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 34404
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_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 *
1 472.740 1168.706 1.000 1.000 8.585 3.760 6870.544 3008.872 1.000 1.000 5.549 5.549 471 474 1167 1170 -5.869246e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 1 4
2 471.283 1396.030 1.000 1.000 8.595 2.184 6878.630 1747.528 1.000 1.000 5.549 5.549 469 472 1394 1397 -1.987281e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 1 4
3 469.713 1558.602 1.000 1.000 8.606 1.056 6887.337 845.477 1.000 1.000 5.549 5.549 468 471 1557 1560 -1.507804e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 1 4
4 469.489 1568.935 1.000 1.000 8.607 0.985 6888.581 788.143 1.000 1.000 5.549 5.549 467 470 1567 1570 -1.223650e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 1 4
5 484.285 1055.044 1.000 1.000 8.505 4.548 6806.482 3639.544 1.000 1.000 5.549 5.549 482 485 1053 1056 -3.880696e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 2 5
6 484.397 1135.640 1.000 1.000 8.504 3.989 6805.860 3192.341 1.000 1.000 5.549 5.549 482 485 1134 1137 -9.384200e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 3 1
7 484.397 1157.684 1.000 1.000 8.504 3.836 6805.860 3070.029 1.000 1.000 5.549 5.549 482 485 1156 1159 -8.542180e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 4 1
8 483.949 1225.881 1.000 1.000 8.507 3.363 6808.348 2691.625 1.000 1.000 5.549 5.549 482 485 1224 1227 -3.372712e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 5 2
9 484.285 1245.169 1.000 1.000 8.505 3.230 6806.482 2584.603 1.000 1.000 5.549 5.549 482 485 1243 1246 -4.598072e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 5 2
10 494.149 1113.597 1.000 1.000 8.436 4.142 6751.750 3314.653 1.000 1.000 5.549 5.549 492 495 1112 1115 -2.559165e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 6 1
11 493.589 1486.271 1.000 1.000 8.440 1.558 6754.859 1246.813 1.000 1.000 5.549 5.549 492 495 1484 1487 -5.744185e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 7 1
12 510.179 1090.864 1.000 1.000 8.325 4.299 6662.809 3440.787 1.000 1.000 5.549 5.549 508 511 1089 1092 -2.991072e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 8 1
13 511.075 1111.530 1.000 1.000 8.319 4.156 6657.833 3326.119 1.000 1.000 5.549 5.549 509 512 1110 1113 -4.320864e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 9 1
14 510.515 1142.529 1.000 1.000 8.323 3.941 6660.943 3154.118 1.000 1.000 5.549 5.549 509 512 1141 1144 -2.706772e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 10 1
15 511.412 1445.628 1.000 1.000 8.317 1.840 6655.968 1472.326 1.000 1.000 5.549 5.549 509 512 1444 1447 -6.866057e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 11 2
16 511.188 1454.583 1.000 1.000 8.318 1.778 6657.211 1422.637 1.000 1.000 5.549 5.549 509 512 1453 1456 -3.950662e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 11 2
17 511.188 1484.893 1.000 1.000 8.318 1.567 6657.211 1254.458 1.000 1.000 5.549 5.549 509 512 1483 1486 -3.955209e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 12 2
18 509.282 1527.603 1.000 1.000 8.332 1.271 6667.785 1017.478 1.000 1.000 5.549 5.549 507 510 1526 1529 -2.199856e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 12 2
19 510.179 1575.134 1.000 1.000 8.325 0.942 6662.809 753.742 1.000 1.000 5.549 5.549 508 511 1573 1576 -3.038082e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 13 1
20 520.379 1171.461 1.000 1.000 8.255 3.741 6606.210 2993.583 1.000 1.000 5.549 5.549 518 521 1169 1172 -2.458758e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 14 1
21 521.388 1135.640 1.000 1.000 8.248 3.989 6600.613 3192.341 1.000 1.000 5.549 5.549 519 522 1134 1137 -2.495769e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 15 1
22 526.768 1092.242 1.000 1.000 8.210 4.290 6570.759 3433.142 1.000 1.000 5.549 5.549 525 528 1090 1093 -3.880272e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 16 1
23 526.544 1110.153 1.000 1.000 8.212 4.166 6572.003 3333.764 1.000 1.000 5.549 5.549 525 528 1108 1111 -3.127772e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 17 1
24 525.647 1139.085 1.000 1.000 8.218 3.965 6576.979 3173.229 1.000 1.000 5.549 5.549 524 527 1137 1140 -2.469849e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 18 1
