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 34189
_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.Experiment_ID 3
_Spectral_peak_list.Experiment_name '3D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_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 text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
# FORMAT xeasy3D
# INAME 1 N
# INAME 2 H
# INAME 3 HN
# SPECTRUM N15NOESY N H HN
1 123.107 8.828 8.823 1 U 8.529E+08 0.000E+00 a 0 18 19 19
3 122.335 8.729 7.572 1 U 1.232E+08 0.000E+00 a 0 451 473 452
4 120.277 8.729 8.722 1 U 9.399E+08 0.000E+00 a 0 472 473 473
6 117.826 8.729 8.018 1 U 1.059E+08 0.000E+00 a 0 485 473 486
10 121.885 8.602 8.599 1 U 1.693E+09 0.000E+00 a 0 195 196 196
14 114.911 8.594 8.347 1 U 7.033E+07 0.000E+00 a 0 374 389 375
16 110.377 8.605 8.601 1 U 5.564E+08 0.000E+00 a 0 388 389 389
22 109.995 8.508 8.506 1 U 1.150E+09 0.000E+00 a 0 35 36 36
24 121.851 8.478 8.475 1 U 8.261E+08 0.000E+00 a 0 160 161 161
27 120.545 8.456 8.456 1 U 9.814E+08 0.000E+00 a 0 182 183 183
30 119.213 8.455 8.018 1 U 2.006E+08 0.000E+00 a 0 138 161 139
31 118.175 8.460 8.466 1 U 1.556E+09 0.000E+00 a 0 236 237 237
32 121.803 8.442 7.993 1 U 4.438E+07 0.000E+00 a 0 0 161 129
33 121.420 8.449 8.246 1 U 3.084E+08 0.000E+00 a 0 72 62 73
34 117.095 8.443 8.442 1 U 4.939E+08 0.000E+00 a 0 61 62 62
36 121.335 8.405 8.397 1 U 1.607E+09 0.000E+00 a 0 214 215 215
40 109.893 8.370 8.367 1 U 3.779E+09 0.000E+00 a 0 678 679 679
42 124.674 8.358 7.857 1 U 6.957E+07 0.000E+00 a 0 685 679 686
43 123.277 8.350 8.346 1 U 1.784E+09 0.000E+00 a 0 7 8 8
44 122.736 8.364 7.978 1 U 3.394E+08 0.000E+00 a 0 0 254 268
47 117.525 8.369 8.364 1 U 1.450E+09 0.000E+00 a 0 253 254 254
50 115.860 8.354 8.351 1 U 8.463E+08 0.000E+00 a 0 289 290 290
51 114.897 8.351 8.348 1 U 8.393E+08 0.000E+00 a 0 374 375 375
53 112.991 8.351 7.725 1 U 1.817E+08 0.000E+00 a 0 311 290 312
54 110.374 8.345 8.601 1 U 7.226E+07 0.000E+00 a 0 388 375 389
55 124.859 8.338 8.105 1 U 9.091E+07 0.000E+00 a 0 364 375 365
57 122.732 8.339 8.333 1 U 1.226E+09 0.000E+00 a 0 351 352 352
64 122.340 8.271 7.571 1 U 1.317E+08 0.000E+00 a 0 0 435 452
68 117.997 8.270 8.268 1 U 1.311E+09 0.000E+00 a 0 434 435 435
70 121.422 8.249 8.246 1 U 2.481E+09 0.000E+00 a 0 72 73 73
74 119.884 8.239 8.234 1 U 2.800E+09 0.000E+00 a 0 42 43 43
75 119.725 8.254 7.753 1 U 1.519E+08 0.000E+00 a 0 0 435 396
84 119.814 8.186 8.179 1 U 3.401E+09 0.000E+00 a 0 659 660 660
92 124.856 8.107 8.105 1 U 7.627E+08 0.000E+00 a 0 364 365 365
95 118.825 8.102 8.102 1 U 2.851E+09 0.000E+00 a 0 102 103 103
96 114.882 8.108 8.349 1 U 5.222E+07 0.000E+00 a 0 374 365 375
