Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 34261
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 17
_Spectral_peak_list.Experiment_name '13C,15N filtered, 13C edited (aliph.) 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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 HC
#INAME 3 C
#SPECTRUM C13NOESY H HC C
445 2.898 0.842 21.067 3 U 4.078E+03 0.000E+00 a 0 3175 3339 3340 #QU 0.434 #SUP 0.43
448 1.940 0.846 21.039 4 U 6.398E+04 0.000E+00 a 0 0 0 0
454 7.290 0.864 21.248 4 U 3.994E+03 0.000E+00 a 0 0 0 0
473 1.947 1.020 22.319 4 U 1.751E+04 0.000E+00 a 0 0 0 0
476 6.883 1.022 22.402 3 U 9.227E+03 0.000E+00 a 0 4016 3338 3341 #QU 0.853 #SUP 0.85
482 1.390 1.907 36.655 4 U 2.418E+04 0.000E+00 a 0 0 0 0
483 0.693 1.965 37.073 3 U 6.857E+03 0.000E+00 a 0 3286 3328 2496 #QU 0.309 #SUP 0.31
484 0.694 1.927 37.037 4 U 5.459E+03 0.000E+00 a 0 0 0 0
486 3.838 1.916 36.721 4 U 2.164E+04 0.000E+00 a 0 0 0 0
577 0.729 1.485 28.461 3 U 1.766E+04 0.000E+00 a 0 3249 3250 3245 #VC 0.36106 #QU 0.815 #SUP 0.97
3368 3369 3371 #VC 0.13662 #QU 0.308 #SUP 0.97
3374 3369 3371 #VC 0.14198 #QU 0.320 #SUP 0.97
4311 3250 3245 #VC 0.36034 #QU 0.641 #SUP 0.97
599 0.855 0.469 25.969 4 U 1.011E+04 0.000E+00 a 0 0 0 0
604 6.313 0.912 22.267 4 U 6.940E+03 0.000E+00 a 0 0 0 0
613 1.765 2.441 33.989 4 U 5.640E+03 0.000E+00 a 0 0 0 0
629 2.353 0.983 21.006 4 U 4.755E+03 0.000E+00 a 0 0 0 0
631 6.259 0.941 21.118 4 U 6.457E+03 0.000E+00 a 0 0 0 0
656 4.003 0.850 24.744 4 U 6.116E+03 0.000E+00 a 0 0 0 0
658 2.604 0.855 24.733 4 U 4.465E+03 0.000E+00 a 0 0 0 0 #QU 0.190
659 6.578 0.860 24.757 3 U 1.854E+04 0.000E+00 a 0 4191 3617 3615 #QU 0.681 #SUP 0.68
702 1.675 2.952 42.495 3 U 9.877E+03 0.000E+00 a 0 3517 3516 3518 #VC 0.22394 #QU 0.712 #SUP 0.99
4351 4346 4323 #VC 0.19901 #QU 0.633 #SUP 0.99
4200 4345 4344 #VC 0.24556 #QU 0.781 #SUP 0.99
4350 4345 4344 #VC 0.17021 #QU 0.541 #SUP 0.99
4035 4348 4347 #VC 0.16129 #QU 0.513 #SUP 0.99
715 1.691 0.684 17.567 3 U 1.454E+04 0.000E+00 a 0 3200 3201 3231 #VC 0.48917 #QU 0.729 #SUP 0.94
3589 3201 3231 #VC 0.51083 #QU 0.761 #SUP 0.94
716 1.303 0.688 17.440 4 U 5.292E+03 0.000E+00 a 0 0 0 0
717 9.283 0.683 17.562 3 U 8.532E+03 0.000E+00 a 0 107 3201 3231 #QU 0.677 #SUP 0.68
781 1.579 1.961 33.974 4 U 4.912E+03 0.000E+00 a 0 0 0 0 #QU 0.007
