.0 381 9.76697 120.98311 2.75589 5599240.0 382 9.76803 121.01001 5.27886 22159000.0 383 9.76579 120.98311 3.23574 4983490.0 384 9.76624 120.98311 0.62723 1633770.0 385 9.76429 120.98311 0.86586 652982.0 386 9.76697 120.98311 2.85035 3635380.0 387 9.44952 121.45759 4.54813 28556600.0 388 9.44914 121.45541 4.16987 13695000.0 389 9.44772 121.45759 2.76226 6411180.0 390 9.45045 121.45759 7.38209 1545700.0 391 9.44956 121.45759 0.86102 995682.0 392 9.44751 121.45759 2.16379 1023940.0 393 9.44881 121.45759 0.79249 1319500.0 394 9.09425 107.28848 4.47888 25713800.0 395 9.09489 107.27307 3.9215 12429200.0 396 9.09407 107.28936 2.93902 8608230.0 397 9.0938 107.28454 2.76968 5526510.0 398 9.09531 107.28613 7.66598 11231500.0 399 9.09376 107.28454 9.44355 9338230.0 400 9.0916 107.28454 7.95459 1695370.0 401 9.09535 107.28454 3.23462 2732940.0 402 9.09144 107.28454 2.09486 1797670.0 403 9.09282 107.28454 0.47607 1452180.0 404 9.09218 107.28454 9.76949 767917.0 405 7.6568 122.60099 4.48268 7102620.0 406 7.65902 122.59603 2.84427 18236900.0 407 7.65542 122.60099 0.6446 3203470.0 408 7.65877 122.62499 7.9679 13632900.0 409 7.65799 122.60099 9.40811 1360390.0 410 7.65851 122.60099 9.76225 1955600.0 411 7.659 122.60099 3.90692 3547650.0 412 7.9747 114.89478 3.27796 16678700.0 413 7.97468 114.89489 2.83316 7147290.0 414 7.97539 114.89478 1.84753 21181000.0 415 7.975 114.91411 0.80056 5379230.0 416 7.97003 114.89478 4.44894 1363000.0 417 7.98177 114.89478 9.76638 1236000.0 418 8.31239 118.36914 3.90561 3350470.0 419 8.31444 118.34911 3.26617 4662660.0 420 8.31558 118.34935 1.83545 12078400.0 421 8.31476 118.34445 7.95892 12793700.0 422 8.31418 118.36873 7.68927 12571800.0 423 8.31785 118.34445 9.04684 1323500.0 424 8.31447 118.34445 4.19043 1430410.0 425 8.31526 118.34445 4.45022 1422400.0 426 8.31706 118.34445 -0.11595 1604890.0 427 8.31409 118.34445 0.86205 3843860.0 428 7.67763 118.86824 4.081 4185140.0 429 7.67859 118.87139 3.87422 11911200.0 430 7.67904 118.86974 3.10471 24062800.0 431 7.67746 118.86974 7.91716 13732600.0 432 7.67889 118.86974 2.70668 2602230.0 433 7.68022 118.86974 -0.0933 877622.0 434 7.67955 118.86974 3.23935 17460600.0 435 7.91642 117.45859 3.24382 7835090.0 436 7.91801 117.46729 4.36861 7204530.0 437 7.9148 117.46729 3.11351 4457450.0 438 6.88953 114.78873 2.33948 4633400.0 439 6.88737 114.79854 1.10057 16314900.0 440 6.88785 114.79931 7.91423 9042550.0 441 6.88973 114.79612 7.69712 1884210.0 442 6.88853 114.79612 4.37665 2417650.0 443 6.88623 114.79612 3.27072 1861260.0 444 6.89029 114.79612 0.46824 1518650.0 445 6.88837 114.79612 3.86993 1009180.0 446 6.89014 114.79612 3.52035 724112.0 447 6.8898 114.79612 7.42643 945901.0 448 6.88741 114.79612 8.84309 1153360.0 449 8.46131 119.91262 3.86788 4544550.0 450 8.46121 119.91105 1.79366 24660000.0 451 8.46004 119.89747 1.38958 5972410.0 452 8.46329 119.89541 -0.09912 3070690.0 453 8.4614 119.91708 -1.23142 3508860.0 454 8.46219 119.87668 -2.29884 3243080.0 455 8.46066 119.89411 6.89239 13496300.0 456 8.46209 119.90594 8.91894 9092990.0 457 8.46145 119.89747 4.3601 1526190.0 458 8.46083 119.89747 3.19091 2102430.0 459 8.46228 119.89747 2.31393 1759240.0 460 8.4595 119.89747 2.69591 1562880.0 