99 123.280 8.086 8.346 1 U 1.315E+08 0.000E+00 a 0 7 0 8
100 119.829 8.083 8.078 1 U 1.559E+09 0.000E+00 a 0 644 645 645
105 120.278 8.015 8.723 1 U 1.229E+08 0.000E+00 a 0 0 486 473
107 119.179 8.018 8.020 1 U 1.999E+09 0.000E+00 a 0 138 139 139
108 107.397 8.019 7.801 1 U 2.279E+08 0.000E+00 a 0 543 551 544
110 122.747 8.008 8.333 1 U 3.491E+07 0.000E+00 a 0 0 338 352
114 121.822 8.000 7.996 1 U 3.210E+09 0.000E+00 a 0 128 129 129
117 119.417 7.998 7.339 1 U 4.074E+07 0.000E+00 a 0 0 338 323
121 117.812 8.013 8.018 1 U 1.351E+09 0.000E+00 a 0 485 486 486
124 117.384 8.006 8.007 1 U 4.478E+08 0.000E+00 a 0 337 338 338
126 122.734 7.979 7.978 1 U 1.542E+09 0.000E+00 a 0 267 268 268
127 121.426 7.973 8.247 1 U 3.044E+08 0.000E+00 a 0 0 0 73
130 120.467 7.963 7.963 1 U 2.302E+09 0.000E+00 a 0 587 588 588
132 117.530 7.977 8.365 1 U 1.850E+08 0.000E+00 a 0 253 268 254
133 116.027 7.963 7.632 1 U 1.456E+08 0.000E+00 a 0 626 605 627
134 115.846 7.982 8.351 1 U 1.138E+08 0.000E+00 a 0 289 268 290
140 124.037 7.947 7.947 1 U 1.805E+09 0.000E+00 a 0 511 512 512
143 121.068 7.949 7.949 1 U 1.893E+09 0.000E+00 a 0 604 605 605
147 115.497 7.949 7.741 1 U 8.134E+07 0.000E+00 a 0 417 0 418
149 121.831 7.910 8.473 1 U 2.908E+07 0.000E+00 a 0 160 210 161
164 124.699 7.861 7.863 1 U 1.348E+10 0.000E+00 a 0 685 686 686
172 115.623 7.851 7.853 1 U 1.349E+09 0.000E+00 a 0 521 522 522
174 109.883 7.866 8.367 1 U 6.127E+07 0.000E+00 a 0 678 686 679
179 119.064 7.819 8.028 1 U 1.776E+08 0.000E+00 a 0 550 544 551
183 107.393 7.805 7.801 1 U 1.671E+09 0.000E+00 a 0 543 544 544
186 122.735 7.752 7.979 1 U 4.874E+07 0.000E+00 a 0 267 312 268
188 119.888 7.753 8.232 1 U 1.391E+08 0.000E+00 a 0 0 57 43
190 119.726 7.755 7.754 1 U 8.372E+08 0.000E+00 a 0 395 396 396
193 112.357 7.742 7.508 1 U 5.738E+07 0.000E+00 a 0 0 0 0
194 110.371 7.762 8.598 1 U 7.221E+07 0.000E+00 a 0 388 396 389
195 119.407 7.724 7.337 1 U 1.172E+08 0.000E+00 a 0 0 312 323
196 115.891 7.733 8.352 1 U 9.750E+07 0.000E+00 a 0 289 312 290
197 115.512 7.740 7.743 1 U 4.827E+08 0.000E+00 a 0 417 418 418
198 112.992 7.726 7.726 1 U 1.413E+09 0.000E+00 a 0 311 312 312
199 121.068 7.650 7.947 1 U 2.781E+08 0.000E+00 a 0 604 627 605
200 119.821 7.639 8.078 1 U 1.280E+08 0.000E+00 a 0 644 627 645
201 116.032 7.636 7.634 1 U 1.280E+09 0.000E+00 a 0 626 627 627
215 122.342 7.576 7.572 1 U 7.084E+08 0.000E+00 a 0 451 452 452
216 120.276 7.576 8.722 1 U 1.537E+08 0.000E+00 a 0 472 452 473
225 118.010 7.565 8.268 1 U 1.436E+08 0.000E+00 a 0 434 452 435
226 117.812 7.571 8.018 1 U 3.489E+07 0.000E+00 a 0 485 452 486
