######################### # Spectral peak lists # ######################### save_15N_noesy_spectral_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 15N_noesy_spectral_peak_list _Spectral_peak_list.Entry_ID 11017 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $CN_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 121.583 1.969 8.460 1383418 115.388 1.262 7.361 1341689 115.468 2.623 7.367 538288 119.264 2.687 8.015 725752 121.022 7.678 8.395 887001 121.070 8.046 8.394 1528780 108.625 7.599 8.363 635254 108.609 8.741 8.365 578795 124.576 8.038 8.330 902175 119.230 4.408 8.102 521881 119.165 8.527 8.083 735558 120.789 2.100 8.063 374533 121.300 7.669 8.019 646817 120.932 4.799 8.580 2667878 122.081 1.774 8.342 1681536 120.091 4.797 8.526 9223131 120.902 2.924 8.407 2082594 121.865 1.763 8.260 572673 125.894 4.795 8.112 4812575 115.719 7.751 8.069 -485675 120.628 1.254 7.047 819535 113.621 8.260 7.163 405019 113.775 1.675 7.171 363007 120.509 7.433 7.736 598129 119.300 6.922 8.003 715460 117.396 0.834 8.209 572256 121.355 0.848 8.812 547053 119.175 6.871 8.006 673536 122.344 0.769 8.491 515011 111.545 1.277 8.560 681479 113.341 0.945 7.214 625602 121.091 2.713 8.402 4489160 121.744 1.817 7.990 1029966 121.210 0.886 8.039 652610 120.010 1.863 8.514 445955 111.535 3.643 8.559 425558 116.041 7.745 8.691 328091 124.133 1.869 8.489 2888100 119.897 4.329 8.542 467966 119.897 4.765 8.542 1925777 119.897 2.868 8.544 456256 113.093 2.783 7.637 780289 113.142 7.643 6.956 21592496 113.126 6.946 7.639 29869776 114.903 4.260 8.133 746418 114.864 8.138 8.137 10634744 123.551 1.608 8.163 1995066 123.582 4.282 8.165 3460059 121.550 4.270 8.462 2589962 121.583 1.777 8.461 423563 121.583 1.860 8.461 577729 121.443 2.772 8.518 815876 121.487 7.503 8.516 765168 121.513 4.617 8.517 1943125 121.450 4.033 8.518 3564992 121.496 4.385 8.517 1432358 121.547 2.251 8.516 1720942 121.443 1.158 8.515 1598161 116.674 4.396 8.610 1424845 116.660 2.043 8.606 3097249 116.638 7.514 8.607 2767515 116.739 3.922 8.605 2374034 116.640 1.911 8.608 3576413 116.664 2.302 8.607 1702411 116.624 3.990 8.602 2929255 122.664 8.601 7.514 2624822 122.718 3.972 7.508 948979 122.700 1.922 7.507 1188049 122.659 2.054 7.515 1721679 122.675 7.514 7.513 53716088 122.695 3.605 7.513 2581128 122.698 2.242 7.514 6325394 122.688 1.169 7.512 4305480 122.684 7.786 7.514 3798596 122.644 8.057 7.506 469505 118.671 3.925 7.783 935801 118.751 7.513 7.791 3973634 118.719 3.614 7.796 681508 118.850 2.234 7.798 2239329 118.702 1.118 7.792 972599 118.759 7.789 7.793 44072380 118.783 3.429 7.791 1953186 118.786 1.188 7.793 3637892 118.840 1.844 7.790 428803 118.840 1.844 7.790 428803 118.802 10.505 7.794 1252219 118.749 8.055 7.792 2354814 118.805 2.043 7.795 757375 118.757 0.820 7.796 4587819 117.689 1.815 6.504 945868 117.696 2.171 6.508 437345 117.618 6.501 6.505 12124292 117.467 0.800 6.502 719674 116.155 3.979 8.054 1051685 116.224 3.436 8.048 534056 116.165 0.822 8.051 1651361 116.210 1.192 8.054 1957596 116.155 3.860 8.053 3462316 116.134 2.353 8.052 1610924 116.161 2.048 8.052 7544830 116.210 8.505 8.055 1010599 116.124 8.052 8.053 75207312 116.158 7.768 8.053 5799530 111.378 7.399 6.842 20123092 111.373 6.844 7.402 24470580 111.442 2.315 6.839 641436 111.301 2.452 7.402 488027 111.482 2.448 6.849 511967 111.360 2.072 7.401 400574 120.437 3.604 7.753 1160048 120.431 8.056 7.754 3324383 120.416 3.870 7.751 1112053 120.398 2.342 7.753 719064 120.398 2.448 7.753 785383 120.398 2.053 7.757 5367074 120.391 7.752 7.753 68780240 120.412 1.733 7.752 2187430 120.425 1.948 7.752 9777824 120.469 3.201 7.756 647673 120.416 8.497 7.752 4424679 120.420 3.962 7.751 3335287 122.331 