783 1.553 1.896 33.933 4 U 3.879E+03 0.000E+00 a 0 0 0 0
784 6.928 1.938 34.015 4 U 4.040E+03 0.000E+00 a 0 0 0 0
791 0.703 2.369 37.073 3 U 1.146E+04 0.000E+00 a 0 4311 3361 3693 #QU 0.753 #SUP 0.75
841 1.680 2.053 32.800 3 U 1.182E+04 0.000E+00 a 0 3227 3226 2986 #VC 0.57299 #QU 0.950 #SUP 0.99
4210 4209 4303 #VC 0.42701 #QU 0.708 #SUP 0.99
842 0.742 2.062 32.837 4 U 2.379E+04 0.000E+00 a 0 0 0 0
844 3.456 2.051 32.753 3 U 5.878E+03 0.000E+00 a 0 4335 4209 4303 #QU 0.525 #SUP 0.53
846 2.596 0.616 21.040 3 U 2.415E+04 0.000E+00 a 0 4102 3266 3268 #QU 0.799 #SUP 0.80
847 1.938 0.616 21.041 4 U 7.551E+04 0.000E+00 a 0 0 0 0
850 6.894 0.619 21.052 3 U 9.060E+03 0.000E+00 a 0 4016 3266 3268 #QU 0.812 #SUP 0.81
851 6.583 0.619 21.070 3 U 1.178E+04 0.000E+00 a 0 4191 3266 3268 #QU 0.902 #SUP 0.90
872 1.932 0.742 21.256 3 U 1.129E+04 0.000E+00 a 0 4046 4047 4288 #QU 0.509 #SUP 0.51
877 1.781 2.260 33.974 4 U 6.670E+03 0.000E+00 a 0 0 0 0
901 1.689 0.750 20.975 3 U 6.540E+03 0.000E+00 a 0 3212 3214 3216 #QU 0.622 #SUP 0.62
906 6.904 0.788 20.957 4 U 4.807E+03 0.000E+00 a 0 0 0 0
907 5.001 0.788 21.075 3 U 1.908E+04 0.000E+00 a 0 3717 3285 3283 #QU 0.704 #SUP 0.70
924 1.926 1.125 21.351 3 U 8.221E+03 0.000E+00 a 0 3344 3335 3343 #QU 0.640 #SUP 0.64
931 7.787 1.949 28.447 4 U 4.765E+03 0.000E+00 a 0 0 0 0
932 1.352 1.691 33.188 3 U 4.734E+03 0.000E+00 a 0 4034 4035 4257 #QU 0.228 #SUP 0.23
943 3.016 1.695 29.559 4 U 5.279E+03 0.000E+00 a 0 0 0 0
945 0.807 1.731 28.438 3 U 1.939E+04 0.000E+00 a 0 4316 3589 3230 #VC 0.62185 #QU 0.800 #SUP 0.85
4066 3589 3230 #VC 0.37815 #QU 0.268 #SUP 0.85
951 1.920 0.797 21.062 3 U 1.723E+04 0.000E+00 a 0 3284 3285 3283 #QU 0.711 #SUP 0.71
955 1.847 3.106 41.138 4 U 3.978E+03 0.000E+00 a 0 0 0 0
959 8.604 3.104 41.483 4 U 4.917E+03 0.000E+00 a 0 0 0 0
960 7.656 3.038 41.593 4 U 5.309E+03 0.000E+00 a 0 0 0 0
963 5.014 3.092 41.570 3 U 4.589E+03 0.000E+00 a 0 3717 3172 2418 #QU 0.628 #SUP 0.63
1023 0.744 1.724 39.079 3 U 2.180E+04 0.000E+00 a 0 3588 3200 2453 #VC 0.38253 #QU 0.925 #SUP 0.98
3374 3200 2453 #VC 0.12271 #QU 0.221 #SUP 0.98
4311 3200 2453 #VC 0.34215 #QU 0.587 #SUP 0.98
4311 4064 4270 #VC 0.15260 #QU 0.369 #SUP 0.98
1024 9.285 1.722 38.762 3 U 5.819E+03 0.000E+00 a 0 107 3200 2453 #VC 0.53644 #QU 0.578 #SUP 0.70