270 119.413 7.340 7.338 1 U 7.770E+08 0.000E+00 a 0 322 323 323
271 117.359 7.342 8.009 1 U 5.309E+07 0.000E+00 a 0 337 323 338
272 112.998 7.344 7.726 1 U 1.637E+08 0.000E+00 a 0 311 323 312
355 119.417 4.803 7.337 1 U 9.993E+07 0.000E+00 a 0 322 325 323
356 117.360 4.798 8.007 1 U 1.900E+08 0.000E+00 a 0 337 342 338
362 122.727 4.772 8.332 1 U 2.872E+08 0.000E+00 a 0 351 342 352
366 114.900 4.779 8.348 1 U 1.013E+08 0.000E+00 a 0 374 379 375
372 110.381 4.775 8.602 1 U 5.751E+07 0.000E+00 a 0 388 379 389
378 119.820 4.733 8.180 1 U 2.847E+08 0.000E+00 a 0 659 647 660
379 119.830 4.711 8.077 1 U 1.587E+08 0.000E+00 a 0 644 647 645
381 123.281 4.656 8.347 1 U 1.951E+08 0.000E+00 a 0 7 10 8
382 124.856 4.649 8.105 1 U 1.385E+08 0.000E+00 a 0 364 354 365
386 123.117 4.546 8.824 1 U 8.875E+07 0.000E+00 a 0 18 0 19
389 121.421 4.503 8.246 1 U 2.169E+08 0.000E+00 a 0 72 75 73
390 120.456 4.501 7.962 1 U 8.018E+07 0.000E+00 a 0 587 574 588
391 118.171 4.497 8.466 1 U 8.989E+07 0.000E+00 a 0 236 0 237
393 122.724 4.630 8.333 1 U 2.771E+08 0.000E+00 a 0 351 354 352
394 119.736 4.409 7.752 1 U 6.939E+07 0.000E+00 a 0 395 398 396
395 117.094 4.415 8.442 1 U 2.429E+08 0.000E+00 a 0 61 64 62
396 122.348 4.397 7.573 1 U 3.965E+07 0.000E+00 a 0 451 398 452
397 119.893 4.404 8.236 1 U 1.585E+08 0.000E+00 a 0 42 45 43
398 121.855 4.365 8.476 1 U 5.733E+07 0.000E+00 a 0 160 163 161
402 123.098 4.321 8.827 1 U 4.072E+07 0.000E+00 a 0 18 21 19
403 119.807 4.321 8.179 1 U 1.831E+08 0.000E+00 a 0 659 662 660
404 118.175 4.297 8.465 1 U 1.830E+08 0.000E+00 a 0 236 239 237
406 109.897 4.320 8.366 1 U 1.841E+08 0.000E+00 a 0 678 662 679
408 115.627 4.267 7.853 1 U 1.539E+08 0.000E+00 a 0 521 524 522
409 112.993 4.277 7.726 1 U 1.810E+08 0.000E+00 a 0 311 314 312
410 124.867 4.257 8.102 1 U 8.326E+07 0.000E+00 a 0 364 367 365
411 123.278 4.259 8.346 1 U 4.303E+08 0.000E+00 a 0 7 14 8
412 120.281 4.246 8.722 1 U 1.263E+08 0.000E+00 a 0 472 475 473
413 119.416 4.247 7.343 1 U 5.542E+07 0.000E+00 a 0 322 314 323
414 117.364 4.250 8.006 1 U 1.246E+08 0.000E+00 a 0 337 340 338
415 115.857 4.240 8.352 1 U 6.076E+07 0.000E+00 a 0 289 0 290
416 114.897 4.252 8.349 1 U 3.397E+08 0.000E+00 a 0 374 377 375
419 107.394 4.248 7.800 1 U 1.137E+08 0.000E+00 a 0 543 524 544
420 121.821 4.226 7.996 1 U 2.657E+08 0.000E+00 a 0 128 131 129
421 121.418 4.226 8.247 1 U 1.262E+08 0.000E+00 a 0 72 0 73
422 119.751 4.232 7.757 1 U 6.179E+07 0.000E+00 a 0 395 377 396
424 117.526 4.237 8.365 1 U 3.195E+08 0.000E+00 a 0 253 258 254
426 119.907 4.207 8.232 1 U 1.314E+08 0.000E+00 a 0 42 0 43
430 124.685 4.176 7.860 1 U 1.116E+08 0.000E+00 a 0 685 688 686
