Content for NMR-STAR saveframe, "spectral_peak_list_1"
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 16560
_Spectral_peak_list.ID 1
_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.Experiment_ID 11
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Details ali-noesy
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
7.208 42.843 2.924 492166
7.217 42.837 2.669 533998
6.974 41.815 2.846 493613
6.961 41.815 2.655 369071
6.963 56.519 5.272 342092
7.581 38.829 2.966 581091
7.577 38.747 3.049 631022
7.151 38.789 3.051 617266
7.465 46.918 0.698 571841
8.112 47.910 0.534 548585
8.475 24.807 -0.237 381380
8.240 24.733 -0.232 134224
8.131 24.845 -0.236 126398
7.567 24.801 -0.237 246571
7.270 24.800 -0.235 549051
7.054 24.788 -0.237 839535
6.882 24.791 -0.237 761096
8.469 23.554 0.175 557896
8.042 47.611 0.171 260420
7.551 23.591 0.175 398581
7.263 23.616 0.174 430508
7.523 22.580 0.868 745086
8.252 25.724 0.883 481973
7.521 25.743 0.886 624700
7.322 25.719 0.886 489636
7.158 25.698 0.886 835412
8.044 25.757 0.883 258967
8.496 26.382 0.951 416302
8.503 24.498 0.849 527001
7.040 27.642 1.206 1955495
6.865 27.653 1.206 655574
6.838 27.551 1.208 665711
7.138 27.551 1.208 518132
8.190 27.663 1.207 151336
8.193 27.551 1.206 151336
6.899 27.551 1.208 589304
8.921 25.734 0.921 391441
7.066 25.741 0.924 730820
6.869 25.732 0.922 867743
7.226 23.162 1.051 439763
8.168 23.182 1.052 310963
7.048 23.160 1.054 1837983
6.886 23.163 1.054 1128832
7.044 25.627 0.528 1024843
6.845 25.587 0.529 433984
7.226 25.579 0.529 206038
7.071 49.690 1.232 227868
7.221 49.549 1.779 146948
7.609 49.549 1.788 260381
7.661 32.848 1.868 580594
7.670 32.823 1.772 406397
8.378 33.082 1.875 429677
8.381 33.082 1.783 475328
8.378 32.899 1.879 279024
8.385 32.899 1.779 308646
3.863 32.712 1.774 331736
3.863 32.712 1.861 563298
7.670 32.712 1.770 375980
7.674 32.712 1.865 495510
7.364 48.781 1.466 383005
7.547 24.781 1.316 156822
8.569 24.781 1.330 212220
3.870 42.146 2.882 512909
8.872 37.553 3.846 389890
8.869 37.566 3.792 361128
8.870 37.497 3.699 383856
4.241 34.027 4.244 5914618
4.258 34.173 4.260 6519194
7.145 34.173 4.251 271412
6.825 34.173 4.251 236276
8.201 34.173 4.247 226478
7.023 42.616 3.170 457016
7.020 42.609 2.457 439404
7.510 51.348 1.736 488372
3.342 51.348 1.772 438501
3.131 51.348 1.777 351640
7.047 39.060 3.797 254902
7.067 39.060 3.906 657827
7.060 39.060 3.956 574166
7.190 39.060 3.947 204804
9.287 39.060 3.806 211179
7.255 38.700 3.261 639797
8.191 38.702 3.261 684422
8.187 38.708 3.024 800277
7.247 38.631 3.025 943068
7.033 38.691 3.259 178653
6.899 38.710 3.261 199305
7.040 38.719 3.030 380197
8.477 38.564 4.010 262769
8.089 38.564 4.010 596544
8.096 38.564 3.053 876788
7.163 38.564 4.010 535492
7.156 38.564 3.053 682333
4.003 38.564 4.010 6704010
4.003 38.564 3.057 645749
3.049 38.564 3.057 9486551
3.056 38.564 4.006 968735
8.102 38.189 2.894 636973
8.102 38.189 3.057 1044781
7.169 38.189 3.053 613780
7.169 38.189 2.889 540469
6.871 38.875 3.030 893601
7.067 38.958 3.034 344627
7.939 38.958 3.030 372379
8.191 38.958 3.025 623172
8.940 38.958 3.034 312376
8.566 38.958 3.030 966520
9.555 56.548 5.273 1133744
8.643 32.115 4.340 300991
8.981 32.084 4.344 346702
8.862 39.855 3.106 187689
8.839 39.878 3.233 151924
6.989 39.877 3.106 699700
6.990 39.876 3.239 644976
3.996 48.861 1.459 784660
4.370 48.754 1.454 450051
4.370 48.754 1.423 380108
2.993 48.754 1.450 298617
2.993 48.754 1.411 232191
6.767 56.529 5.274 184587