3.579 8.492 644244 122.340 1.137 8.492 688249 122.331 3.440 8.495 843900 122.362 8.066 8.498 757391 122.362 7.752 8.495 4328462 122.331 3.965 8.494 1193725 122.404 1.943 8.495 4118159 122.381 3.240 8.477 537203 122.359 4.035 8.493 3181050 122.380 1.720 8.494 7904944 122.391 8.225 8.492 3189041 122.469 0.673 8.483 571370 122.419 1.023 8.493 540068 116.467 3.849 8.228 1052634 116.524 8.495 8.226 3202138 116.564 4.043 8.233 692395 116.507 1.721 8.230 3118394 116.544 8.227 8.228 61409860 116.527 3.362 8.230 2262773 116.530 1.970 8.231 5728586 116.492 0.628 8.231 1122755 116.550 1.063 8.227 5052406 116.549 7.904 8.227 3083864 118.899 3.973 7.893 1161093 118.918 3.357 7.891 587647 118.962 1.975 7.898 4765927 119.030 0.608 7.894 1015253 119.031 1.046 7.898 937268 118.980 1.921 7.899 7378386 118.962 1.549 7.898 659743 118.968 1.733 7.900 2027371 118.950 0.768 7.905 422359 119.000 8.222 7.899 5434071 118.982 3.836 7.896 3092712 117.335 3.959 8.210 469859 117.327 7.901 8.207 3237238 117.252 3.846 8.206 882039 117.259 1.894 8.209 2301574 117.259 1.942 8.210 2029271 117.203 1.725 8.213 643663 117.319 8.207 8.207 51360344 117.329 2.083 8.207 2319704 117.285 2.345 8.212 4141226 117.335 2.480 8.212 1531107 117.315 2.807 8.212 3694813 117.286 7.793 8.213 2976152 117.396 0.920 8.210 592308 117.307 4.074 8.211 3436988 119.925 8.214 7.786 4301080 119.962 0.914 7.784 5628148 119.925 8.287 7.786 3933376 119.936 0.674 7.779 960409 119.917 4.082 7.778 2232214 119.967 2.382 7.781 7682465 119.944 3.374 7.780 3223036 118.455 3.838 8.286 1412058 118.453 7.783 8.285 3262955 118.431 2.398 8.284 4036353 118.427 8.281 8.284 50635256 118.453 4.056 8.283 2178694 118.431 1.550 8.290 1645184 118.435 8.694 8.285 2085612 118.445 3.374 8.284 858827 118.470 0.850 8.283 2583150 118.422 1.865 8.284 9781772 115.961 8.281 8.691 2609781 115.913 1.542 8.690 1115649 115.936 1.864 8.691 2389820 115.970 8.689 8.691 50358772 116.002 4.238 8.696 2257988 115.961 2.350 8.689 830636 115.957 2.492 8.690 1996599 115.967 2.086 8.693 4836982 115.960 7.588 8.694 2517386 115.958 4.077 8.692 1714729 113.135 3.355 7.584 594212 113.040 4.233 7.587 1276400 113.015 2.353 7.587 695054 113.061 2.083 7.584 2124162 113.062 3.928 7.583 3288555 113.101 7.762 7.583 5980727 113.163 1.090 7.588 435428 113.190 0.692 7.584 582792 113.077 8.691 7.580 3950573 113.051 4.103 7.587 2436954 119.858 7.597 7.783 5096432 119.880 3.911 7.780 969862 119.880 2.188 7.778 4391538 119.915 7.438 7.771 1125901 119.890 2.565 7.776 3589177 119.901 1.100 7.778 2220991 119.892 4.799 7.778 5120176 119.925 8.680 7.774 2022250 110.281 4.058 7.445 518027 110.351 0.868 7.458 961947 110.349 0.839 6.932 834584 110.363 7.455 6.930 19648108 110.360 6.931 7.456 22541816 110.384 2.378 7.456 776539 110.363 2.560 7.454 1167930 108.493 7.753 8.684 1244973 108.465 4.801 8.683 4231015 108.435 2.182 8.687 894908 108.405 2.383 8.684 603524 108.536 2.570 8.686 760718 108.451 3.857 8.684 4762375 108.414 8.108 8.684 2136680 108.470 4.104 8.682 2731702 118.283 8.681 8.107 2507444 118.255 3.851 8.105 2049186 118.229 4.111 8.108 2517206 118.237 8.106 8.107 67683528 118.229 4.208 8.108 2326950 118.240 2.169 8.106 3294564 118.237 1.914 8.107 5202066 118.244 7.694 8.106 4338599 117.725 4.121 7.691 896450 117.807 4.790 7.694 1826398 117.753 8.107 7.694 3611833 117.815 4.202 7.698 1257326 117.765 1.923 7.695 897168 117.783 4.678 7.692 1722415 117.748 2.980 7.697 2985229 117.725 3.097 7.697 1397073 117.726 7.209 7.696 1229968 117.892 8.844 7.693 481402 117.495 7.702 8.855 611901 117.497 4.678 8.850 3143275 117.474 2.995 8.856 1512738 117.483 3.099 8.852 2982246 117.488 8.852 8.853 40282044 117.474 4.518 8.854 1802052 117.461 2.743 8.851 