431 122.736 4.184 7.978 1 U 3.002E+08 0.000E+00 a 0 267 270 268
432 121.068 4.165 7.949 1 U 2.771E+08 0.000E+00 a 0 604 607 605
433 116.034 4.176 7.635 1 U 8.932E+07 0.000E+00 a 0 626 607 627
434 124.034 4.144 7.947 1 U 1.931E+08 0.000E+00 a 0 511 514 512
437 121.862 4.143 8.475 1 U 1.185E+08 0.000E+00 a 0 160 0 161
438 115.509 4.143 7.743 1 U 6.696E+07 0.000E+00 a 0 417 420 418
439 122.317 4.082 7.570 1 U 5.148E+07 0.000E+00 a 0 451 437 452
443 117.986 4.081 8.269 1 U 1.424E+08 0.000E+00 a 0 434 437 435
444 117.809 4.099 8.018 1 U 9.672E+07 0.000E+00 a 0 485 437 486
445 120.464 4.065 7.963 1 U 3.454E+08 0.000E+00 a 0 587 590 588
449 121.427 4.015 8.246 1 U 1.504E+08 0.000E+00 a 0 72 0 73
450 121.335 4.009 8.397 1 U 3.098E+08 0.000E+00 a 0 214 217 215
451 120.542 4.004 8.455 1 U 1.787E+08 0.000E+00 a 0 182 185 183
452 119.726 4.020 7.755 1 U 8.212E+07 0.000E+00 a 0 395 393 396
453 119.174 4.020 8.021 1 U 2.265E+08 0.000E+00 a 0 138 141 139
455 115.862 4.004 8.352 1 U 1.085E+08 0.000E+00 a 0 289 292 290
456 110.373 4.010 8.600 1 U 2.332E+08 0.000E+00 a 0 388 393 389
457 107.905 4.007 7.823 1 U 7.756E+07 0.000E+00 a 0 0 0 0
458 119.903 3.977 8.234 1 U 2.499E+08 0.000E+00 a 0 42 40 43
459 119.859 3.975 8.180 1 U 4.842E+07 0.000E+00 a 0 0 0 0
460 119.838 3.990 8.078 1 U 1.282E+08 0.000E+00 a 0 644 629 645
462 116.031 3.985 7.634 1 U 9.648E+07 0.000E+00 a 0 626 629 627
463 109.996 3.974 8.506 1 U 1.885E+08 0.000E+00 a 0 35 40 36
465 107.393 3.981 7.801 1 U 5.385E+08 0.000E+00 a 0 543 548 544
466 124.691 3.956 7.862 1 U 2.048E+08 0.000E+00 a 0 685 683 686
467 121.819 3.963 7.995 1 U 1.593E+08 0.000E+00 a 0 128 105 129
469 118.827 3.950 8.102 1 U 3.375E+08 0.000E+00 a 0 102 105 103
470 115.617 3.955 7.852 1 U 6.398E+07 0.000E+00 a 0 521 488 522
471 110.252 3.951 8.451 1 U 6.623E+07 0.000E+00 a 0 0 0 0
472 109.894 3.957 8.369 1 U 4.476E+08 0.000E+00 a 0 678 683 679
473 124.025 3.932 7.948 1 U 6.738E+07 0.000E+00 a 0 511 488 512
474 117.814 3.931 8.017 1 U 1.422E+08 0.000E+00 a 0 485 488 486
476 121.882 3.905 8.599 1 U 2.154E+08 0.000E+00 a 0 195 198 196
477 117.099 3.899 8.442 1 U 1.107E+08 0.000E+00 a 0 61 68 62
478 115.517 3.851 7.746 1 U 5.047E+07 0.000E+00 a 0 417 0 418
479 121.068 3.807 7.949 1 U 7.530E+07 0.000E+00 a 0 604 553 605
480 119.376 3.803 7.344 1 U 3.449E+07 0.000E+00 a 0 0 0 0
481 112.989 3.802 7.725 1 U 2.172E+08 0.000E+00 a 0 311 316 312
482 122.743 3.769 7.977 1 U 5.635E+07 0.000E+00 a 0 267 256 268
483 120.552 3.751 8.113 1 U 2.691E+07 0.000E+00 a 0 0 0 0
484 117.526 3.764 8.366 1 U 1.470E+08 0.000E+00 a 0 253 256 254
486 124.032 3.632 7.947 1 U 7.946E+07 0.000E+00 a 0 511 454 512