4050 3200 2453 #VC 0.46356 #QU 0.278 #SUP 0.70
1070 1.352 2.226 31.534 4 U 5.278E+03 0.000E+00 a 0 0 0 0
1130 6.291 0.922 20.486 4 U 1.146E+04 0.000E+00 a 0 0 0 0
1135 3.451 2.078 32.975 3 U 6.336E+03 0.000E+00 a 0 4335 4209 4303 #QU 0.535 #SUP 0.53
1136 6.888 2.096 33.016 4 U 1.630E+04 0.000E+00 a 0 0 0 0
1138 0.307 4.084 68.523 4 U 4.528E+03 0.000E+00 a 0 0 0 0
1143 6.573 4.175 68.427 4 U 4.349E+03 0.000E+00 a 0 0 0 0
1194 1.327 2.057 32.528 4 U 4.423E+03 0.000E+00 a 0 0 0 0
1195 4.997 2.102 32.967 4 U 9.063E+03 0.000E+00 a 0 0 0 0
1197 2.901 0.406 14.470 4 U 8.218E+03 0.000E+00 a 0 0 0 0
1198 2.529 0.416 14.490 3 U 1.012E+04 0.000E+00 a 0 4179 3248 3244 #QU 0.482 #SUP 0.48
1199 1.977 0.408 14.465 4 U 5.072E+03 0.000E+00 a 0 0 0 0
1201 1.719 0.413 14.592 3 U 8.349E+03 0.000E+00 a 0 3200 3248 3244 #VC 0.62988 #QU 0.516 #SUP 0.78
4064 3248 3244 #VC 0.37012 #QU 0.536 #SUP 0.78
1203 0.743 0.408 14.489 3 U 7.559E+04 0.000E+00 a 0 3249 3248 3244 #VC 0.45566 #QU 0.671 #SUP 0.89
4311 3248 3244 #VC 0.54434 #QU 0.661 #SUP 0.89
1205 9.042 0.409 14.649 3 U 5.978E+03 0.000E+00 a 0 4013 3248 3244 #VC 0.56204 #QU 0.559 #SUP 0.75
4079 3248 3244 #VC 0.43796 #QU 0.436 #SUP 0.75
1206 6.887 0.409 14.463 3 U 1.846E+04 0.000E+00 a 0 4016 3248 3244 #QU 0.944 #SUP 0.94
1207 6.627 0.405 14.362 3 U 4.540E+03 0.000E+00 a 0 3710 3248 3244 #QU 0.562 #SUP 0.56
1208 5.797 0.407 14.566 3 U 1.133E+04 0.000E+00 a 0 4015 3248 3244 #QU 0.732 #SUP 0.73
1210 0.693 2.167 28.191 3 U 8.984E+03 0.000E+00 a 0 4314 3360 2717 #QU 0.222 #SUP 0.22
1223 3.405 2.145 33.062 4 U 3.962E+03 0.000E+00 a 0 0 0 0
1224 6.572 2.102 33.085 3 U 1.739E+04 0.000E+00 a 0 4191 3337 2487 #QU 0.610 #SUP 0.61
1225 5.017 2.146 32.990 4 U 6.160E+03 0.000E+00 a 0 0 0 0
1272 1.713 0.777 17.784 4 U 7.898E+03 0.000E+00 a 0 0 0 0
1273 1.523 0.776 17.944 4 U 2.154E+04 0.000E+00 a 0 0 0 0
1392 0.741 1.671 32.694 3 U 2.424E+04 0.000E+00 a 0 4047 3227 2986 #QU 0.589 #SUP 0.59
1394 2.019 1.674 32.777 3 U 1.718E+04 0.000E+00 a 0 3226 3227 2986 #QU 0.723 #SUP 0.72
1456 1.232 1.682 34.471 4 U 8.331E+03 0.000E+00 a 0 0 0 0
1457 0.971 1.682 34.609 4 U 8.047E+03 0.000E+00 a 0 0 0 0
1532 2.790 0.661 13.532 4 U 3.963E+03 0.000E+00 a 0 0 0 0
1555 0.895 1.654 41.730 4 U 6.329E+03 0.000E+00 a 0 0 0 0
1556 0.649 1.647 41.837 4 U 7.772E+03 0.000E+00 a 0 0 0 0