3636429 117.456 7.551 8.852 1879282 117.481 1.583 8.851 930566 108.972 2.995 7.546 1263740 108.919 3.096 7.551 2069333 109.084 7.169 7.557 583709 108.981 8.850 7.551 1560170 109.030 4.527 7.546 1348596 108.996 2.738 7.546 1066609 108.984 7.551 7.551 50774352 108.932 4.759 7.547 2598426 109.008 4.173 7.548 1265821 109.048 8.327 7.556 664961 108.995 1.584 7.550 3226148 113.255 0.874 7.971 1087213 113.208 7.973 7.220 12023652 113.200 7.215 7.971 13101216 113.069 2.078 7.971 805477 113.216 2.345 7.973 1863042 113.247 2.335 7.225 1086197 113.182 0.945 7.227 776561 113.182 0.840 7.226 533613 121.472 4.152 9.002 428191 121.408 4.307 9.006 740158 121.439 2.044 9.013 398617 121.452 2.237 9.008 1362178 121.399 3.085 9.009 1529218 121.405 3.506 9.008 2083699 121.462 8.350 9.009 858150 129.190 7.306 10.049 1828233 121.586 9.009 8.358 1604255 121.632 3.091 8.357 1384202 121.659 3.519 8.358 725876 121.631 3.780 8.351 1639309 121.638 1.586 8.356 4757022 121.659 7.431 8.356 2187566 121.824 1.931 8.393 1091530 115.734 2.995 7.432 571962 115.734 3.095 7.426 638045 115.709 4.138 7.427 3068296 115.763 3.940 7.426 819925 115.787 2.212 7.421 506252 115.747 8.370 7.425 1924114 115.722 3.789 7.426 882562 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8.548 2546610 119.089 2.216 8.549 2972553 119.076 2.364 8.545 3777674 119.083 2.641 8.545 1393587 119.081 8.007 8.551 3079172 113.317 7.736 6.874 20907844 113.322 6.872 7.734 19887496 113.275 2.465 7.737 636705 113.315 2.481 6.871 373875 113.251 2.646 7.737 1121430 113.240 2.616 6.879 382858 119.285 0.619 8.008 546322 119.268 1.083 8.005 782193 119.329 3.674 8.003 1270552 119.270 4.411 8.003 2777956 119.280 3.229 8.005 4349430 119.277 3.514 8.006 4488636 119.158 4.044 7.994 2114661 119.210 8.451 7.996 5453139 119.840 3.678 8.446 549503 119.775 4.254 8.444 817790 119.827 4.406 8.445 843712 119.820 3.259 8.444 633705 119.758 3.521 8.449 2114298 119.760 3.942 8.450 2191826 119.840 2.028 8.449 1396693 119.728 2.577 8.446 3180962 119.803 7.999 8.447 4673810 119.748 2.294 8.450 4277305 119.158 3.947 7.994 1809061 119.221 2.315 7.992 3108790 119.141 4.158 7.993 3073400 119.424 1.647 7.991 819212 119.174 1.950 7.991 7878794 119.145 8.292 7.991 3453257 120.014 4.050 8.294 379396 120.094 4.416 8.291 589518 120.014 7.962 8.292 3377968 120.030 1.961 8.297 2479715 120.040 4.567 8.294 2982860 120.015 2.732 8.294 5749303 120.014 7.881 8.294 2406165 111.335 3.959 7.890 625265 111.376 8.288 7.888 2583496 111.397 4.554 7.890 1945286 111.316 2.731 7.895 1790892 111.371 7.890 7.892 73567864 111.373 4.294 7.893 2924127 111.364 1.056 7.890 2121635 111.393 8.057 7.888 3422555 110.645 4.539 8.075 417761 110.608 7.910 8.086 3504838 110.643 4.328 8.083 1863607 110.642 1.055 8.077 536648 110.620 8.084 8.084 76399824 110.626 4.011 8.083 8696826 108.733 8.266 8.267 129580752 108.726 3.982 8.264 9530016 120.496 3.976 8.325 5035030 120.459 4.625 8.326 1686014 120.453 2.641 8.325 2551158 120.453 2.708 8.325 1665916 121.108 3.962 8.407 496063 121.103 4.627 8.403 6669560 121.091 2.713 8.402 4489160 109.446 4.608 8.499 2138058 109.427 2.747 8.496 865488 109.445 8.495 8.495 160728448 109.428 3.946 8.498 7570415 108.699 8.359 8.359 156413248 108.714 8.002 8.358 1945565 108.685 3.952 8.362 9463863 121.334 3.951 8.023 4251393 121.377 4.444 8.021 1237722 121.132 8.371 8.043 2047900 121.272 8.030 8.030 105545456 121.401 0.890 8.017 602327 121.418 1.663 8.011 4623396 114.187 8.060 8.457 841946 114.364 1.601 8.460 885460 114.358 8.459 8.460 70546544 114.406 1.242 8.453 1360145 114.313 2.086 8.465 1358578 114.314 2.304 8.472 442373 114.329 4.449 8.459 6092506 116.577 1.285 8.359 668323 116.531 4.207 8.357 1258133 116.569 4.444 8.357 