25 526.544 1236.903 1.000 1.000 8.212 3.287 6572.003 2630.469 1.000 1.000 5.549 5.549 525 528 1235 1238 -2.914734e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 19 3
26 526.993 1259.636 1.000 1.000 8.209 3.129 6569.515 2504.335 1.000 1.000 5.549 5.549 525 528 1258 1261 -3.911906e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 19 3
27 527.105 1276.857 1.000 1.000 8.208 3.010 6568.893 2408.778 1.000 1.000 5.549 5.549 525 528 1275 1278 -4.202964e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 19 3
28 521.052 1425.651 1.000 1.000 8.250 1.978 6602.479 1583.171 1.000 1.000 5.549 5.549 519 522 1424 1427 -4.336894e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 20 1
29 531.700 1108.775 1.000 1.000 8.176 4.175 6543.393 3341.409 1.000 1.000 5.549 5.549 530 533 1107 1110 -4.390905e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 21 1
30 530.804 1139.774 1.000 1.000 8.182 3.960 6548.368 3169.407 1.000 1.000 5.549 5.549 529 532 1138 1141 -2.487677e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 22 1
31 532.261 1253.436 1.000 1.000 8.172 3.172 6540.283 2538.735 1.000 1.000 5.549 5.549 530 533 1251 1254 -3.429560e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 23 1
32 532.149 1277.546 1.000 1.000 8.173 3.005 6540.904 2404.956 1.000 1.000 5.549 5.549 530 533 1276 1279 -2.606894e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 24 1
33 531.812 1444.939 1.000 1.000 8.175 1.844 6542.771 1476.148 1.000 1.000 5.549 5.549 530 533 1443 1446 -7.230810e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 25 1
34 531.364 1478.694 1.000 1.000 8.178 1.610 6545.258 1288.858 1.000 1.000 5.549 5.549 529 532 1477 1480 -3.180411e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 26 1
35 524.975 1533.114 1.000 1.000 8.223 1.233 6580.710 986.900 1.000 1.000 5.549 5.549 523 526 1531 1534 -2.011924e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 27 1
36 530.355 1532.425 1.000 1.000 8.185 1.238 6550.856 990.722 1.000 1.000 5.549 5.549 528 531 1530 1533 -3.090538e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 28 1
37 531.588 1575.134 1.000 1.000 8.177 0.942 6544.015 753.742 1.000 1.000 5.549 5.549 530 533 1573 1576 -4.092928e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 29 1
38 552.213 1091.553 1.000 1.000 8.034 4.295 6429.574 3436.965 1.000 1.000 5.549 5.549 550 553 1090 1093 -5.520730e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 30 3
39 553.110 1102.575 1.000 1.000 8.028 4.218 6424.598 3375.809 1.000 1.000 5.549 5.549 551 554 1101 1104 -7.547746e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 30 3
40 552.998 1141.840 1.000 1.000 8.028 3.946 6425.220 3157.940 1.000 1.000 5.549 5.549 551 554 1140 1143 -9.900517e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 31 4
41 552.550 1158.373 1.000 1.000 8.032 3.831 6427.708 3066.206 1.000 1.000 5.549 5.549 551 554 1156 1159 -3.162244e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 31 4
42 551.877 1238.281 1.000 1.000 8.036 3.277 6431.439 2622.824 1.000 1.000 5.549 5.549 550 553 1236 1239 -7.485238e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 32 2
43 552.550 1249.303 1.000 1.000 8.032 3.201 6427.708 2561.669 1.000 1.000 5.549 5.549 551 554 1247 1250 -5.622621e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 32 2
44 550.308 1107.397 1.000 1.000 8.047 4.185 6440.147 3349.053 1.000 1.000 5.549 5.549 548 551 1105 1108 -6.348886e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 30 3
45 550.196 1132.885 1.000 1.000 8.048 4.008 6440.769 3207.629 1.000 1.000 5.549 5.549 548 551 1131 1134 -5.477350e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 31 4
46 550.196 1156.995 1.000 1.000 8.048 3.841 6440.769 3073.851 1.000 1.000 5.549 5.549 548 551 1155 1158 -2.526887e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 31 4
47 554.343 1280.302 1.000 1.000 8.019 2.986 6417.756 2389.667 1.000 1.000 5.549 5.549 552 555 1278 1281 -3.477571e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 33 1
48 549.299 1438.051 1.000 1.000 8.054 1.892 6445.745 1514.371 1.000 1.000 5.549 5.549 547 550 1436 1439 -5.171627e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 34 1