7.375 56.484 5.270 139485
9.297 56.523 5.274 295531
8.497 56.535 5.275 488497
4.491 39.324 2.785 1601036
4.489 39.296 2.730 1447982
7.558 39.327 2.785 1606980
7.559 39.307 2.729 1488756
7.368 39.337 2.786 440518
7.372 39.300 2.728 434141
8.478 39.371 2.735 131238
8.483 39.307 2.787 182598
7.040 39.262 2.730 233048
7.021 39.231 2.786 168845
7.025 39.330 2.785 168845
2.797 39.315 2.785 7699177
2.712 39.332 2.721 6081934
2.717 39.330 2.787 8247455
2.792 39.330 2.721 4768980
2.499 39.967 2.501 2924116
2.397 39.933 2.503 2412166
2.394 39.933 2.408 2601819
2.499 39.933 2.410 2395771
3.023 39.946 2.408 442674
3.020 39.904 2.505 347193
1.401 39.956 2.497 142891
5.092 39.955 2.502 139445
5.093 39.981 2.422 144193
8.794 39.992 2.502 658638
8.795 39.963 2.411 681012
8.495 39.962 2.504 310291
8.485 39.957 2.415 258944
7.938 39.971 2.504 192429
7.941 39.984 2.417 208132
6.743 39.983 2.500 542824
6.743 39.955 2.413 425064
7.035 39.933 2.505 190810
7.038 39.933 2.415 141886
2.608 42.960 2.603 2152700
2.527 42.960 2.603 2196321
2.523 42.960 2.530 2206951
2.612 42.960 2.528 1948725
1.352 42.960 2.603 331350
1.352 42.960 2.535 381632
0.817 42.960 2.533 384499
0.817 42.960 2.598 299940
4.667 43.014 2.604 483923
4.669 43.014 2.536 503814
7.463 42.962 2.523 135220
6.892 43.026 2.604 288067
6.899 43.045 2.535 341584
5.652 42.859 2.927 464126
5.657 42.855 2.671 268232
7.989 42.822 2.917 320864
7.982 42.842 2.662 239676
8.871 42.828 2.927 358504
8.868 42.833 2.667 204244
3.183 47.141 3.183 1575270
3.818 47.147 3.185 1762116
3.185 47.139 3.819 1919242
3.030 47.123 3.819 415399
3.020 47.096 3.180 161350
3.825 47.107 3.821 4016220
-0.234 47.055 3.817 141433
0.174 47.131 3.817 182673
0.167 47.115 3.183 217776
-0.235 47.116 3.185 190904
1.133 47.162 3.821 225024
0.918 47.126 3.820 784494
1.139 47.172 3.181 263441
0.916 47.150 3.186 630998
0.812 47.156 3.184 349928
8.936 47.155 3.820 994231
8.937 47.147 3.186 763071
8.492 47.196 3.188 171116
7.816 47.091 3.186 271173
8.449 47.088 3.821 873410
7.816 47.133 3.829 378881
7.917 47.084 3.910 414132
7.910 47.063 3.820 348336
8.445 47.088 3.912 867701
7.919 47.178 3.907 414132
7.912 47.178 3.821 348336
4.738 50.751 4.734 1714320
8.525 50.773 4.734 601189
1.390 50.787 4.734 524136
8.970 31.953 4.598 303933
8.124 31.953 4.593 246938
4.662 38.676 4.662 4084403
1.514 50.287 2.064 396949
7.018 50.276 2.064 381815
6.527 50.207 2.077 151215
4.415 50.269 2.066 762700
3.434 50.260 2.066 1117473
2.053 50.261 2.069 1391299
7.022 50.252 3.442 280836
6.531 50.272 3.434 147160
8.353 50.278 3.452 100260
1.508 50.237 3.436 358806
2.058 50.242 3.433 1248770
3.420 50.242 3.433 1250582
4.415 50.242 3.442 760757
1.963 50.242 3.435 485168
1.963 50.242 2.068 486014
0.901 50.242 3.453 104572
8.728 39.246 3.190 167263
8.738 39.285 2.995 247370
7.602 39.244 2.995 221732
7.595 39.244 3.199 111537
4.851 39.244 2.995 451510
4.851 39.244 3.185 341622
3.182 39.244 3.190 661128
2.993 39.192 3.188 603359
3.187 39.237 2.996 642471
3.005 39.244 2.999 1228576
1.788 39.259 2.991 421469
1.786 39.276 3.190 360517
1.206 39.219 3.193 291046
1.200 39.244 2.995 411601
2.051 39.271 2.997 118201
2.061 39.259 3.187 112631
1.553 39.248 2.994 158578
4.584 18.135 1.379 2207683
3.673 18.136 1.378 941008
8.480 39.271 2.727 132788
8.262 39.271 3.190 111805
8.262 39.271 2.995 140194
3.997 34.146 2.470 903370
4.002 34.141 2.344 1011724
1.799 34.174 2.470 848093
1.800 34.140 2.344 865074
1.544 34.152 2.470 1038235
1.545 34.138 2.344 823398
7.816 34.149 2.469 881574