3962798 124.550 1.401 8.339 2947404 124.577 4.205 8.339 2922864 119.030 1.406 8.101 1396793 119.072 4.169 8.092 2215231 119.071 2.076 8.094 3033988 119.106 2.273 8.098 1366676 119.152 8.284 8.088 2252359 120.500 8.110 8.280 1548158 120.472 1.691 8.285 1750656 120.507 1.852 8.283 3518876 120.406 4.129 8.288 3995138 119.506 4.154 8.190 3244182 119.530 1.885 8.194 1255792 119.610 8.198 8.198 83097488 119.574 2.077 8.195 2693139 119.566 2.427 8.201 896260 112.438 7.524 6.880 17609176 112.401 6.879 7.524 18246278 112.368 2.404 7.523 485966 120.700 2.077 8.006 721961 120.792 1.832 7.998 1515367 120.628 1.692 7.993 595233 120.797 4.206 8.003 2626032 121.744 1.817 7.990 1029966 121.556 4.256 7.981 2545668 121.164 1.759 8.044 2335930 121.096 4.280 8.045 4377324 123.846 8.013 8.351 688842 123.885 4.304 8.360 2081097 123.833 8.359 8.360 67474272 123.881 4.538 8.362 512230 123.849 1.872 8.363 776256 123.851 2.055 8.360 460802 120.832 4.396 8.584 2949498 120.889 8.583 8.583 67770672 120.838 4.233 8.579 904189 120.893 1.951 8.581 1667577 120.893 1.951 8.581 1667577 120.874 2.296 8.588 724097 121.999 2.020 8.337 664579 121.989 4.228 8.338 3485277 120.075 4.229 8.518 1846859 120.148 2.818 8.520 497464 120.010 1.863 8.514 445955 122.834 4.245 8.119 1448964 122.858 8.119 8.119 44455320 122.787 1.622 8.116 1204815 121.847 1.625 8.265 637856 121.840 4.314 8.261 1608243 125.914 4.460 8.114 548685 112.884 7.525 6.821 13624682 112.874 6.817 7.525 13484791 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 HN 1 2563 . . . 11017 1 2 H 1 H 2 8550 . . . 11017 1 3 H 1 HN 1 15009 . . . 11017 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_c13_noesy_aliph_spectra_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode c13_noesy_aliph_spectra_peak_list _Spectral_peak_list.Entry_ID 11017 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $CN_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliph' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 38.846 1.925 1.173 201309 42.364 8.198 1.575 200528 43.219 1.577 1.839 222952 49.239 1.856 0.776 367157 50.340 0.899 1.618 286005 51.124 1.181 1.848 174894 37.850 1.106 4.292 429048 37.194 6.720 3.986 140911 35.677 1.218 4.578 171051 33.874 2.804 2.467 126061 31.912 2.592 2.838 224455 31.748 1.284 2.828 128967 31.555 4.058 2.074 242543 30.993 1.372 1.620 641361 30.993 3.086 1.607 147332 31.042 4.329 1.641 853913 31.546 4.571 2.038 226012 45.315 1.209 4.254 788962 45.315 1.209 4.254 788962 31.647 7.425 2.853 128211 45.599 1.109 4.219 1152692 45.538 4.222 1.101 878908 32.430 8.045 4.276 139735 54.901 4.319 1.634 0 54.831 1.374 1.618 1029731 43.296 1.357 3.105 426359 43.333 1.614 3.114 400827 54.339 3.184 1.822 184248 35.080 8.240 3.952 84345 32.883 7.364 3.205 72444 35.038 0.946 4.264 88550 45.436 2.789 1.121 122188 45.302 6.974 0.621 98501 45.902 0.505 0.855 149427 45.495 7.739 1.006 104982 45.548 7.974 1.010 95089 30.993 4.315 1.769 241935 41.639 7.492 0.884 172452 40.362 0.598 4.100 83792 42.123 1.241 3.387 135602 54.469 3.988 1.975 106790 30.993 1.109 2.488 563280 54.466 6.964 3.503 96334 54.507 6.977 3.220 67775 31.706 1.322 0.704 100242 54.504 0.680 1.962 81546 50.268 8.602 3.894 101882 42.260 7.554 0.832 85951 42.156 8.233 0.828 100425 52.810 7.499 2.043 95342 52.806 7.500 1.929 79638 52.852 1.175 1.936 72059 53.719 7.210 1.909 69883 53.714 6.738 1.932 82999 33.278 0.818 3.852 133263 46.344 3.622 1.410 79382 45.489 4.244 0.961 78604 50.920 3.090 1.370 139804 50.773 3.090 1.307 206309 50.981 1.618 1.384 1942925 37.801 1.206 4.367 241687 37.752 8.480 4.360 109317 45.757 1.209 4.221 1242600 45.541 4.349 1.183 688876 45.783 4.222 1.215 2064222 32.181 1.390 4.291 273453 32.300 1.869 4.298 