461 8.93395 117.31043 4.64747 5222240.0 462 8.9343 117.31032 2.05966 18610500.0 463 8.93448 117.30735 1.77969 12861800.0 464 8.93402 117.345 0.92565 3691910.0 465 8.93256 117.29864 6.91111 1949330.0 466 8.93557 117.29864 4.3761 1600500.0 467 8.93672 117.29864 3.86337 2326040.0 468 8.93403 117.29864 3.52094 2491600.0 469 8.93317 117.29864 1.44873 7374790.0 470 8.92786 117.29864 5.99852 647281.0 471 8.83563 109.10785 2.05451 5770290.0 472 8.83527 109.10499 1.41117 3538220.0 473 8.83575 109.1173 7.41661 11366000.0 474 8.83218 109.10499 4.65821 2067190.0 475 8.83407 109.10499 5.97347 1023250.0 476 8.83913 109.10499 1.78408 1563630.0 477 8.83889 109.10499 0.90024 856945.0 478 10.95247 116.6984 4.5075 4043530.0 479 10.95326 116.68487 7.41987 5532910.0 480 10.95126 116.68688 8.8658 2829370.0 481 10.95283 116.68688 1.32217 2243880.0 482 10.95103 116.68688 0.78726 1940750.0 483 10.95289 116.68688 6.01768 794456.0 484 7.91757 120.03859 4.23852 4202400.0 485 7.91288 120.06045 3.3319 4067420.0 486 7.91285 120.01979 10.95576 2648400.0 487 7.91002 120.01979 0.18941 1744460.0 488 9.3308 103.36916 3.16617 4506320.0 489 9.32901 103.37278 7.36488 1231700.0 490 9.35218 120.04487 4.72825 4135850.0 491 9.35276 120.05191 4.25941 11723500.0 492 9.35368 120.05551 2.76801 5650230.0 493 9.35312 120.04596 3.82186 1599440.0 494 9.35442 120.04596 -1.23912 2573950.0 495 9.34785 120.04596 -0.16987 828970.0 496 9.35494 120.04596 8.82381 706379.0 497 9.52501 110.31224 4.74078 5573690.0 498 9.52131 110.29376 4.24753 3787710.0 499 9.52395 110.33251 3.94354 29907200.0 500 9.52463 110.33013 0.1234 3124140.0 501 9.52356 110.32957 9.35775 24293400.0 502 9.52262 110.33569 8.37875 6964260.0 503 9.52202 110.33681 5.96458 3856780.0 504 9.52744 110.33251 -1.2451 922618.0 505 9.52218 110.33251 1.91404 3744890.0 506 9.52395 110.33251 7.52856 1435470.0 507 9.52478 110.33251 3.83054 20194600.0 508 8.37591 116.08799 4.78756 17148100.0 509 8.37466 116.08681 3.84385 4922670.0 510 8.3768 116.08681 2.75969 13090500.0 511 8.37352 116.10085 1.39834 3220690.0 512 8.37764 116.08681 3.49227 1070630.0 513 8.37761 116.08681 4.44489 2334880.0 514 7.55023 121.96734 4.78885 11012500.0 515 7.54974 121.94229 4.45684 11008500.0 516 7.54998 121.94745 8.36443 20977200.0 517 7.54747 121.93922 3.84347 2523300.0 518 7.54786 121.93922 3.94832 2148910.0 519 7.54978 121.93922 7.73079 32142200.0 520 7.72215 117.85933 4.7462 3436270.0 521 7.72703 117.84688 4.52638 12727300.0 522 7.72977 117.86916 2.74966 5017320.0 523 7.7224 117.84647 0.29552 4579380.0 524 7.72859 117.8527 -0.18328 4883020.0 525 7.72781 117.8629 8.36555 3693650.0 526 7.72907 117.8629 9.50104 1242630.0 527 7.72475 117.8629 0.09915 1812760.0 528 7.72749 117.8629 1.91892 1546090.0 529 7.72905 117.8629 1.27163 21806000.0 530 8.6671 120.97319 4.53319 43493000.0 531 8.66689 120.96657 3.05863 14499500.0 532 8.66634 120.97319 2.72856 15348500.0 533 8.66571 120.96974 2.2031 7396830.0 534 8.66552 120.97319 1.38914 18757100.0 535 8.66529 120.97052 0.30927 7618210.0 536 8.66599 120.95903 7.19254 3803530.0 537 8.66638 120.96424 7.74032 2803540.0 538 8.66783 120.97319 3.88744 1799670.0 539 8.66758 120.97319 -0.1942 2498990.0 540 8.66259 120.97319 6.99523 1290550.0 541 