7.817 34.133 2.345 636552
7.403 34.128 2.347 369045
7.398 34.156 2.471 489343
6.675 34.208 2.478 207676
6.678 34.183 2.355 184642
0.811 42.517 1.492 1472664
0.820 42.454 1.412 1563577
0.805 42.569 1.401 1320199
4.319 42.566 1.490 865000
4.322 42.481 1.407 830981
8.125 42.499 1.493 797028
8.133 42.473 1.410 613607
8.126 42.569 1.415 459913
8.392 42.569 1.410 177901
8.385 42.569 1.492 133041
1.886 42.265 1.887 1404049
1.762 42.270 1.887 669605
0.937 42.272 1.886 894153
0.860 42.235 1.887 700726
0.941 42.235 1.415 966790
0.853 42.235 1.419 1224332
0.371 42.251 1.885 183108
0.371 42.212 1.417 293636
4.245 42.316 2.142 157884
7.577 38.217 2.842 349401
7.814 38.236 2.839 890519
8.099 38.316 2.845 527088
7.577 38.217 2.842 349401
4.469 38.316 2.836 1293873
4.469 38.316 3.026 1321330
4.385 33.897 2.402 1686515
8.386 33.893 2.404 835371
8.583 33.897 2.391 279637
8.501 33.897 2.409 165714
7.537 33.897 2.406 406459
8.593 55.609 4.385 2870409
8.361 55.523 4.386 1017369
8.521 55.609 4.383 2033311
2.398 55.531 4.386 1868890
2.096 55.526 4.386 1578367
1.959 55.540 4.385 1971288
2.164 55.609 4.381 1546982
1.489 55.765 4.355 401976
1.481 55.562 4.385 1032203
8.872 35.790 2.137 308721
8.869 35.750 1.822 220352
7.626 35.750 2.132 214890
7.639 35.750 1.828 399365
6.781 35.750 1.828 320924
6.781 35.750 2.137 156066
3.812 34.556 4.466 761489
3.737 34.556 4.461 778849
7.435 34.556 4.461 407909
8.143 34.532 4.466 157770
8.379 54.592 4.323 1482448
8.123 54.648 4.321 699221
9.547 54.474 4.312 665850
8.262 54.934 4.290 392880
8.113 54.934 4.285 472208
8.000 55.177 4.283 890402
8.256 55.177 4.287 475569
8.116 55.177 4.285 532476
8.408 55.382 4.307 1647098
8.412 32.355 4.369 1779924
8.361 32.281 4.369 1381143
8.487 32.582 4.416 594493
8.232 32.572 4.417 463334
0.526 27.790 1.606 471480
0.529 27.790 1.575 464491
0.846 27.790 1.609 699126
0.846 27.790 1.581 801211
1.619 27.790 1.606 4746230
1.588 27.790 1.579 6743402
1.582 27.790 1.602 6637515
1.633 27.790 1.577 5116416
1.926 27.790 1.606 619340
1.929 27.790 1.579 724180
2.062 27.790 1.609 589278
2.062 27.790 1.586 596486
9.289 51.422 1.535 265260
8.531 27.414 1.538 320201
6.826 51.706 1.527 214082
8.358 27.706 1.600 162748
8.569 27.706 1.588 150883
2.874 26.581 1.699 297415
2.878 26.603 1.422 265038
3.857 26.613 1.422 676606
3.847 26.612 1.708 386626
7.513 50.564 1.709 215721
4.367 32.799 1.874 983235
4.364 32.799 1.781 790856
7.677 32.986 1.779 221556
8.438 53.873 1.686 457865
8.658 63.257 4.414 2313211
8.424 63.126 4.392 1281817
4.401 63.194 4.403 60809968
3.803 63.283 4.418 478158
3.674 63.265 4.415 232515
2.304 63.219 4.409 2588996
1.915 63.234 4.409 1126337
1.377 62.958 4.406 342842
-0.035 63.047 4.389 189070
8.431 52.292 4.268 229845
8.302 52.382 4.276 2350438
6.870 52.199 4.269 148478
4.620 52.346 4.276 189016
4.275 52.386 4.275 80063712
1.380 52.374 4.276 2956615
4.305 55.366 4.307 45619992
3.963 55.143 4.293 197567
2.355 55.315 4.306 443719
2.184 55.161 4.283 1191433
2.072 55.401 4.310 828751
1.949 55.414 4.314 568752
1.536 55.157 4.284 3106769
9.335 50.852 4.592 148212
8.407 50.595 4.579 320820
4.581 50.628 4.583 35542200
3.800 50.646 4.583 3126106
3.673 50.624 4.583 2805422
2.025 50.667 4.580 305347
1.995 50.370 4.591 191116
1.378 50.619 4.582 1747750
1.378 63.410 4.407 374886
8.656 56.864 4.308 570663
8.208 56.852 4.307 1307843
4.308 56.833 4.313 38663656
2.285 56.851 4.308 695515
2.039 56.866 4.306 1351486
8.376 61.993 4.337 1407465
8.205 61.983 4.336 291010
4.335 61.982 4.336 29381640