612554 32.162 1.802 4.299 880516 32.973 4.297 1.831 329197 32.988 1.446 1.835 618014 32.967 4.313 1.780 195112 33.004 1.448 1.780 630449 53.008 1.445 1.684 4173138 42.051 1.680 2.998 1951124 45.173 1.241 4.233 416136 45.288 4.229 1.228 615632 32.300 8.454 4.295 295127 32.259 1.617 4.289 978195 54.708 4.304 1.855 390427 54.532 3.197 1.809 213054 54.765 3.194 1.779 180640 54.579 3.189 1.876 245085 54.663 4.311 1.773 326900 43.374 1.800 3.217 1925073 43.300 1.641 3.202 2687156 51.037 4.300 1.623 274110 51.102 3.199 1.640 1120284 40.295 2.769 2.940 1447088 40.335 2.941 2.776 1708538 40.301 7.479 2.779 215629 40.382 7.480 2.935 275341 32.698 4.006 4.605 407697 32.777 4.383 4.610 210311 32.690 3.892 4.607 1088802 38.508 8.513 4.030 225683 38.600 8.514 4.388 77733 38.519 4.609 4.030 149104 38.557 4.576 4.392 173719 38.484 4.028 4.392 1415910 38.492 4.389 4.031 1146401 38.504 3.896 4.392 546143 38.528 1.166 4.027 133932 41.895 1.880 3.917 323811 41.900 2.320 3.922 560976 41.944 7.778 3.917 79100 41.947 0.811 3.923 202094 41.862 1.203 3.927 232496 31.578 2.313 1.888 1597818 31.537 3.933 1.891 406667 31.555 3.919 2.324 479548 50.185 4.609 3.891 308115 50.145 4.392 3.891 311069 50.187 1.982 3.893 392770 50.143 2.212 3.895 508379 50.180 3.891 3.892 6357008 51.976 1.991 2.206 1817052 51.958 3.901 1.996 465420 36.075 8.603 3.990 193552 35.950 1.959 3.986 467177 35.999 2.290 3.984 366830 36.000 7.514 3.969 82158 36.036 8.053 3.993 116737 35.949 2.055 3.984 823544 52.844 8.604 1.926 163715 52.781 8.617 2.056 172015 52.865 2.314 1.926 649058 52.714 3.984 2.059 205248 52.852 3.978 1.929 305153 36.585 1.939 2.353 425352 36.690 2.077 2.352 1143527 36.639 3.962 2.276 329825 42.374 7.509 3.608 257211 42.423 2.234 3.605 242606 42.367 1.944 3.604 468257 42.382 1.153 3.607 1155017 42.441 7.774 3.610 169929 31.521 8.515 2.243 76714 31.523 7.514 2.239 432651 31.574 3.608 2.240 148204 31.523 7.793 2.242 218685 31.560 1.146 2.240 830584 45.457 7.484 1.120 521601 45.400 3.606 1.128 267782 45.416 7.788 1.118 107349 45.623 1.725 1.121 126175 45.458 2.240 1.121 668763 47.383 8.534 1.180 54665 47.433 4.347 1.168 69454 47.514 1.936 1.173 99151 47.429 7.513 1.178 604610 47.458 3.609 1.179 765074 47.430 2.245 1.178 838084 47.380 7.791 1.173 90690 35.358 7.796 3.447 159660 35.388 1.204 3.449 171095 35.386 -0.919 3.445 195708 35.296 1.718 3.447 320707 35.382 7.322 3.445 119202 35.362 0.827 3.442 310354 35.311 6.473 3.450 119187 53.640 3.909 1.214 60654 53.734 7.787 1.220 159057 53.596 3.429 0.827 185978 53.709 3.443 1.212 103858 53.655 1.208 0.832 971638 53.703 -0.913 0.830 285163 53.729 -0.900 1.218 135225 53.704 8.052 1.216 107553 53.668 0.827 1.214 995528 43.217 1.234 1.829 114320 43.202 1.822 2.164 1452293 43.203 2.161 1.825 1384145 43.259 -0.913 1.817 158966 43.165 -0.918 2.156 184983 43.258 0.833 1.822 292992 43.162 0.828 2.165 261048 49.840 7.810 0.834 112845 49.766 3.478 -0.906 102323 49.773 1.216 0.830 298400 49.626 1.215 -0.926 93867 49.727 1.799 -0.907 104754 49.846 2.172 -0.897 78162 49.732 -0.915 0.828 602694 49.740 -0.914 -0.910 1390170 49.371 6.961 0.776 109979 49.742 0.825 -0.910 785919 34.601 8.057 3.856 324465 34.613 2.428 3.843 173450 34.631 2.035 3.854 790437 34.725 8.239 3.854 149359 34.631 1.972 3.853 601269 34.652 1.055 3.855 136287 34.710 7.894 3.844 101100 52.221 3.985 2.039 171556 52.270 8.053 2.046 426295 52.221 3.852 2.039 358948 52.241 7.755 2.055 223003 33.990 8.050 2.366 116491 33.961 8.051 2.463 156583 33.898 2.073 2.448 909250 35.190 7.752 3.968 352847 35.156 1.713 3.965 344438 35.212 3.185 3.964 184758 35.190 7.908 3.964 57434 35.264 8.230 3.970 60524 35.146 1.930 3.963 1217048 54.054 7.752 1.939 556386 54.060 3.967 