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 34274
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
;
VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT
FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d
NULLVALUE -666
NULLSTRING *
1 562.552 1047.732 0.245 19.418 8.391 4.595 4196.463 2298.181 2.896 12.826 11.331 50.183 562 564 1041 1054 +1.577792e+05 +8.328093e+03 +4.179522e+06 0.00000 1 None 1 1
2 591.016 1062.711 0.060 15.269 8.168 4.478 4085.096 2239.575 1.960 14.312 7.667 55.996 590 592 1056 1070 +1.586782e+05 +7.913449e+03 +3.515612e+06 0.00000 1 None 2 1
3 603.644 1079.457 0.525 24.199 8.069 4.347 4035.690 2174.057 3.085 11.065 12.071 43.290 604 604 1078 1080 +7.145366e+04 +8.117500e+03 +2.054745e+05 0.00030 2 None 3 1
4 628.734 1086.474 0.201 26.052 7.873 4.292 3937.524 2146.601 2.251 12.406 8.805 48.539 628 629 1083 1089 +8.535274e+04 +8.170136e+03 +9.724472e+05 0.00011 2 None 4 1
6 632.782 1091.445 0.122 26.770 7.841 4.253 3921.685 2127.154 2.138 14.999 8.364 58.684 632 633 1085 1097 +1.164914e+05 +8.083308e+03 +2.194372e+06 0.00000 1 None 6 1
7 621.713 1091.501 0.146 18.167 7.928 4.253 3964.994 2126.933 2.633 14.382 10.302 56.270 621 623 1084 1100 +1.654354e+05 +8.084566e+03 +5.009262e+06 0.00000 1 None 7 1
10 615.320 1100.937 0.157 15.393 7.978 4.179 3990.005 2090.015 2.284 12.783 8.935 50.015 615 616 1096 1106 +1.233292e+05 +8.243261e+03 +2.050129e+06 0.00000 1 None 10 1
11 562.410 1104.763 0.094 6.129 8.392 4.149 4197.019 2075.047 2.777 13.108 10.867 51.285 560 563 1096 1114 +3.505425e+05 +8.248281e+03 +1.244522e+07 0.00000 1 None 11 2
14 591.408 1113.317 0.172 22.635 8.165 4.082 4083.562 2041.578 2.294 14.694 8.974 57.492 591 592 1107 1119 +1.312720e+05 +8.420711e+03 +2.640502e+06 0.00000 1 None 14 1
15 559.026 1114.497 0.047 8.648 8.418 4.073 4210.257 2036.964 2.457 14.091 9.612 55.131 558 560 1106 1124 +3.197722e+05 +7.910936e+03 +9.718920e+06 0.00000 1 None 11 2
16 632.887 1118.860 0.044 15.252 7.840 4.039 3921.276 2019.893 2.097 19.042 8.204 74.503 632 634 1107 1130 +2.620039e+05 +7.933058e+03 +9.170348e+06 0.00000 1 None 15 1
17 603.972 1120.339 0.046 13.440 8.067 4.027 4034.406 2014.106 2.226 17.154 8.708 67.114 603 605 1110 1132 +2.677326e+05 +7.898801e+03 +9.362452e+06 0.00000 1 None 16 1
18 621.359 1120.160 0.175 28.198 7.931 4.029 3966.378 2014.808 2.330 16.857 9.118 65.953 621 622 1113 1128 +1.218424e+05 +8.253589e+03 +2.918389e+06 0.00000 1 None 17 1
20 666.700 1119.723 0.239 35.916 7.576 4.032 3788.982 2016.517 2.296 14.977 8.983 58.599 667 667 1118 1123 +7.872952e+04 +8.196873e+03 +4.392476e+05 0.00031 2 None 19 1
21 572.145 1120.365 0.072 14.894 8.316 4.027 4158.929 2014.006 2.339 14.081 9.153 55.093 571 573 1113 1129 +2.105943e+05 +7.989595e+03 +5.865774e+06 0.00000 1 None 20 1
23 653.691 1121.875 0.140 79.578 7.678 4.015 3839.878 2008.096 1.908 18.925 7.467 74.044 653 654 1117 1126 +9.557928e+04 +8.400066e+03 +1.485362e+06 0.00004 1 None 22 1