487 122.353 3.630 7.569 1 U 6.857E+07 0.000E+00 a 0 451 454 452
488 120.283 3.631 8.723 1 U 4.163E+07 0.000E+00 a 0 472 454 473
489 117.814 3.630 8.020 1 U 2.990E+07 0.000E+00 a 0 485 454 486
490 119.023 3.523 8.029 1 U 8.795E+07 0.000E+00 a 0 550 584 551
491 107.392 3.509 7.803 1 U 4.219E+07 0.000E+00 a 0 543 584 544
492 121.358 3.376 8.399 1 U 3.101E+07 0.000E+00 a 0 214 243 215
494 117.528 3.385 8.364 1 U 2.133E+08 0.000E+00 a 0 253 243 254
497 119.042 3.246 8.030 1 U 8.227E+07 0.000E+00 a 0 550 583 551
498 118.808 3.223 8.102 1 U 4.221E+07 0.000E+00 a 0 102 115 103
499 117.810 3.126 8.018 1 U 1.400E+08 0.000E+00 a 0 485 500 486
500 120.277 3.117 8.723 1 U 1.278E+08 0.000E+00 a 0 472 478 473
503 119.416 2.971 7.338 1 U 1.091E+08 0.000E+00 a 0 322 327 323
506 121.422 2.834 8.246 1 U 4.669E+08 0.000E+00 a 0 72 77 73
508 119.422 2.823 7.337 1 U 1.435E+08 0.000E+00 a 0 322 328 323
510 119.811 2.792 8.178 1 U 6.307E+07 0.000E+00 a 0 659 649 660
511 119.824 2.779 8.074 1 U 1.657E+08 0.000E+00 a 0 644 649 645
516 118.831 2.767 8.102 1 U 4.714E+07 0.000E+00 a 0 102 0 103
519 124.856 2.751 8.107 1 U 7.046E+07 0.000E+00 a 0 364 358 365
520 123.278 2.753 8.346 1 U 3.617E+08 0.000E+00 a 0 7 0 8
521 122.731 2.756 8.333 1 U 2.929E+08 0.000E+00 a 0 351 358 352
522 121.890 2.757 8.599 1 U 2.082E+08 0.000E+00 a 0 195 0 196
523 119.181 2.730 8.018 1 U 3.075E+07 0.000E+00 a 0 138 0 139
526 120.464 2.671 7.963 1 U 3.308E+08 0.000E+00 a 0 587 596 588
532 119.815 2.400 8.178 1 U 1.271E+08 0.000E+00 a 0 659 668 660
534 109.904 2.401 8.368 1 U 2.995E+07 0.000E+00 a 0 678 668 679
535 120.278 2.375 8.721 1 U 9.984E+07 0.000E+00 a 0 472 477 473
536 119.890 2.374 8.232 1 U 1.624E+08 0.000E+00 a 0 42 51 43
537 117.996 2.368 8.267 1 U 2.125E+08 0.000E+00 a 0 434 445 435
538 117.820 2.371 8.016 1 U 9.684E+07 0.000E+00 a 0 485 477 486
543 121.410 2.331 8.247 1 U 5.233E+07 0.000E+00 a 0 72 94 73
544 120.465 2.341 7.963 1 U 4.879E+08 0.000E+00 a 0 587 592 588
547 124.684 2.271 7.861 1 U 5.862E+07 0.000E+00 a 0 685 696 686
550 121.334 2.201 8.396 1 U 3.288E+08 0.000E+00 a 0 214 219 215
551 118.176 2.205 8.466 1 U 1.595E+08 0.000E+00 a 0 236 219 237
552 109.913 2.191 8.369 1 U 3.334E+07 0.000E+00 a 0 678 0 679
556 120.467 2.173 7.964 1 U 2.448E+08 0.000E+00 a 0 587 593 588
557 120.275 2.168 8.722 1 U 1.814E+08 0.000E+00 a 0 472 0 473
559 115.505 2.170 7.737 1 U 5.098E+07 0.000E+00 a 0 417 428 418
561 122.343 2.153 7.572 1 U 2.348E+08 0.000E+00 a 0 451 456 452
562 119.890 2.138 8.235 1 U 3.217E+08 0.000E+00 a 0 42 47 43
565 117.086 2.129 8.445 1 U 3.851E+07 0.000E+00 a 0 61 47 62