4.198 61.979 4.337 1402488
1.795 61.837 4.336 143801
1.456 62.076 4.336 196747
1.212 61.985 4.336 1410694
3.842 56.544 4.391 191166
2.400 55.953 4.379 555939
1.939 56.147 4.343 1381354
1.877 56.350 4.367 1463022
1.434 56.306 4.369 905076
4.384 55.557 4.385 31396570
1.187 55.462 4.392 291706
0.972 55.765 4.372 184944
8.853 52.206 4.446 782232
8.509 52.208 4.446 512244
6.988 52.177 4.443 173430
4.800 52.201 4.447 546265
4.622 51.992 4.435 223419
4.444 52.214 4.447 9899149
3.237 52.190 4.455 180698
2.007 52.075 4.474 140115
2.005 52.025 4.443 105374
1.472 52.201 4.448 3078731
6.990 56.133 4.417 580586
6.522 56.050 4.414 339988
3.438 56.148 4.417 1007692
3.240 56.159 4.417 555818
3.123 56.108 4.428 323469
2.064 56.119 4.415 986655
1.477 55.953 4.397 333308
8.356 62.107 4.862 386407
4.855 62.180 4.863 1203696
4.335 61.985 4.870 1233511
2.384 62.128 4.863 355426
2.099 62.117 4.855 185018
1.953 62.170 4.861 274278
8.566 60.533 3.653 178461
8.359 60.544 3.653 707429
8.229 60.490 3.652 143969
8.031 60.550 3.653 266286
7.033 60.548 3.653 821535
4.850 60.556 3.653 137849
3.908 60.403 3.650 123301
3.653 60.441 3.653 7054734
3.261 60.573 3.650 173687
2.235 60.547 3.651 468774
2.055 60.536 3.653 819340
1.933 60.536 3.653 676236
1.584 60.554 3.653 912279
1.134 60.594 3.650 308905
0.926 60.533 3.651 816843
0.525 60.538 3.656 316623
9.401 59.618 3.922 237341
8.562 59.990 3.927 715606
8.012 59.975 3.927 257665
7.618 59.721 3.921 347190
4.787 59.655 3.915 210353
3.924 59.850 3.925 11380705
1.775 59.832 3.923 1943277
1.595 59.941 3.925 1644050
1.481 59.653 3.917 794470
1.328 59.975 3.925 559137
1.148 59.970 3.927 376213
0.846 59.963 3.928 549521
8.247 59.857 4.486 257625
8.025 59.829 4.487 670489
7.582 59.847 4.487 676609
7.317 59.809 4.488 176524
7.157 59.836 4.488 875455
4.488 59.871 4.490 6330204
4.334 59.761 4.495 209923
1.538 59.815 4.488 1463320
1.373 59.669 4.493 136781
1.305 59.929 4.489 212394
0.883 59.836 4.488 495877
8.246 66.388 3.611 396086
8.026 66.397 3.612 620199
7.073 66.359 3.610 300719
6.891 66.376 3.608 272821
3.611 66.389 3.611 4448246
2.924 66.218 3.600 215423
2.233 66.394 3.609 572876
1.526 66.331 3.611 127287
1.292 66.394 3.611 672184
1.129 66.383 3.611 1042868
0.928 66.402 3.611 1107167
0.168 66.386 3.610 661079
-0.235 66.372 3.612 401965
8.120 57.832 4.240 493389
4.401 58.073 4.245 290922
3.984 58.059 4.245 279248
2.099 57.880 4.240 724875
1.846 57.893 4.240 1253687
1.513 57.835 4.240 1319111
1.295 57.821 4.243 207482
0.826 57.830 4.240 2317617
0.537 57.804 4.248 205929
8.263 54.919 3.943 753725
8.111 54.909 3.942 384711
7.811 54.923 3.941 323983
7.469 55.009 3.948 126416
7.418 55.010 3.932 177155
7.160 54.897 3.939 255669
6.835 54.863 3.945 259225
3.942 54.905 3.942 5957512
3.605 54.921 3.943 144554
2.889 54.922 3.940 322385
1.794 54.908 3.943 300405
1.540 54.916 3.941 709943
1.294 54.910 3.942 1967037
0.881 54.896 3.942 709039
8.111 58.063 4.015 637886
7.066 58.072 4.013 314578
6.862 58.061 4.015 591604
4.412 58.160 4.023 201448
2.099 58.156 4.013 336113
1.173 58.098 4.020 182123
0.788 58.047 4.019 249156
0.531 58.071 4.016 920115
8.119 59.755 3.971 1005061
7.817 59.701 3.968 231992
7.439 59.741 3.975 221326
4.776 59.673 3.970 150754
3.965 59.752 3.969 8016364
2.354 59.740 3.968 622759
2.191 59.738 3.970 2372687
7.814 57.602 4.007 812323
7.449 57.687 4.007 434222
7.171 57.626 4.018 112258
4.005 57.633 4.006 7984790
2.470 57.579 4.006 657180
2.339 57.544 4.006 913377
2.181 57.685 4.007 221480
1.798 57.569 4.008 1045234