25 587.176 1129.688 0.063 15.394 8.198 3.954 4100.121 1977.528 2.048 15.462 8.014 60.496 587 588 1122 1139 +1.919911e+05 +8.019273e+03 +4.143992e+06 0.00000 1 None 24 1
26 562.090 1149.560 0.134 33.532 8.394 3.799 4198.271 1899.779 2.012 14.053 7.871 54.983 562 562 1147 1153 +7.884354e+04 +7.974979e+03 +5.156798e+05 0.00094 2 None 25 1
29 558.964 1163.053 0.066 8.545 8.419 3.693 4210.502 1846.986 2.576 14.166 10.080 55.424 558 560 1154 1172 +2.500048e+05 +7.886135e+03 +7.966186e+06 0.00000 1 None 28 1
30 572.056 1163.850 0.115 21.451 8.316 3.687 4159.276 1843.868 2.222 14.514 8.694 56.786 572 573 1159 1170 +1.078013e+05 +7.908702e+03 +1.801456e+06 0.00000 1 None 29 1
31 666.828 1163.273 0.100 24.593 7.575 3.691 3788.479 1846.125 2.170 13.948 8.489 54.571 666 667 1157 1170 +1.362251e+05 +8.030326e+03 +2.606874e+06 0.00000 1 None 30 1
32 614.979 1164.395 0.163 38.472 7.981 3.683 3991.342 1841.736 2.296 14.313 8.984 56.000 615 615 1162 1168 +8.085423e+04 +7.924672e+03 +5.350262e+05 0.00017 2 None 31 1
33 624.000 1216.563 0.103 74.380 7.910 3.274 3956.044 1637.626 1.670 19.414 6.533 75.956 624 624 1216 1217 -6.712967e+04 +7.940056e+03 -1.339419e+05 0.01814 2 None 32 1
35 682.987 1257.312 0.112 13.363 7.449 2.956 3725.260 1478.198 2.790 13.849 10.915 54.184 682 684 1250 1265 +1.721297e+05 +7.902075e+03 +5.253210e+06 0.00000 1 None 34 1
36 591.068 1267.301 0.042 14.272 8.168 2.877 4084.895 1439.114 2.153 18.251 8.425 71.407 590 592 1256 1280 +2.786352e+05 +7.904595e+03 +1.016650e+07 0.00000 1 None 35 2
37 614.846 1268.350 0.134 19.704 7.982 2.869 3991.862 1435.010 2.589 14.894 10.128 58.274 614 616 1261 1276 +1.404040e+05 +7.935907e+03 +4.247666e+06 0.00000 1 None 36 1
38 662.389 1268.140 0.087 18.437 7.610 2.871 3805.849 1435.833 2.059 17.142 8.057 67.068 662 663 1259 1278 +2.029498e+05 +8.512418e+03 +5.318182e+06 0.00000 1 None 37 1
41 559.048 1354.347 0.065 14.659 8.418 2.197 4210.172 1098.547 2.264 15.305 8.858 59.882 558 560 1346 1362 +1.968885e+05 +7.909001e+03 +5.661151e+06 0.00000 1 None 39 1
42 666.555 1355.815 0.231 13.375 7.577 2.185 3789.550 1092.804 3.259 15.256 12.752 59.691 665 668 1346 1367 +2.077680e+05 +8.151500e+03 +9.312732e+06 0.00000 1 None 40 1
45 603.925 1364.830 0.042 7.550 8.067 2.115 4034.588 1057.531 2.604 16.795 10.190 65.710 603 606 1354 1377 +4.122741e+05 +7.880262e+03 +1.776120e+07 0.00000 1 None 43 2
47 614.944 1389.858 0.043 7.858 7.981 1.919 3991.478 959.608 2.128 13.878 8.325 54.296 614 616 1382 1400 +2.684357e+05 +7.915299e+03 +7.216936e+06 0.00000 1 None 45 8
48 632.924 1390.197 0.107 15.309 7.840 1.916 3921.132 958.283 2.568 14.664 10.047 57.374 632 634 1382 1397 +1.574429e+05 +7.900669e+03 +4.692742e+06 0.00000 1 None 46 1
50 587.155 1391.107 0.020 4.270 8.198 1.909 4100.201 954.723 2.100 15.372 8.216 60.143 586 588 1380 1402 +6.108618e+05 +7.992910e+03 +1.781741e+07 0.00000 1 None 48 2
52 602.367 1390.564 0.124 20.724 8.079 1.913 4040.686 956.846 2.358 15.958 9.225 62.437 602 603 1383 1398 +1.797356e+05 +8.329847e+03 +4.262086e+06 0.00000 1 None 43 2