568 119.818 2.089 8.078 1 U 9.634E+07 0.000E+00 a 0 644 631 645
569 117.999 2.099 8.268 1 U 3.073E+08 0.000E+00 a 0 434 439 435
570 116.029 2.088 7.633 1 U 1.232E+08 0.000E+00 a 0 626 631 627
571 121.885 2.076 8.599 1 U 5.045E+08 0.000E+00 a 0 195 202 196
573 119.812 2.033 8.179 1 U 2.303E+08 0.000E+00 a 0 659 664 660
575 109.905 2.033 8.366 1 U 3.408E+07 0.000E+00 a 0 678 664 679
576 121.069 2.001 7.950 1 U 1.499E+08 0.000E+00 a 0 604 0 605
577 115.510 1.999 7.742 1 U 1.127E+08 0.000E+00 a 0 417 424 418
578 123.106 1.991 8.825 1 U 4.772E+07 0.000E+00 a 0 18 25 19
581 121.854 1.959 8.473 1 U 5.051E+07 0.000E+00 a 0 160 165 161
582 124.699 1.927 7.862 1 U 1.322E+08 0.000E+00 a 0 685 692 686
583 121.823 1.928 7.996 1 U 3.641E+08 0.000E+00 a 0 128 107 129
584 118.826 1.933 8.102 1 U 6.938E+08 0.000E+00 a 0 102 107 103
586 124.032 1.905 7.947 1 U 2.365E+08 0.000E+00 a 0 511 492 512
587 122.989 1.912 7.748 1 U 5.631E+07 0.000E+00 a 0 0 0 0
588 121.425 1.893 8.246 1 U 1.718E+08 0.000E+00 a 0 72 0 73
589 120.542 1.899 8.456 1 U 2.552E+08 0.000E+00 a 0 182 187 183
590 117.813 1.909 8.018 1 U 4.535E+08 0.000E+00 a 0 485 492 486
593 118.171 1.815 8.466 1 U 3.539E+07 0.000E+00 a 0 236 296 237
594 117.525 1.754 8.364 1 U 4.080E+07 0.000E+00 a 0 253 272 254
596 115.625 1.820 7.853 1 U 3.393E+08 0.000E+00 a 0 521 528 522
597 107.394 1.806 7.802 1 U 1.012E+08 0.000E+00 a 0 543 528 544
598 115.861 1.804 8.351 1 U 3.297E+08 0.000E+00 a 0 289 296 290
599 112.990 1.788 7.726 1 U 1.056E+08 0.000E+00 a 0 311 296 312
600 121.071 1.751 7.949 1 U 3.724E+08 0.000E+00 a 0 604 611 605
601 119.890 1.761 8.235 1 U 6.746E+07 0.000E+00 a 0 42 91 43
602 119.137 1.770 8.023 1 U 4.189E+08 0.000E+00 a 0 138 145 139
603 116.030 1.763 7.632 1 U 6.745E+07 0.000E+00 a 0 626 611 627
604 122.731 1.747 7.978 1 U 4.352E+08 0.000E+00 a 0 267 272 268
605 119.724 1.735 7.754 1 U 1.991E+08 0.000E+00 a 0 395 402 396
606 122.339 1.718 7.571 1 U 1.371E+08 0.000E+00 a 0 451 465 452
608 121.822 1.701 7.996 1 U 1.498E+08 0.000E+00 a 0 128 111 129
610 120.536 1.705 8.455 1 U 1.861E+08 0.000E+00 a 0 182 111 183
611 120.276 1.715 8.723 1 U 6.701E+07 0.000E+00 a 0 472 465 473
612 118.825 1.708 8.102 1 U 2.305E+08 0.000E+00 a 0 102 111 103
613 118.001 1.709 8.266 1 U 3.437E+07 0.000E+00 a 0 434 465 435
614 115.519 1.716 7.745 1 U 4.879E+07 0.000E+00 a 0 417 402 418
616 121.867 1.620 8.476 1 U 9.527E+07 0.000E+00 a 0 160 169 161
617 120.529 1.590 8.114 1 U 8.732E+07 0.000E+00 a 0 0 0 0
618 117.804 1.610 8.019 1 U 1.122E+08 0.000E+00 a 0 485 496 486
620 116.048 1.597 7.635 1 U 5.570E+07 0.000E+00 a 0 626 613 627
621 107.388 1.611 7.801 1 U 8.963E+07 0.000E+00 a 0 543 530 544