1.937 498046 53.996 8.498 1.936 301855 53.975 3.611 1.944 307830 54.070 3.215 1.943 496165 43.300 1.706 3.183 1189564 43.461 1.929 3.219 1331802 51.473 3.965 1.582 106936 51.506 3.970 1.724 142535 51.518 1.928 1.593 845748 51.494 3.211 1.591 467079 51.515 3.211 1.715 551498 31.297 8.501 4.042 340060 31.263 1.719 4.043 923369 31.259 2.346 4.042 272220 31.272 0.794 4.039 256782 31.187 8.230 4.027 190180 31.192 2.075 4.044 172606 43.660 3.436 1.726 242329 43.675 8.498 1.722 598174 43.674 4.043 1.723 632855 43.678 8.233 1.724 345451 43.642 0.771 1.720 487296 43.692 0.983 1.721 750656 43.709 7.312 1.717 290417 43.679 6.469 1.721 386437 43.676 1.204 1.725 378039 43.078 8.234 3.355 279845 43.078 1.976 3.358 268653 43.071 0.625 3.356 667891 43.043 7.789 3.361 116349 43.076 2.399 3.357 280061 43.078 0.893 3.356 236409 43.075 1.067 3.356 1054410 31.601 8.233 1.975 484426 31.642 3.358 1.978 181565 31.596 0.622 1.974 581879 31.581 1.064 1.976 498060 31.568 7.908 1.974 207128 31.602 3.851 1.970 186420 45.366 8.249 0.630 130664 45.312 3.349 0.622 444561 45.319 1.971 0.622 874948 45.310 0.621 0.622 27136856 45.309 1.069 0.622 1633680 45.386 7.914 0.620 110273 45.332 3.845 0.624 150634 45.312 0.770 0.618 981161 45.347 1.871 0.625 238031 45.307 3.684 0.623 280019 45.345 3.228 0.621 210618 45.320 3.514 0.629 275900 47.707 8.230 1.069 622683 47.734 1.972 1.070 771690 47.696 0.626 1.072 1875760 47.755 3.226 1.066 199762 47.725 3.547 1.071 396742 47.701 3.352 1.072 880188 35.715 7.902 3.841 265553 35.652 1.720 3.840 233091 35.608 3.166 3.844 137592 35.672 0.768 3.840 293782 35.688 1.881 3.839 891394 35.644 1.542 3.838 269060 35.665 8.250 3.841 166985 53.180 3.962 1.873 126248 53.225 7.903 1.885 310829 53.178 7.895 1.935 266532 53.258 3.837 1.886 225111 53.236 1.582 1.933 253830 53.218 3.187 1.880 129078 53.259 3.173 1.930 155649 53.245 8.207 1.881 139852 53.183 8.226 1.934 169888 53.235 3.829 1.929 217220 43.300 1.551 3.189 835497 51.142 3.180 1.549 332116 51.142 3.181 1.702 401646 51.039 3.843 1.717 202425 35.411 8.207 4.087 308378 35.399 2.487 4.088 499010 35.380 2.809 4.087 230962 35.468 7.753 4.076 107564 35.323 8.699 4.095 70885 35.430 2.346 4.092 458965 35.384 2.081 4.089 855850 33.659 4.055 2.091 331615 33.594 8.227 2.096 109782 33.662 8.226 2.344 240664 33.770 4.114 2.084 393767 33.659 2.347 2.093 1367458 33.630 7.780 2.351 116231 33.751 0.662 2.097 167948 33.675 0.654 2.337 68622 33.588 0.840 2.082 117243 33.632 0.837 2.345 138734 33.631 4.057 2.339 177433 33.680 2.099 2.374 1465222 40.749 4.064 2.047 192680 40.752 2.490 2.051 358663 40.670 2.795 2.056 129906 40.733 0.682 2.051 385441 40.729 0.813 2.051 595729 40.710 1.630 2.052 412858 40.728 2.048 2.050 67507912 32.355 8.228 2.818 249559 32.275 4.088 2.494 245674 32.421 4.093 2.819 137874 32.315 2.366 2.494 596913 32.472 2.351 2.818 208094 32.290 2.493 2.493 5723537 32.334 2.491 2.814 1469922 32.327 2.811 2.494 1555889 32.458 2.081 2.503 242394 42.041 2.400 3.387 218212 42.012 7.600 3.390 65101 42.114 1.114 3.389 483684 42.077 0.664 3.388 291359 42.121 7.786 3.392 240454 42.088 0.887 3.392 669174 31.570 7.785 2.402 432340 31.571 8.291 2.406 306263 31.607 1.069 2.406 163119 31.628 3.361 2.404 209535 31.555 0.875 2.402 617223 44.990 3.389 0.838 431805 44.982 2.389 0.838 967713 44.936 8.281 0.836 122552 45.053 4.054 0.831 116166 45.018 1.851 0.839 284776 44.905 2.230 0.839 97845 44.924 7.981 0.835 57783 45.004 2.074 0.837 120715 44.936 4.417 0.843 62542 44.959 7.787 0.840 128143 45.017 1.082 0.837 1009950 47.960 7.785 0.919 507557 47.938 2.396 0.920 734257 47.973 8.312 0.927 103636 47.954 3.161 0.922 203506 47.883 1.839 0.935 106448 47.981 1.531 0.918 208183 47.952 0.670 0.920 