57 569.135 1393.453 0.098 21.186 8.339 1.891 4170.707 945.542 2.267 14.985 8.868 58.629 567 570 1387 1400 -1.440944e+05 +7.985591e+03 -5.064574e+06 0.00000 1 None 53 4
58 572.120 1392.984 0.024 4.437 8.316 1.894 4159.027 947.379 2.248 15.416 8.794 60.316 571 574 1382 1404 +5.746029e+05 +7.933599e+03 +2.091839e+07 0.00000 1 None 53 4
60 651.703 1395.718 0.153 138.270 7.693 1.873 3847.658 936.683 1.980 19.043 7.747 74.504 651 652 1389 1399 +9.391618e+04 +8.410330e+03 +1.576096e+06 0.00005 1 None 55 2
62 651.013 1398.071 0.315 22.591 7.699 1.854 3850.356 927.477 3.412 13.907 13.350 54.410 650 652 1394 1403 +9.135695e+04 +7.883650e+03 +2.189656e+06 0.00000 1 None 55 2
64 621.758 1398.794 0.034 5.250 7.928 1.849 3964.817 924.646 2.285 14.835 8.941 58.043 620 623 1388 1410 +4.930053e+05 +8.078629e+03 +1.621247e+07 0.00000 1 None 45 8
66 669.866 1402.941 0.519 24.275 7.551 1.816 3776.596 908.424 4.097 14.132 16.029 55.290 669 671 1398 1407 +8.783736e+04 +7.887566e+03 +2.204354e+06 0.00000 1 None 56 1
69 628.853 1406.793 0.052 13.961 7.872 1.786 3937.059 893.352 2.288 14.736 8.950 57.655 627 630 1397 1417 +2.801085e+05 +7.992949e+03 +1.037169e+07 0.00000 1 None 45 8
70 615.038 1411.755 0.044 15.143 7.980 1.747 3991.111 873.936 2.028 14.459 7.935 56.572 614 616 1402 1420 +2.378376e+05 +7.940660e+03 +6.261100e+06 0.00000 3 None 45 8
71 572.181 1412.561 0.075 35.100 8.315 1.741 4158.790 870.785 2.036 19.332 7.964 75.638 572 573 1399 1419 +1.605981e+05 +8.028401e+03 +6.340292e+06 0.00000 3 None 53 4
73 562.368 1414.208 0.110 13.707 8.392 1.728 4197.181 864.339 2.685 17.229 10.506 67.408 561 563 1402 1424 +2.624255e+05 +8.174103e+03 +1.055770e+07 0.00000 1 None 59 1
75 587.216 1426.916 0.088 39.110 8.198 1.629 4099.964 814.619 2.012 22.226 7.873 86.959 587 588 1417 1443 +1.416150e+05 +8.065310e+03 +5.217764e+06 0.00000 1 None 61 2
76 603.211 1427.712 0.149 105.788 8.073 1.623 4037.383 811.504 2.279 20.886 8.916 81.717 603 604 1418 1436 +1.081605e+05 +8.067755e+03 +2.970059e+06 0.00000 1 None 62 1
77 628.941 1428.865 0.079 17.058 7.871 1.614 3936.716 806.994 2.142 15.148 8.380 59.268 628 630 1418 1436 +1.467588e+05 +7.902894e+03 +4.481634e+06 0.00000 3 None 45 8
79 621.772 1432.279 0.095 27.444 7.927 1.587 3964.763 793.639 2.045 17.586 8.003 68.805 621 622 1424 1441 +1.387519e+05 +8.081296e+03 +3.273785e+06 0.00000 1 None 64 1
80 572.333 1437.453 0.154 32.553 8.314 1.546 4158.195 773.396 2.112 15.516 8.264 60.708 572 573 1432 1443 +1.096230e+05 +8.317026e+03 +2.017099e+06 0.00000 1 None 65 1
81 587.126 1442.808 0.091 52.645 8.198 1.504 4100.314 752.441 1.996 23.379 7.811 91.470 587 588 1426 1451 +1.173788e+05 +7.938576e+03 +4.920507e+06 0.00000 1 None 61 2
84 666.378 1500.120 0.132 14.354 7.578 1.056 3790.242 528.207 2.585 15.820 10.113 61.898 665 668 1491 1511 +2.057559e+05 +8.220085e+03 +9.478983e+06 0.00000 1 None 68 1