1558 3.436 1.662 41.314 4 U 1.174E+04 0.000E+00 a 0 0 0 0
1559 2.110 1.659 41.339 4 U 9.983E+03 0.000E+00 a 0 0 0 0
1606 4.469 0.860 25.166 4 U 6.469E+03 0.000E+00 a 0 0 0 0
1608 4.080 0.848 25.590 4 U 4.177E+03 0.000E+00 a 0 0 0 0
1609 3.340 0.868 25.207 4 U 3.194E+03 0.000E+00 a 0 0 0 0
1610 2.584 0.866 25.409 4 U 5.119E+03 0.000E+00 a 0 0 0 0
1611 2.064 0.861 25.107 4 U 1.563E+04 0.000E+00 a 0 0 0 0
1612 6.874 0.866 25.085 4 U 6.611E+03 0.000E+00 a 0 0 0 0
1618 0.744 2.092 27.924 4 U 1.610E+04 0.000E+00 a 0 0 0 0
1619 3.451 2.068 27.646 4 U 6.841E+03 0.000E+00 a 0 0 0 0
1621 3.311 2.096 27.520 4 U 4.405E+03 0.000E+00 a 0 0 0 0
1637 0.869 1.895 36.772 4 U 1.529E+04 0.000E+00 a 0 0 0 0
1652 1.940 0.036 22.556 4 U 2.167E+04 0.000E+00 a 0 0 0 0
1653 1.700 0.080 22.389 3 U 5.675E+03 0.000E+00 a 0 3200 3458 3461 #VC 0.32784 #QU 0.395 #SUP 0.91
3589 3458 3461 #VC 0.67216 #QU 0.858 #SUP 0.91
1654 0.794 0.084 22.495 3 U 3.241E+04 0.000E+00 a 0 4316 3458 3461 #QU 0.649 #SUP 0.65
1655 0.741 0.010 22.262 4 U 1.469E+04 0.000E+00 a 0 0 0 0
1657 6.882 0.039 22.427 3 U 8.507E+03 0.000E+00 a 0 4016 3265 3267 #QU 0.970 #SUP 0.97
1659 6.586 0.033 22.504 3 U 1.248E+04 0.000E+00 a 0 3710 3265 3267 #VC 0.49275 #QU 0.663 #SUP 0.99
4191 3265 3267 #VC 0.50725 #QU 0.960 #SUP 0.99
1661 9.088 3.906 50.678 4 U 4.596E+03 0.000E+00 a 0 0 0 0
1662 6.753 3.944 50.685 4 U 4.748E+03 0.000E+00 a 0 0 0 0
1663 5.133 3.932 50.884 4 U 4.459E+03 0.000E+00 a 0 0 0 0
1796 3.998 0.655 14.888 4 U 2.720E+04 0.000E+00 a 0 0 0 0
1801 1.707 0.651 14.873 3 U 2.801E+04 0.000E+00 a 0 3200 3202 3232 #VC 0.49490 #QU 0.524 #SUP 0.78
3589 3202 3232 #VC 0.50510 #QU 0.535 #SUP 0.78
1814 3.447 0.705 21.557 4 U 7.278E+03 0.000E+00 a 0 0 0 0
1816 1.365 0.704 21.692 4 U 5.700E+03 0.000E+00 a 0 0 0 0
2034 0.900 0.373 24.050 4 U 7.556E+03 0.000E+00 a 0 0 0 0
2051 0.828 1.162 22.866 4 U 7.732E+03 0.000E+00 a 0 0 0 0
2078 5.028 0.745 22.945 3 U 8.747E+03 0.000E+00 a 0 3717 3286 3282 #QU 0.514 #SUP 0.51
2100 1.806 2.107 37.558 3 U 5.687E+03 0.000E+00 a 0 3586 3587 3253 #QU 0.750 #SUP 0.75
2118 1.938 1.573 34.217 4 U 6.629E+03 0.000E+00 a 0 0 0 0
2123 0.858 0.533 20.817 4 U 7.671E+03 0.000E+00 a 0 0 0 0
2126 1.908 2.195 31.682 3 U 4.000E+03 0.000E+00 a 0 3426 3425 3421 #VC 0.57342 #QU 0.520 #SUP 0.71