8.33906 120.13241 4.60705 25823200.0 542 8.33762 120.13278 3.65133 14053100.0 543 8.33838 120.1405 2.72694 10376500.0 544 8.33791 120.13241 2.05484 24059300.0 545 8.3378 120.13241 7.20057 1356670.0 546 8.33734 120.13241 2.59954 8130420.0 547 8.33906 120.13241 1.11126 763679.0 548 8.40873 118.0544 2.59721 3885440.0 549 8.41225 118.04228 4.61412 1954130.0 550 8.41138 118.04228 2.74858 2570340.0 551 8.41208 118.04228 7.42485 1772020.0 552 7.19299 116.12351 3.88247 15586900.0 553 7.19294 116.13579 3.06037 19449800.0 554 7.19271 116.13251 2.19356 10146200.0 555 7.19191 116.12373 8.40351 19820800.0 556 7.19141 116.13354 2.72925 4658960.0 557 7.19222 116.13354 1.12129 1886820.0 558 7.19477 116.13354 -0.18983 1344060.0 559 7.19414 116.13354 0.30939 1464390.0 560 7.19374 116.13354 1.80243 9007700.0 561 7.19072 116.13354 7.00969 17068500.0 562 6.99697 116.92743 3.06446 10046200.0 563 6.99821 116.90663 2.81062 8812820.0 564 6.99874 116.91981 2.20885 5624450.0 565 6.99796 116.92049 1.38839 26041700.0 566 6.99847 116.9157 1.1373 14410800.0 567 6.9969 116.91437 0.31506 8905630.0 568 6.99834 116.92962 -0.13246 5546170.0 569 6.99517 116.91989 -0.53545 1156050.0 570 7.42271 119.74335 4.37141 8291200.0 571 7.42118 119.75565 3.4168 6481770.0 572 7.42261 119.75157 1.39136 18381200.0 573 7.42235 119.73701 -0.11834 5755050.0 574 7.42267 119.75734 7.01836 13933700.0 575 7.42413 119.75734 3.63762 1891250.0 576 7.42374 119.75734 1.92424 1955440.0 577 7.42279 119.75734 1.14418 2491250.0 578 7.42254 119.75734 0.79953 1402990.0 579 7.42119 119.75734 0.40977 2253440.0 580 7.4229 119.75734 0.13304 1848090.0 581 7.42475 119.75734 10.45994 923112.0 582 7.42119 119.75734 0.31646 1977000.0 583 10.46575 128.33272 3.23714 2987240.0 584 10.46415 128.29403 2.9298 1390240.0 585 10.46957 128.29403 3.63106 1341200.0 586 10.4643 128.29403 1.92264 4146500.0 587 10.46688 128.29403 2.3659 6454670.0 588 8.73277 120.48997 4.35419 3652840.0 589 8.73489 120.4813 4.14366 11226500.0 590 8.7354 120.49345 3.42868 5174230.0 591 8.73684 120.50241 1.55309 3037720.0 592 8.7353 120.48419 7.85999 3344000.0 593 8.73394 120.50241 7.41357 16273400.0 594 8.73553 120.50241 7.57679 13090500.0 595 8.73193 120.50241 0.39007 1345360.0 596 8.73888 120.50241 -0.52433 978467.0 597 7.57413 120.66638 4.14941 3123360.0 598 7.57169 120.63885 3.41316 10281100.0 599 7.57178 120.66705 2.80794 7184200.0 600 7.57188 120.64841 1.5404 22505800.0 601 7.5727 120.64012 -0.26915 11318000.0 602 7.57278 120.68988 -0.56219 6885200.0 603 7.57162 120.65112 7.84773 13659400.0 604 7.57178 120.66481 3.85843 2346540.0 605 7.56969 120.66481 3.09992 1959300.0 606 7.5761 120.66481 0.37389 2580860.0 607 7.84979 121.12811 4.36956 6117280.0 608 7.84994 121.11532 3.40282 3253430.0 609 7.84999 121.11532 2.9154 10267700.0 610 7.85005 121.12226 2.30282 19361300.0 611 7.85053 121.11309 1.53446 7881010.0 612 7.85209 121.11712 0.84368 5712570.0 613 7.85025 121.11225 0.39899 22756200.0 614 7.85014 121.10936 -0.26462 5346300.0 615 7.84471 121.11712 -0.53547 2590570.0 616 7.84975 121.11712 4.15154 1577420.0 617 8.64302 119.47884 4.20737 14102000.0 618 8.64228 119.47609 2.99349 16591400.0 619 8.64151 119.50007 0.86788 6970910.0 620 8.64083 119.43283 