1411265 48.000 1.345 0.922 170984 47.934 3.383 0.921 596124 33.901 8.280 4.067 281800 33.855 1.543 4.065 468438 33.874 0.854 4.065 1035154 33.998 7.776 4.067 95869 33.912 6.925 4.061 55392 33.908 2.382 4.059 148903 33.837 2.575 4.063 120448 33.875 1.859 4.062 462486 33.921 8.691 4.071 63502 40.838 3.842 1.853 194114 40.776 8.302 1.547 156884 40.786 8.287 1.859 306439 40.829 4.069 1.547 247157 40.839 4.068 1.863 158580 40.815 1.543 1.861 1763737 40.810 0.782 1.545 416127 40.806 0.781 1.861 282778 40.966 8.720 1.878 106143 40.936 8.696 1.859 146196 40.905 2.110 1.852 1974908 40.815 1.856 1.548 1988944 49.242 7.911 0.773 58818 49.355 3.841 0.773 165681 49.459 1.540 0.775 313476 49.705 1.864 0.777 398256 45.831 8.284 0.864 139962 45.929 4.066 0.863 826607 45.967 1.550 0.862 360800 45.884 6.942 0.862 123599 45.847 2.346 0.866 107057 45.890 7.961 0.856 206225 45.935 7.195 0.862 80515 45.906 1.865 0.865 923463 50.696 0.625 1.865 130541 50.841 8.287 1.871 436528 51.157 0.787 1.867 201696 50.847 0.866 1.870 369058 33.895 2.355 4.233 402559 33.928 2.494 4.232 213999 33.924 2.083 4.233 891954 33.918 8.694 4.230 294284 53.772 2.485 2.081 481559 53.780 8.712 2.081 505433 53.781 4.244 2.077 623182 36.915 8.724 2.340 115046 36.747 8.691 2.354 119167 36.768 8.696 2.493 163954 36.778 4.219 2.355 202369 36.763 2.353 2.497 3630424 36.777 2.488 2.356 3424810 36.769 2.493 2.498 6880613 36.767 2.086 2.497 701678 40.588 7.593 3.935 258255 40.443 7.579 4.112 124227 40.607 7.784 3.918 152140 40.543 6.753 4.110 185815 40.499 1.110 3.934 189874 40.561 1.108 4.109 194729 40.489 0.666 3.935 95683 52.197 0.838 2.135 65370 52.063 0.834 2.201 86082 52.140 7.775 2.153 173951 52.171 7.778 2.197 196917 52.099 1.103 2.155 112275 52.175 2.572 2.132 384245 52.119 2.358 2.200 2669522 52.138 2.602 2.202 320194 32.617 7.782 2.573 257573 32.687 2.196 2.379 756069 32.657 2.185 2.572 608236 32.654 7.465 2.574 171174 32.619 2.372 2.572 1935034 32.608 2.570 2.376 2164325 45.872 8.687 3.862 468630 45.895 8.684 4.103 318891 45.871 3.856 4.102 2413832 45.873 4.104 3.858 2355089 32.041 8.103 4.211 161734 32.101 2.152 4.209 346300 32.084 1.904 4.207 744613 53.695 8.102 1.906 263429 53.808 4.220 1.933 348117 36.227 8.101 2.128 154680 36.049 4.205 2.124 188096 36.163 4.217 2.211 295707 42.097 7.686 2.985 164097 42.071 2.997 3.124 2838906 42.187 7.202 2.984 269555 42.160 7.194 3.107 294122 41.999 8.842 2.997 67451 42.043 8.853 3.106 82246 42.235 7.559 3.106 144089 31.471 8.870 4.513 211965 31.398 2.742 4.517 799624 41.310 8.862 2.749 270907 41.273 4.518 2.743 339153 41.830 4.174 4.307 1042783 41.840 4.301 4.175 992223 36.227 2.086 3.933 275532 36.121 7.427 3.946 107893 36.255 4.408 3.936 169056 36.264 2.284 3.931 442803 53.942 3.934 2.229 243842 35.536 0.857 2.360 119127 35.576 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54.188 8.461 4.595 173104 41.079 4.597 2.724 212280 45.712 8.498 3.944 421197 45.283 8.029 3.954 252909 31.189 1.602 4.455 424414 31.199 0.851 4.459 363754 31.199 1.665 4.455 292215 42.451 4.428 1.681 203481 42.356 0.890 1.688 285823 49.433 1.631 0.914 415776 47.303 4.461 0.842 226429 37.599 1.260 4.439 458582 37.631 8.379 4.445 201620 46.183 1.264 4.447 340922 46.187 8.345 4.452 166591 45.607 4.440 1.266 488931 39.843 1.221 4.123 267708 39.817 8.334 4.114 163071 33.710 8.097 4.114 141198 33.654 2.279 4.111 233962 33.506 8.302 4.136 159376 53.960 4.114 2.083 169491 54.029 2.241 1.947 1967833 36.544 4.119 2.294 219255 36.596 8.094 2.262 137682 33.665 8.284 4.124 239890 33.532 1.645 4.143 266016 33.542 1.848 4.138 409485 33.506 8.201 4.136 98869 54.281 8.286 1.873 186399 54.342 4.124 1.840 301777 51.406 4.171 1.624 120649 51.406 3.200 1.624 483578 