3428 3425 3421 #VC 0.42658 #QU 0.387 #SUP 0.71
2215 1.699 0.535 25.479 3 U 7.293E+03 0.000E+00 a 0 3589 3457 3460 #QU 0.619 #SUP 0.62
2257 3.656 3.108 41.901 4 U 7.787E+03 0.000E+00 a 0 0 0 0
2259 5.025 3.137 41.659 3 U 6.576E+03 0.000E+00 a 0 3717 3174 2706 #QU 0.566 #SUP 0.57
2262 3.991 0.732 13.833 4 U 5.018E+03 0.000E+00 a 0 0 0 0
2263 1.925 0.756 13.875 3 U 5.364E+03 0.000E+00 a 0 3367 3374 3373 #QU 0.605 #SUP 0.60
2266 1.692 0.755 13.770 3 U 1.263E+04 0.000E+00 a 0 3200 3374 3373 #QU 0.487 #SUP 0.49
2267 1.545 0.741 13.810 3 U 1.165E+04 0.000E+00 a 0 3369 3374 3373 #QU 0.651 #SUP 0.65
2276 0.749 1.922 27.938 4 U 1.536E+04 0.000E+00 a 0 0 0 0
2279 3.446 1.924 27.870 4 U 7.774E+03 0.000E+00 a 0 0 0 0
2284 6.134 0.846 15.556 4 U 5.438E+03 0.000E+00 a 0 0 0 0
2489 0.915 1.395 22.538 3 U 4.584E+03 0.000E+00 a 0 3304 3296 3563 #QU 0.711 #SUP 0.71
2490 6.291 1.396 22.631 4 U 2.930E+04 0.000E+00 a 0 0 0 0
2500 1.936 2.243 34.514 4 U 5.586E+03 0.000E+00 a 0 0 0 0
2501 1.395 2.237 34.380 4 U 4.032E+03 0.000E+00 a 0 0 0 0
2502 2.920 -0.196 16.144 3 U 8.166E+03 0.000E+00 a 0 3175 3242 3243 #QU 0.413 #SUP 0.41
2503 2.533 -0.197 16.068 4 U 1.064E+04 0.000E+00 a 0 0 0 0
2504 0.749 -0.197 16.118 3 U 1.478E+04 0.000E+00 a 0 3286 3242 3243 #VC 0.47000 #QU 0.714 #SUP 0.80
3288 3242 3243 #VC 0.53000 #QU 0.293 #SUP 0.80
2505 9.026 -0.201 16.102 3 U 8.938E+03 0.000E+00 a 0 4079 3242 3243 #QU 0.833 #SUP 0.83
2506 6.888 -0.196 16.127 3 U 2.246E+04 0.000E+00 a 0 4016 3242 3243 #QU 0.899 #SUP 0.90
2507 5.811 -0.192 16.140 4 U 1.467E+04 0.000E+00 a 0 0 0 0
2508 4.996 -0.198 16.125 4 U 5.223E+03 0.000E+00 a 0 0 0 0
2509 4.428 1.431 18.556 3 U 4.838E+03 0.000E+00 a 0 3665 3454 2412 #QU 0.608 #SUP 0.61
2510 3.835 1.435 18.611 4 U 6.202E+03 0.000E+00 a 0 0 0 0
2511 2.985 1.428 18.667 4 U 8.209E+03 0.000E+00 a 0 0 0 0 #QU 0.001
2512 6.888 1.150 41.026 3 U 9.826E+03 0.000E+00 a 0 4016 3251 3246 #QU 0.642 #SUP 0.64
2513 5.807 1.155 40.970 3 U 8.939E+03 0.000E+00 a 0 4015 3251 3246 #QU 0.368 #SUP 0.37
2514 9.038 1.143 40.816 3 U 7.980E+03 0.000E+00 a 0 4079 3251 3246 #QU 0.645 #SUP 0.65
;
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 . . 11 ppm . . . 4.7 . . 34261 4
2 . . C 13 H-aliphatic . . 70 ppm . . . 39 . . 34261 4
3 . . H 1 C-aliphatic . . 13.6 ppm . . . 4.7 . . 34261 4
stop_
save_