1.541 57.732 4.007 983924
7.450 58.437 4.263 884738
3.826 58.428 4.262 1125977
3.594 58.457 4.265 1079348
3.039 58.443 4.265 280226
9.862 58.456 4.455 152912
8.820 58.558 4.466 1570568
4.785 58.629 4.458 162665
1.178 58.537 4.466 854387
0.528 58.461 4.458 177340
3.746 52.561 4.802 207878
2.007 52.780 4.780 271130
2.006 52.783 4.763 274654
2.744 56.558 4.417 3005926
1.675 56.707 4.406 140036
8.464 51.729 4.534 137651
8.233 51.748 4.535 674911
4.533 51.723 4.535 9860934
4.388 51.708 4.539 157496
1.698 51.726 4.535 3160624
9.859 56.621 5.057 1190414
8.460 56.605 5.057 298488
7.367 56.600 5.058 325945
5.058 56.629 5.058 2347919
4.691 56.681 5.066 201847
3.430 56.650 5.059 354940
3.037 56.567 5.060 357235
1.177 56.638 5.056 255267
0.824 56.583 5.054 240446
0.466 56.615 5.058 419010
9.853 50.163 5.107 294657
8.798 50.164 5.103 1571336
5.101 50.153 5.103 4148324
4.462 50.165 5.103 451317
3.795 50.117 5.100 203506
3.024 50.128 5.107 198904
2.491 50.153 5.098 167110
1.178 50.158 5.103 1748371
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0.807 27.430 -0.532 1198190
0.606 27.427 -0.532 1217401
0.543 27.434 -0.532 1232954
0.370 27.430 -0.532 4050551
-0.535 27.427 -0.533 27422982
3.785 25.160 0.829 217694
8.225 22.015 0.826 757420
8.019 22.072 0.827 440051
7.219 22.084 0.827 213343
7.060 22.118 0.826 239737
6.842 22.018 0.826 688005
4.391 21.981 0.819 218332
4.240 22.014 0.824 2733334
3.920 22.172 0.825 147789
2.217 21.991 0.822 283462
2.091 21.994 0.823 574510
1.847 22.011 0.824 3501564
1.513 22.016 0.824 2063134
1.307 22.016 0.824 1598449
1.138 22.026 0.823 856051
0.973 22.032 0.822 987789
0.825 22.016 0.825 56852168
0.528 22.012 0.824 1742787
0.154 22.001 0.823 336678
-0.217 22.202 0.830 112520
-0.533 22.031 0.824 185864
9.078 25.974 0.782 706510
8.265 26.112 0.783 162649
8.114 25.991 0.781 446269
7.982 25.986 0.780 207671
7.222 25.972 0.781 753830
7.082 25.989 0.780 219221
6.840 25.970 0.782 1194199
5.659 25.918 0.779 148580
4.705 25.960 0.782 455188
4.404 25.969 0.781 441244
4.242 26.051 0.781 284184
4.003 26.024 0.784 284580
2.097 25.965 0.781 962420
1.531 25.977 0.782 2169474
1.306 25.962 0.782 2245689
1.027 26.077 0.781 254791
0.940 25.990 0.785 521029
0.781 25.962 0.782 40539920
0.529 25.966 0.782 3188990
0.366 25.998 0.782 296677
-0.536 25.963 0.782 986611
8.871 26.416 0.947 354686
7.089 26.365 0.945 142109
6.856 26.350 0.945 277770
3.820 26.404 0.948 1400808
1.864 26.431 0.948 1053500
1.758 26.506 0.949 2449630
1.516 26.374 0.950 690364
1.421 26.416 0.948 909954
1.274 26.357 0.948 201907
1.193 26.311 0.945 281173
1.107 26.271 0.952 320117
0.945 26.377 0.948 32575572
0.616 26.384 0.949 332783
0.366 26.449 0.948 481990
3.833 24.797 -0.229 129218
3.616 24.788 -0.236 1132502
3.190 24.783 -0.237 177618
3.029 24.779 -0.232 177773
1.713 24.840 -0.236 138708
1.292 24.791 -0.236 1074923
1.126 24.792 -0.236 1909128
0.910 24.787 -0.236 1615979
0.805 24.775 -0.236 2424071
0.171 24.788 -0.236 3136407
-0.237 24.786 -0.236 32094410
8.445 22.602 0.868 264782
7.349 22.599 0.870 481436
7.160 22.603 0.869 561909
6.823 22.599 0.869 488683
6.676 22.553 0.870 300527
4.086 22.608 0.870 3628610
1.740 22.603 0.870 3752794
1.526 22.617 0.870 830981
1.356 22.602 0.870 1696636
1.111 22.621 0.868 515700
1.027 22.598 0.871 1183527
0.868 22.605 0.869 84614400
-0.457 22.780 0.850 244588
7.092 22.927 0.696 227696
6.889 22.935 0.696 287644
6.522 22.955 0.699 298760
3.843 22.946 0.698 2679190
2.577 22.958 0.696 277366
2.405 23.034 0.698 227768