0.41542 4025820.0 621 8.64306 119.48784 7.84123 13297700.0 622 8.64267 119.48871 7.55404 2277680.0 623 8.64406 119.48871 6.62725 1474010.0 624 8.64137 119.48871 6.06349 1319060.0 625 8.64367 119.48871 3.39802 1928060.0 626 6.6458 110.25107 2.2045 4487310.0 627 6.64697 110.25339 8.2627 22672600.0 628 6.64862 110.2466 6.07032 1297700.0 629 6.64507 110.2466 4.5643 2589500.0 630 6.64822 110.2466 4.11981 2546440.0 631 6.64664 110.2466 3.01367 2943030.0 632 8.26392 110.24534 4.12516 3534990.0 633 8.26541 110.27095 3.01252 3575960.0 634 8.26737 110.25107 2.20336 4752030.0 635 8.26259 110.25107 4.58145 2839990.0 636 8.26792 110.25107 7.94253 953740.0 637 8.56554 122.16929 4.19434 4545560.0 638 8.56289 122.15674 3.98384 12311200.0 639 8.5639 122.16218 2.25237 5471840.0 640 8.56593 122.17437 0.68177 4539800.0 641 8.56382 122.16929 7.87327 2552650.0 642 8.5665 122.16929 1.49429 1424700.0 643 8.56027 122.16929 1.78048 1572310.0 644 8.56486 122.16929 3.38976 6015800.0 645 8.4175 118.89147 3.97248 3581400.0 646 8.41786 118.84735 1.48779 8015410.0 647 8.421 118.83875 7.83895 2339490.0 648 8.41677 118.83875 4.24266 1253880.0 649 8.48986 117.29473 1.50069 5566660.0 650 8.49271 117.30962 0.87557 2517680.0 651 8.48984 117.30962 2.13551 7634870.0 652 7.76484 119.27966 4.23905 14219200.0 653 7.76302 119.24428 3.99838 5404980.0 654 7.76539 119.27622 3.71845 3194980.0 655 7.76414 119.28143 2.55507 34842800.0 656 7.76508 119.29966 1.93255 7705200.0 657 7.76688 119.28327 1.76746 9995010.0 658 7.76644 119.29224 0.68225 4401740.0 659 7.76595 119.28006 8.48788 14029400.0 660 7.76879 119.28865 8.24646 2935110.0 661 7.89407 115.99982 4.25291 3580040.0 662 7.88663 115.97659 3.99615 10164600.0 663 7.88599 115.96805 3.27988 3080690.0 664 7.88853 116.02066 1.46592 14658800.0 665 7.88954 116.02066 0.85872 13894900.0 666 7.88829 116.02066 8.22949 14483300.0 667 7.88903 116.02066 1.61614 9725230.0 668 6.85976 111.17792 7.44058 127941000.0 669 8.14919 108.03161 4.28968 6878820.0 670 8.15016 108.02585 7.91516 13957000.0 671 7.91275 123.41923 4.35469 8983650.0 672 7.91337 123.42339 1.51894 17838000.0 673 7.99599 121.67008 1.48253 18689800.0 674 8.0052 120.06512 4.3307 15591100.0 675 8.00696 120.09148 1.50189 5906570.0 676 8.07675 123.65035 1.46097 4557470.0 677 8.07918 123.65035 4.34377 5494780.0 678 6.94459 112.75272 7.63773 20615200.0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . aliased 6.891 ppm . . . 4.764 . . 36771 1 2 . . N 15 HN 1 aliased 28.009 ppm . . . 116.556 . . 36771 1 3 . . H 1 HN . aliased 14.999 ppm . . . 4.764 . . 36771 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 36771 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Chemical_shift_list assigned_chemical_shifts_1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format unknown _Spectral_peak_list.Text_data ; Number Position F1 Position F2 Position F3 Volume 1 3.32279 29.71707 3.02474 9331900.0 2 3.31408 29.76458 0.93475 1773410.0 3 3.31707 29.73354 4.5476 1422090.0 4 4.23175 59.68636 2.57013 4624250.0 5 1.78857 34.08479 0.91058 4762330.0 6 1.78055 34.09681 4.23336 1348500.0 7 0.62169 20.43964 3.80312 2502790.0 8 0.62004 20.39693 2.59177 2774820.0 9 0.61977 20.40571 1.77767 10744900.0 10 0.6193 