51.406 3.185 1.691 265051 51.447 4.163 1.697 104993 32.883 8.235 4.192 171305 32.765 2.073 4.205 404820 52.779 8.212 2.088 135263 32.741 8.005 4.253 330875 54.556 4.251 1.802 180095 31.255 8.046 4.286 330777 31.112 1.592 4.314 434856 31.281 0.864 4.294 448255 42.240 4.292 1.684 244381 42.314 0.862 1.548 165123 42.218 4.298 1.572 340672 42.235 0.898 1.571 333456 42.320 8.018 1.686 179650 47.171 4.292 0.863 295269 32.103 8.045 4.295 150583 32.178 8.380 4.295 552252 54.524 8.354 4.564 93081 54.530 2.039 4.556 159219 54.562 2.291 4.555 130475 54.427 3.717 4.554 464891 54.429 3.777 4.551 468771 53.485 4.558 1.892 105550 53.554 4.555 2.039 144577 53.543 2.281 1.898 290268 39.242 2.302 4.403 320855 39.265 1.972 4.405 226309 31.983 1.937 2.297 2481505 50.579 4.553 3.687 322448 50.503 4.548 3.784 322771 50.650 2.291 3.690 84000 50.478 2.305 3.788 101210 50.530 2.026 3.687 441474 50.558 2.023 3.787 477445 51.293 2.279 2.003 608429 51.346 3.676 2.007 319189 51.346 3.785 2.008 260135 51.286 2.009 2.010 40909216 32.692 2.012 4.231 453022 32.720 2.253 4.235 223661 32.681 8.361 4.229 283881 36.206 4.199 2.278 182033 32.660 1.873 4.259 436338 54.557 4.255 1.879 308733 32.712 8.507 4.234 263918 54.888 4.274 1.607 178256 32.655 8.151 4.243 142806 54.114 8.092 2.032 139907 42.195 4.329 1.645 244274 42.216 0.905 1.634 170940 34.140 4.475 4.475 18281800 39.884 3.872 3.873 57064984 51.155 1.169 1.454 1779831 51.194 1.454 1.178 1528562 51.067 0.843 1.204 507307 41.453 1.861 0.888 339001 41.617 1.143 0.881 841263 32.507 1.578 4.193 147038 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 HC 1 4522 . . . 11017 2 2 H 1 H 2 8692 . . . 11017 2 3 H 1 'HC aliph' 1 12001 . . . 11017 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_c13_noesy_arom_spectra_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode c13_noesy_arom_spectra_peak_list _Spectral_peak_list.Entry_ID 11017 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $CN_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY arom' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 124.265 1.714 6.766 134871 124.277 2.228 6.759 89755 129.660 7.218 7.217 2865148 129.624 7.428 7.217 842388 132.483 2.770 7.476 102657 132.350 2.924 7.473 147875 132.370 1.106 7.470 138741 131.654 7.222 7.436 503674 131.743 7.439 7.435 3088656 134.218 1.914 7.187 106263 134.243 7.673 7.192 127763 134.150 2.985 7.192 246659 134.247 7.185 7.189 7676415 134.219 6.739 7.190 834769 134.305 1.563 7.185 114760 134.227 1.081 7.188 123673 117.881 4.094 6.743 92157 117.770 1.893 6.737 89080 117.764 7.185 6.739 862519 117.717 1.088 6.734 88312 117.869 3.741 6.744 159912 127.057 3.069 7.099 171994 127.090 7.098 7.102 3918229 127.113 10.039 7.097 240192 120.762 7.402 7.403 1220401 124.198 6.763 6.768 1955048 124.198 7.315 6.767 149105 114.883 10.037 7.310 99658 114.896 6.760 7.318 238308 114.817 7.315 7.317 2898154 121.252 6.659 6.657 767341 124.266 1.070 6.940 221977 124.297 7.832 6.931 81888 124.265 6.936 6.938 3766800 124.260 10.085 6.938 361944 119.960 1.692 7.300 70441 119.974 0.982 7.298 185871 120.071 3.120 7.301 79985 119.985 7.293 7.295 1251111 123.428 7.394 5.881 65568 123.327 0.881 5.884 103706 123.416 5.874 5.878 2573268 123.367 7.077 5.874 235777 123.455 6.453 5.876 268787 114.653 7.467 7.079 149035 114.895 2.875 7.089 80018 114.843 0.501 7.087 103783 114.821 10.080 7.086 120420 114.695 5.872 7.078 330631 114.689 7.080 7.082 3099828 120.745 1.692 6.458 132017 120.737 5.875 6.455 115232 120.806 6.455 6.457 1510677 120.781 0.844 6.450 94413 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'HC arom' 1 5652 . . . 11017 3 2 H 1 H 2 8692 . . . 11017 3 3 H 1 'HC arom' 1 12001 . . . 11017 3 stop_ save_