1.923 23.059 0.711 247344
1.758 23.000 0.701 292133
1.340 22.951 0.698 2746922
1.046 22.951 0.698 1153261
0.952 22.963 0.696 336235
0.832 22.955 0.698 8821021
0.696 22.951 0.698 114984696
0.531 22.994 0.715 367158
7.287 25.751 0.927 191931
4.231 25.734 0.924 354053
4.052 25.772 0.945 294845
3.822 25.739 0.922 958644
3.184 25.731 0.921 762842
1.987 25.740 0.921 1168491
1.649 25.725 0.921 1677269
1.054 25.735 0.922 3361741
0.616 25.639 0.929 190242
0.373 25.750 0.925 253571
0.170 25.739 0.919 512356
-0.238 25.714 0.924 621054
-0.510 25.782 0.927 150832
8.171 24.143 0.934 558988
7.635 24.129 0.939 235529
7.472 24.220 0.942 191941
7.378 24.107 0.940 144489
7.180 24.138 0.932 525686
7.043 24.142 0.934 1887077
6.842 24.154 0.933 1301659
3.871 24.043 0.942 126653
3.511 24.150 0.932 795851
2.559 24.147 0.931 348747
2.413 23.876 0.945 156588
2.136 24.136 0.935 739105
1.391 24.150 0.937 506354
1.200 24.149 0.934 3253487
0.617 24.154 0.935 972776
-0.228 24.206 0.933 113740
-0.535 24.038 0.941 315910
7.990 22.993 0.533 345943
7.065 22.983 0.533 766587
6.841 23.028 0.532 205118
4.228 22.984 0.534 3083011
3.271 22.976 0.535 646050
2.072 22.968 0.535 265803
1.845 23.071 0.526 246337
1.587 22.970 0.533 899473
1.238 22.990 0.533 2053942
0.830 22.992 0.534 2508600
0.706 22.982 0.536 397178
0.530 22.986 0.533 62257528
0.165 22.981 0.534 1399206
9.286 26.322 0.848 227553
6.818 26.154 0.845 290843
5.220 26.109 0.846 168183
4.727 26.436 0.843 268148
4.239 26.188 0.847 264097
2.873 26.380 0.844 543328
2.656 26.096 0.857 242770
1.732 26.327 0.843 2259242
1.534 26.328 0.843 2901668
1.415 26.181 0.845 688549
0.842 26.336 0.845 48732244
0.615 26.271 0.844 283254
0.370 26.316 0.843 1020359
9.869 25.737 0.373 145323
9.852 25.471 0.385 131450
9.554 25.634 0.375 854393
8.514 25.613 0.375 359995
7.070 25.594 0.372 208444
6.866 25.664 0.375 512746
5.874 25.692 0.376 276154
5.271 25.627 0.374 376219
3.822 25.596 0.374 1003680
3.021 25.604 0.375 597249
2.879 25.607 0.369 152476
1.877 25.628 0.372 192058
1.739 25.598 0.375 297433
1.525 25.647 0.374 253797
1.308 25.727 0.374 1902513
1.164 25.669 0.375 1314922
0.851 25.613 0.375 1194006
0.616 25.590 0.375 535954
0.537 25.719 0.374 521640
0.371 25.627 0.375 24111694
-0.536 25.657 0.375 2162815
8.385 23.523 0.774 215199
8.130 23.505 0.777 332171
7.995 23.460 0.778 132156
6.495 23.651 0.792 112201
4.322 23.496 0.772 2042670
1.840 23.464 0.779 356631
1.782 23.636 0.789 152616
0.772 23.500 0.772 149852928
4.357 29.246 1.683 419302
2.978 29.102 1.684 882339
1.851 29.405 1.686 1579800
1.687 29.090 1.690 158833168
1.452 29.144 1.687 3610569
4.847 50.262 3.436 127413
2.393 50.226 3.439 158497
8.569 43.455 3.300 111990
8.355 43.437 3.303 161995
3.652 43.407 3.300 204674
3.273 43.445 3.297 13927078
2.054 43.446 3.299 634802
1.932 43.448 3.297 708279
1.589 43.451 3.297 1717116
0.847 43.422 3.298 437105
0.530 43.449 3.298 601488
2.859 29.280 1.565 1184612
1.563 29.290 1.566 32526948
1.329 29.285 1.564 1609643
1.153 29.286 1.566 1220579
8.110 29.132 1.473 170826
7.529 29.164 1.478 184029
7.374 29.151 1.476 296043
7.155 29.107 1.476 205873
4.338 29.244 1.492 394458
3.991 29.149 1.471 822064
2.832 29.146 1.473 1365528
2.079 29.183 1.474 158833
1.804 29.155 1.478 1690183
1.622 29.079 1.476 4521095
1.484 29.180 1.487 58179388
1.299 29.134 1.470 3500302
0.855 29.077 1.471 418381
8.425 50.103 3.636 274334
8.374 50.104 3.634 274176
7.346 50.148 3.642 104645
7.124 50.145 3.628 114118
4.581 50.058 3.632 1640250
3.297 50.063 3.631 2991289