20.35455 0.94473 11242600.0 11 0.6197 20.35455 4.2307 4710040.0 12 0.61899 20.38536 1.42088 2886120.0 13 2.54358 32.69252 1.72031 11781300.0 14 2.54551 32.72692 4.40688 3486300.0 15 3.79477 51.23662 2.57323 10339600.0 16 3.83866 60.2646 0.81985 5867280.0 17 4.08762 54.76629 1.39356 16655100.0 18 4.2837 56.85646 1.83915 3702720.0 19 4.27762 56.91912 7.28272 1597530.0 20 1.57915 28.40725 1.81821 5422310.0 21 3.22803 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408 2.20176 41.92844 3.06828 7891170.0 409 2.81047 64.61761 1.5342 3085890.0 410 2.81436 64.63341 1.13019 1732700.0 411 2.80913 64.6547 0.29548 2689430.0 412 2.81219 64.60882 -0.13656 4286250.0 413 2.80731 64.61761 -1.20435 1077350.0 414 1.39999 35.59592 2.83585 930484.0 415 0.12595 11.13239 3.84521 3265480.0 416 0.12482 11.04822 3.52111 4085700.0 417 0.12562 11.03874 1.1407 7457850.0 418 0.12594 11.04822 3.13695 1255610.0 419 0.12731 11.04822 8.46448 862176.0 420 0.31768 28.69942 -0.14373 2037140.0 421 1.12457 28.64788 0.31239 7035310.0 422 1.1187 28.69743 -0.13796 1707190.0 423 -0.1179 17.19587 -2.26365 1382220.0 424 -0.11866 17.19783 1.3936 9293340.0 425 -0.11886 17.1527 0.44923 9062840.0 426 -0.11791 17.16422 3.1336 779270.0 427 2.94467 29.55715 1.37002 2752540.0 428 2.93997 29.5513 3.43284 6234510.0 429 3.43402 29.55741 4.38237 2271220.0 430 3.41266 58.39824 1.53383 2305490.0 431 3.41062 58.37512 -0.24461 3455480.0 432 -0.27528 42.27783 -0.53647 1859850.0 433 -0.27676 42.19777 1.53338 7568730.0 434 0.01655 24.04766 3.41057 8159200.0 435 0.01761 23.99022 2.08494 4623940.0 436 -0.55757 26.55705 1.55008 3649270.0 437 -0.56049 26.55705 3.40413 1053960.0 438 2.90704 67.74448 1.49195 1296080.0 439 2.91353 67.70079 2.30884 1257700.0 440 2.29886 30.95556 0.86521 3163370.0 441 2.29481 30.95698 0.39727 3382940.0 442 4.22211 55.76587 1.80061 2537400.0 443 4.22083 55.79059 2.25998 4265040.0 444 3.01262 36.42291 2.23619 6554220.0 445 3.0114 36.49134 4.19557 2398890.0 446 3.9902 62.07298 2.55796 2226040.0 447 3.99041 62.00565 0.65776 4800540.0 448 3.2853 60.35999 2.13159 2196840.0 449 3.28206 60.34324 0.81773 5089860.0 450 3.27839 60.30278 8.42096 1780660.0 451 1.48478 34.29938 3.28323 1987670.0 452 1.47844 34.27689 2.12712 8149960.0 453 3.71465 58.72326 3.16354 4092390.0 454 3.71727 58.72211 8.4856 2553820.0 455 3.10126 42.30896 3.71375 1801680.0 456 2.52456 44.09035 4.24516 3510010.0 457 1.46725 30.18073 0.84774 4319380.0 458 1.4733 30.22538 3.99725 1573660.0 459 1.62314 30.29089 0.85597 3958440.0 460 1.61683 30.26792 3.9788 2234900.0 461 2.91916 41.84589 0.85432 3891860.0 462 2.92097 41.86704 3.97598 3569680.0 463 2.91866 41.84589 0.94571 2241710.0 464 2.9832 41.84589 0.85369 4128480.0 465 2.98243 41.84589 3.97777 3571960.0 466 2.98395 41.84589 0.94697 2596610.0 467 4.40397 54.30912 8.2469 1802060.0 468 1.62763 18.89818 4.4125 13016300.0 469 1.6265 18.89818 3.31408 1051890.0 470 1.52517 19.34544 4.35671 9074230.0 471 1.47447 19.26432 4.35671 10106100.0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . aliased 11.276 ppm . . . 4.764 . . 36771 2 2 . . C 13 C-aliphatic 1 aliased 40.005 ppm . . . 27.250 . . 36771 2 3 . . H 1 C-aliphatic . aliased 14.999 ppm . . . 4.764 . . 36771 2 stop_ save_