623 115.623 1.577 7.854 1 U 2.715E+08 0.000E+00 a 0 521 530 522
625 124.035 1.557 7.947 1 U 4.464E+08 0.000E+00 a 0 511 515 512
627 122.715 1.517 8.333 1 U 6.970E+07 0.000E+00 a 0 351 0 352
629 121.822 1.511 7.996 1 U 6.803E+08 0.000E+00 a 0 128 132 129
630 119.202 1.514 8.018 1 U 2.549E+08 0.000E+00 a 0 138 147 139
633 121.334 1.493 8.396 1 U 2.778E+08 0.000E+00 a 0 214 223 215
634 120.465 1.504 7.964 1 U 7.772E+07 0.000E+00 a 0 587 0 588
635 118.838 1.503 8.101 1 U 6.795E+07 0.000E+00 a 0 102 132 103
636 118.171 1.497 8.466 1 U 1.228E+08 0.000E+00 a 0 236 223 237
637 121.428 1.474 8.247 1 U 1.593E+08 0.000E+00 a 0 72 0 73
638 120.537 1.465 8.456 1 U 1.554E+08 0.000E+00 a 0 182 188 183
639 124.861 1.434 8.104 1 U 1.763E+08 0.000E+00 a 0 364 368 365
640 114.913 1.434 8.347 1 U 1.011E+08 0.000E+00 a 0 374 368 375
643 114.911 1.296 8.349 1 U 9.769E+07 0.000E+00 a 0 374 380 375
644 110.370 1.289 8.599 1 U 4.266E+07 0.000E+00 a 0 388 380 389
645 123.272 1.270 8.344 1 U 1.374E+08 0.000E+00 a 0 7 0 8
648 117.365 1.270 8.005 1 U 6.790E+07 0.000E+00 a 0 337 343 338
650 122.744 1.225 7.975 1 U 8.726E+07 0.000E+00 a 0 267 259 268
651 119.075 1.210 8.026 1 U 1.264E+08 0.000E+00 a 0 550 564 551
652 117.520 1.224 8.364 1 U 9.409E+07 0.000E+00 a 0 253 259 254
656 107.389 1.175 7.802 1 U 2.739E+07 0.000E+00 a 0 543 564 544
657 115.882 1.144 8.350 1 U 7.141E+07 0.000E+00 a 0 289 298 290
658 122.333 1.041 7.571 1 U 8.283E+07 0.000E+00 a 0 451 457 452
662 119.890 0.912 8.230 1 U 3.707E+07 0.000E+00 a 0 42 0 43
663 119.719 0.930 7.752 1 U 9.195E+07 0.000E+00 a 0 395 415 396
664 112.969 0.915 7.722 1 U 3.592E+07 0.000E+00 a 0 311 299 312
665 112.826 0.903 7.626 1 U 4.109E+07 0.000E+00 a 0 0 0 0
666 122.731 0.887 7.980 1 U 1.337E+08 0.000E+00 a 0 267 287 268
667 122.339 0.885 7.571 1 U 1.075E+08 0.000E+00 a 0 451 466 452
668 121.867 0.881 8.476 1 U 3.787E+07 0.000E+00 a 0 160 180 161
673 117.543 0.879 8.365 1 U 4.183E+07 0.000E+00 a 0 253 0 254
674 116.034 0.897 7.632 1 U 2.275E+08 0.000E+00 a 0 626 642 627
675 115.858 0.880 8.352 1 U 8.777E+07 0.000E+00 a 0 289 299 290
676 121.899 0.870 8.599 1 U 4.449E+07 0.000E+00 a 0 0 0 0
677 121.827 0.852 7.994 1 U 5.256E+07 0.000E+00 a 0 128 0 129
678 121.335 0.852 8.397 1 U 3.549E+08 0.000E+00 a 0 214 234 215
679 121.063 0.858 7.949 1 U 1.388E+08 0.000E+00 a 0 604 624 605
680 120.539 0.855 8.455 1 U 2.106E+08 0.000E+00 a 0 182 180 183
682 119.206 0.849 8.018 1 U 2.437E+08 0.000E+00 a 0 138 0 139
683 118.833 0.862 8.101 1 U 6.000E+07 0.000E+00 a 0 550 0 103
684 118.172 0.855 8.466 1 U 1.396E+08 0.000E+00 a 0 236 180 237