2.376 50.006 3.630 252892
1.977 50.074 3.631 1646810
1.698 50.076 3.624 124312
8.652 43.446 3.352 194052
4.796 43.450 3.348 281778
4.082 43.476 3.350 190153
3.914 43.465 3.348 220305
3.344 43.448 3.348 4902278
3.137 43.446 3.350 3371394
1.767 43.448 3.350 2027891
8.875 29.281 1.738 160813
7.172 29.164 1.734 169138
6.792 29.274 1.737 170161
4.789 29.275 1.738 420136
3.025 29.260 1.737 3101479
2.133 29.295 1.741 831018
1.899 29.266 1.735 1617173
1.733 29.255 1.736 82869624
1.468 29.226 1.731 3093997
0.531 39.284 3.194 111275
6.885 42.658 2.379 315323
6.776 42.671 2.374 165363
4.637 42.697 2.370 162681
2.372 42.658 2.376 1917604
1.626 42.664 2.375 496367
1.461 42.658 2.376 1864804
1.231 42.657 2.374 483903
1.025 42.656 2.376 458921
8.824 51.249 3.993 175148
4.400 51.243 3.987 2942931
3.986 51.244 3.987 5925036
3.677 51.243 3.988 5015875
2.305 51.224 3.985 356032
2.133 51.242 3.989 1053047
1.961 51.242 3.988 1320492
0.966 51.249 3.988 1246976
8.976 29.277 1.503 164551
4.772 29.248 1.502 525751
2.903 29.215 1.496 1722301
2.271 29.170 1.503 335938
1.165 29.243 1.501 1905458
7.372 43.005 1.812 274093
6.469 42.998 1.815 307180
4.795 43.026 1.811 258619
1.806 43.008 1.812 2902843
1.641 42.999 1.812 2229591
1.044 43.009 1.807 271237
0.628 43.017 1.812 518031
0.471 43.014 1.813 917897
4.704 29.046 1.619 155919
4.334 29.104 1.630 224124
3.927 29.099 1.617 306591
2.904 29.125 1.610 867310
1.792 29.012 1.619 482834
1.171 29.120 1.609 1253117
0.848 29.061 1.611 374767
4.851 50.300 2.070 120301
3.652 43.408 3.247 169183
3.266 43.438 3.247 13595326
2.052 43.430 3.246 621640
1.934 43.441 3.245 734845
1.590 43.442 3.246 1657884
0.845 43.450 3.246 406645
0.529 43.430 3.248 589085
8.430 50.047 3.297 220094
4.709 50.068 3.299 153996
4.580 50.056 3.300 1490352
3.631 50.056 3.299 2884553
3.297 50.055 3.299 3299172
2.385 50.036 3.300 271616
2.113 50.009 3.299 127062
1.980 50.058 3.299 1729656
1.700 50.010 3.298 151307
8.641 43.467 3.140 192599
4.801 43.491 3.144 224061
4.078 43.449 3.137 216291
3.914 43.446 3.140 177673
3.349 43.450 3.139 3318163
3.137 43.451 3.139 4464238
1.765 43.449 3.139 2009966
8.800 51.247 3.671 136110
4.399 51.239 3.678 2371413
4.139 51.089 3.691 134861
3.986 51.241 3.678 5123698
2.303 51.244 3.678 399780
2.130 51.246 3.679 1321886
1.950 51.221 3.678 1160247
0.966 51.244 3.678 1742630
7.373 43.029 1.645 134727
6.470 42.991 1.646 201990
4.784 43.011 1.640 249952
1.809 43.013 1.642 1904514
1.642 43.002 1.642 2319736
1.058 43.084 1.640 142137
0.836 43.028 1.642 487371
0.629 43.033 1.641 394915
0.470 43.014 1.640 809654
4.804 41.999 3.029 578573
4.373 42.228 2.991 255217
3.163 42.289 2.987 186722
3.013 42.108 3.016 341149952
2.133 41.985 3.032 312419
1.905 42.055 3.031 706924
1.737 42.042 3.029 5888174
1.607 42.133 3.031 801172
1.456 42.056 3.028 1986064
-0.341 42.205 3.006 256765
-0.380 42.016 3.022 282786
7.170 41.980 2.818 227625
4.777 41.915 2.829 192829
4.004 42.039 2.819 244481
2.822 42.017 2.824 111136688
1.787 41.925 2.827 498795
1.470 42.027 2.817 3118474
0.880 42.026 2.813 256379
-0.536 41.711 2.816 147451
3.911 42.056 3.039 320111
8.832 41.839 3.035 112330
8.619 42.205 2.908 161347
8.088 42.443 2.892 163203
2.907 42.217 2.908 187411728
2.258 42.263 2.896 194019
1.492 42.212 2.909 5227322
1.180 42.261 2.909 3505997
0.842 42.253 2.901 1159686
-0.281 42.241 2.916 326634
1.421 26.617 1.705 1404906
0.617 26.595 1.698 203305
0.376 26.649 1.694 209044
1.843 26.610 1.422 818741
1.698 26.614 1.421 2872188
0.994 26.652 1.420 326789