85 562.692 1506.011 0.143 20.150 8.390 1.010 4195.916 505.160 2.123 14.060 8.307 55.011 562 563 1501 1511 +1.141941e+05 +8.277145e+03 +1.914656e+06 0.00000 1 None 69 1
88 603.677 1513.711 0.102 11.319 8.069 0.950 4035.560 475.034 2.471 14.062 9.666 55.016 603 605 1505 1522 +2.210841e+05 +8.167773e+03 +6.468926e+06 0.00000 1 None 72 1
90 571.886 1518.683 0.085 55.231 8.318 0.911 4159.943 455.579 1.829 18.780 7.154 73.476 572 572 1511 1525 +1.049134e+05 +7.960033e+03 +1.355185e+06 0.00001 1 None 74 1
95 562.788 1128.786 0.132 26.587 8.389 3.961 4195.539 1981.057 2.222 15.372 8.694 60.143 561 563 1121 1135 +6.149605e+04 +1.443570e+04 +0.000000e+00 0.00000 1 None 78 1
96 590.389 1163.988 0.132 26.587 8.173 3.686 4087.551 1843.329 2.222 15.372 8.694 60.143 589 591 1156 1170 +6.010280e+04 +1.443570e+04 +0.000000e+00 0.00000 1 None 79 1
97 633.016 1151.926 0.132 26.587 7.839 3.780 3920.770 1890.521 2.222 15.372 8.694 60.143 632 634 1144 1158 +7.918521e+04 +1.443570e+04 +0.000000e+00 0.00000 1 None 80 1
40 562.095 585.923 0.088 3.573 8.394 8.208 4198.249 4105.015 2.127 6.656 8.323 26.043 562 563 583 589 +1.359190e+05 +8.055751e+03 +1.153386e+06 0.00000 3 None 10 85
50 571.907 594.508 0.035 4.144 8.318 8.141 4159.859 4071.425 1.914 8.995 7.489 35.194 571 573 589 599 +2.795512e+05 +8.095510e+03 +3.859385e+06 0.00000 3 None 10 85
54 558.769 596.696 0.198 11.617 8.420 8.124 4211.265 4062.863 2.684 10.447 10.501 40.872 558 559 592 601 +1.153643e+05 +8.019920e+03 +1.803230e+06 0.00000 1 None 25 1
62 587.042 610.192 0.039 3.831 8.199 8.018 4100.645 4010.060 1.556 7.302 6.090 28.571 587 587 608 614 +1.606016e+05 +8.162779e+03 +8.962365e+05 0.00000 3 None 28 1
65 753.250 613.063 0.145 37.204 6.899 7.996 3450.356 3998.826 1.782 15.156 6.970 59.299 753 753 611 614 -7.199700e+04 +8.274101e+03 -2.722821e+05 0.00278 2 None 30 1
66 571.951 613.926 0.047 6.834 8.317 7.989 4159.690 3995.452 2.269 13.264 8.876 51.896 571 573 607 623 +2.766129e+05 +7.925106e+03 +7.513032e+06 0.00000 1 None 31 1
69 591.074 615.198 0.026 3.062 8.168 7.979 4084.869 3990.473 1.841 9.513 7.201 37.220 590 592 610 622 +3.361322e+05 +8.003375e+03 +4.676969e+06 0.00000 3 None 10 85
81 603.698 627.654 0.121 4.486 8.069 7.881 4035.476 3941.740 2.162 6.857 8.458 26.827 603 604 625 631 +1.419372e+05 +8.392525e+03 +1.378313e+06 0.00000 3 None 10 85
86 586.980 630.221 0.044 17.046 8.200 7.861 4100.886 3931.697 1.884 17.283 7.370 67.619 586 588 623 642 +1.990040e+05 +7.915695e+03 +5.656340e+06 0.00000 1 None 37 2
128 558.860 666.767 0.093 13.851 8.420 7.575 4210.906 3788.712 2.573 15.284 10.066 59.800 558 560 659 677 +1.940729e+05 +7.920257e+03 +6.472946e+06 0.00000 1 None 53 1
132 603.954 668.002 0.084 84.800 8.067 7.566 4034.478 3783.880 2.365 26.085 9.254 102.058 603 605 658 678 +1.669471e+05 +7.909040e+03 +6.667312e+06 0.00000 1 None 55 1
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 HN . 'not observed' 8012.821 Hz . . . 4.773 . . 34274 1
2 . . H 1 HN . 'not observed' 8012.821 Hz . . . 4.773 . . 34274 1
stop_
save_