686 121.421 0.847 8.247 1 U 1.084E+08 0.000E+00 a 0 72 0 73
690 124.033 0.789 7.948 1 U 6.603E+07 0.000E+00 a 0 511 541 512
691 120.273 0.774 8.722 1 U 1.061E+08 0.000E+00 a 0 472 0 473
692 117.809 0.785 8.017 1 U 3.357E+07 0.000E+00 a 0 485 0 486
694 115.620 0.762 7.853 1 U 1.988E+08 0.000E+00 a 0 521 541 522
695 107.419 0.763 7.800 1 U 6.778E+07 0.000E+00 a 0 543 541 544
696 115.865 0.627 8.349 1 U 8.930E+07 0.000E+00 a 0 289 300 290
697 113.003 0.610 7.721 1 U 3.412E+07 0.000E+00 a 0 311 300 312
700 112.970 1.181 7.726 1 U 4.761E+07 0.000E+00 a 0 311 298 312
701 116.032 8.078 7.634 1 U 9.855E+07 0.000E+00 a 0 626 645 627
705 122.352 0.778 7.572 1 U 9.110E+07 0.000E+00 a 0 451 0 452
708 121.790 3.247 7.991 1 U 2.234E+07 0.000E+00 a 0 128 115 129
709 121.091 1.573 7.944 1 U 1.496E+08 0.000E+00 a 0 604 613 605
712 120.470 2.848 7.963 1 U 2.204E+08 0.000E+00 a 0 587 597 588
714 119.833 4.181 8.076 1 U 5.019E+07 0.000E+00 a 0 644 607 645
715 118.830 2.095 8.102 1 U 2.929E+08 0.000E+00 a 0 102 0 103
716 119.813 3.976 8.180 1 U 4.673E+07 0.000E+00 a 0 659 629 660
717 119.813 1.738 8.180 1 U 2.524E+07 0.000E+00 a 0 659 611 660
718 119.890 2.012 8.235 1 U 2.023E+08 0.000E+00 a 0 42 48 43
721 117.997 0.899 8.265 1 U 2.314E+07 0.000E+00 a 0 434 466 435
727 118.206 7.048 8.464 1 U 2.174E+07 0.000E+00 a 0 236 250 237
730 118.169 3.387 8.462 1 U 4.419E+08 0.000E+00 a 0 236 243 237
731 117.110 2.007 8.445 1 U 3.355E+07 0.000E+00 a 0 61 48 62
733 120.300 7.093 8.717 1 U 1.949E+07 0.000E+00 a 0 472 0 473
734 120.277 0.934 8.724 1 U 4.529E+07 0.000E+00 a 0 472 466 473
740 123.120 3.928 8.821 1 U 1.910E+07 0.000E+00 a 0 18 40 19
741 123.120 2.300 8.824 1 U 1.805E+07 0.000E+00 a 0 18 29 19
748 121.840 2.208 8.478 1 U 2.576E+07 0.000E+00 a 0 160 219 161
753 119.074 8.031 8.031 1 U 1.496E+09 0.000E+00 a 0 550 551 551
755 119.111 0.835 8.024 1 U 2.003E+08 0.000E+00 a 0 550 624 551
756 119.824 2.871 8.076 1 U 1.322E+08 0.000E+00 a 0 644 650 645
757 122.724 0.864 8.333 1 U 2.386E+07 0.000E+00 a 0 351 0 352
758 122.724 4.464 8.328 1 U 2.598E+08 0.000E+00 a 0 351 0 352
760 118.171 7.973 8.466 1 U 3.858E+07 0.000E+00 a 0 0 268 237
761 121.335 7.968 8.399 1 U 2.011E+08 0.000E+00 a 0 0 0 215
763 117.384 2.849 8.012 1 U 2.621E+07 0.000E+00 a 0 337 328 338
765 122.747 3.899 8.335 1 U 1.210E+08 0.000E+00 a 0 0 0 352
766 114.811 2.729 8.356 1 U 2.346E+07 0.000E+00 a 0 374 358 375
767 117.812 4.220 8.020 1 U 8.712E+07 0.000E+00 a 0 485 475 486
;
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 . . 10 ppm . . . 4.7 . . 34189 1
2 . . H 1 H . . 10 ppm . . . 4.7 . . 34189 1
3 . . C 13 H . . 75 ppm . . . 40 . . 34189 1
stop_
save_