1.695 40.267 2.747 175202
0.817 46.051 1.130 1066898
1.883 51.758 2.135 1575397
1.883 51.758 1.965 1493889
1.954 51.758 1.961 7831353
7.624 53.510 4.392 214065
7.178 27.712 1.207 402565
6.807 27.712 1.207 534170
1.665 34.726 1.659 3409249
3.708 24.582 0.855 712992
8.212 59.961 3.924 311519
1.975 32.839 4.306 1114982
0.926 23.541 0.173 1932401
7.631 20.330 1.567 922784
3.003 51.483 -0.529 163075
5.209 55.217 4.694 473775
0.872 17.923 1.292 1818056
0.790 17.923 1.294 1037993
7.168 17.923 1.292 568866
8.111 42.435 1.310 420190
8.523 43.440 1.757 668107
8.516 43.123 1.757 638677
1.766 58.774 4.077 2099839
8.036 57.808 4.239 256998
8.145 19.774 1.703 454871
0.807 47.061 3.823 320013
2.407 52.643 3.762 541705
1.764 31.578 1.767 5651046
1.141 21.735 0.375 564959
0.943 21.923 0.625 1836810
1.035 21.923 0.627 1138502
7.021 22.945 1.387 558755
1.866 24.832 1.444 1000922
1.866 24.832 1.457 974617
1.691 42.188 3.009 1064610
7.032 39.867 3.236 382108
7.032 39.867 3.098 396945
3.098 50.241 2.066 127401
6.833 22.074 1.130 1273712
6.833 22.652 0.931 500248
3.826 58.556 4.468 761489
3.731 58.556 4.468 721731
1.648 24.590 0.851 1249220
1.648 26.355 0.947 472461
8.563 38.316 3.027 977169
3.834 38.824 3.030 580552
7.158 42.952 1.755 115066
7.518 26.661 1.737 466927
3.345 27.403 1.765 583752
3.137 27.403 1.765 446134
3.018 42.609 2.450 189921
1.744 35.722 2.145 885635
9.090 41.476 1.990 100571
7.090 27.601 1.207 1156550
7.090 24.114 0.935 1143559
1.535 24.114 0.935 1669261
7.665 26.564 1.697 384876
0.768 25.568 1.228 179790
0.843 73.090 4.245 211284
0.954 73.090 4.245 1118194
8.687 55.878 4.589 1587581
4.707 55.186 5.213 454345
1.893 56.094 4.340 1043726
1.989 56.094 4.340 1332426
8.818 56.094 4.340 2566309
4.779 56.094 4.340 2200637
4.340 55.590 4.779 1633481
0.782 25.832 1.308 167421
0.534 25.832 1.308 370622
1.612 42.305 2.909 1582479
1.612 42.305 2.909 1582479
1.613 24.959 1.200 650756
8.302 29.738 1.947 384726
8.316 29.738 2.086 291168
8.387 56.348 4.365 1961041
1.866 24.832 1.444 1000922
1.866 24.832 1.457 974617
1.691 42.188 3.009 1064610
3.030 59.779 4.487 783976
2.968 59.779 4.487 810742
6.833 22.652 0.931 500248
3.826 58.556 4.468 761489
3.731 58.556 4.468 721731
5.099 58.556 4.468 559816
4.498 38.824 3.028 998882
7.158 42.952 1.755 115066
7.518 26.661 1.737 466927
3.345 27.403 1.765 583752
3.137 27.403 1.765 446134
1.744 35.722 2.145 885635
9.090 41.476 1.990 100571
1.744 41.380 3.018 185140
1.535 24.114 0.935 1669261
2.144 27.716 1.535 191763
7.665 26.564 1.427 356646
1.787 51.230 4.872 145689
4.872 25.568 1.787 121034
7.225 25.568 1.787 185072
0.843 73.090 4.245 211284
0.954 73.090 4.245 1118194
8.687 55.878 4.589 1587581
4.707 55.186 5.213 454345
1.893 56.094 4.340 1043726
1.989 56.094 4.340 1332426
4.779 56.094 4.340 2200637
1.893 33.940 2.306 1057028
8.349 34.079 2.390 880794
0.534 46.320 1.146 176663
1.612 42.305 2.909 1582479
8.353 34.257 2.395 491872
4.304 54.126 2.064 851412
4.301 54.126 1.969 829298
8.370 54.126 1.966 630627
8.646 54.126 2.059 318022
8.383 34.070 2.402 762770
8.577 34.070 2.398 238368
3.255 50.241 2.068 114005
1.863 26.564 1.703 657391
1.989 27.165 1.512 1018563
2.060 27.165 1.515 689558
1.539 27.165 1.528 5156338
3.432 27.165 1.508 243509
7.011 27.165 1.510 207431
;
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 H 1 indirect-H . 14 . . . 16560 1
2 C 13 'ali C' . 75 . . . 16560 1
3 H 1 ali-H . 14 . . . 16560 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
4 $SPARKY . . 16560 1
stop_
save_