49 549.747 1472.494 1.000 1.000 8.051 1.653 6443.257 1323.258 1.000 1.000 5.549 5.549 548 551 1470 1473 -2.194387e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 35 3
50 549.411 1491.093 1.000 1.000 8.053 1.524 6445.123 1220.057 1.000 1.000 5.549 5.549 547 550 1489 1492 -8.248173e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 35 3
51 549.523 1507.626 1.000 1.000 8.053 1.410 6444.501 1128.323 1.000 1.000 5.549 5.549 548 551 1506 1509 -3.919721e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 35 3
52 551.877 1529.669 1.000 1.000 8.036 1.257 6431.439 1006.011 1.000 1.000 5.549 5.549 550 553 1528 1531 -2.110758e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 36 1
53 558.378 1557.913 1.000 1.000 7.991 1.061 6395.366 849.299 1.000 1.000 5.549 5.549 556 559 1556 1559 -2.787434e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 37 1
54 564.207 1560.668 1.000 1.000 7.951 1.042 6363.023 834.009 1.000 1.000 5.549 5.549 562 565 1559 1562 -3.120266e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 38 1
55 563.983 1509.693 1.000 1.000 7.952 1.396 6364.268 1116.856 1.000 1.000 5.549 5.549 562 565 1508 1511 -4.067555e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 39 1
56 564.095 1393.275 1.000 1.000 7.952 2.203 6363.646 1762.818 1.000 1.000 5.549 5.549 562 565 1391 1394 -2.401192e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 40 1
57 564.656 1219.682 1.000 1.000 7.948 3.406 6360.536 2726.025 1.000 1.000 5.549 5.549 563 566 1218 1221 -3.357311e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 41 2
58 564.319 1230.015 1.000 1.000 7.950 3.335 6362.402 2668.692 1.000 1.000 5.549 5.549 562 565 1228 1231 -3.739748e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 41 2
59 564.319 1133.574 1.000 1.000 7.950 4.003 6362.402 3203.807 1.000 1.000 5.549 5.549 562 565 1132 1135 -3.217552e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 42 1
60 564.095 1057.110 1.000 1.000 7.952 4.533 6363.646 3628.077 1.000 1.000 5.549 5.549 562 565 1055 1058 -3.441052e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 43 1
61 585.056 1119.797 1.000 1.000 7.806 4.099 6247.339 3280.252 1.000 1.000 5.549 5.549 583 586 1118 1121 -2.304589e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 44 1
62 585.729 1440.117 1.000 1.000 7.802 1.878 6243.607 1502.904 1.000 1.000 5.549 5.549 584 587 1438 1441 -5.379320e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 45 3
63 538.874 1165.950 1.000 1.000 8.126 3.779 6503.587 3024.162 1.000 1.000 5.549 5.549 537 540 1164 1167 -1.322246e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 46 1
64 585.505 1253.436 1.000 1.000 7.803 3.172 6244.851 2538.735 1.000 1.000 5.549 5.549 584 587 1251 1254 -1.077274e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 47 1
65 585.841 1457.339 1.000 1.000 7.801 1.759 6242.985 1407.348 1.000 1.000 5.549 5.549 584 587 1455 1458 -1.401351e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 45 3
66 586.401 1475.938 1.000 1.000 7.797 1.630 6239.875 1304.147 1.000 1.000 5.549 5.549 584 587 1474 1477 -1.277932e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 45 3
67 495.719 1555.846 1.000 1.000 8.426 1.076 6743.042 860.766 1.000 1.000 5.549 5.549 494 497 1554 1557 -1.575084e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 48 2
68 495.495 1570.312 1.000 1.000 8.427 0.975 6744.286 780.498 1.000 1.000 5.549 5.549 493 496 1568 1571 -1.502476e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 48 2
69 506.816 1559.979 1.000 1.000 8.349 1.047 6681.468 837.832 1.000 1.000 5.549 5.549 505 508 1558 1561 -1.954279e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 49 1
70 484.226 506.305 1.000 1.000 8.505 8.352 6806.810 6684.302 1.000 1.000 5.549 5.549 482 485 504 507 -2.091242e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 2 5
71 484.497 513.749 1.000 1.000 8.503 8.301 6805.306 6642.997 1.000 1.000 5.549 5.549 482 485 512 515 -1.377196e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 2 5
72 485.582 554.979 1.000 1.000 8.496 8.015 6799.290 6414.226 1.000 1.000 5.549 5.549 484 487 553 556 -3.382664e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 2 5
73 483.684 644.884 1.000 1.000 8.509 7.391 6809.818 5915.377 1.000 1.000 5.549 5.549 482 485 643 646 -2.813520e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 2 5
74 494.255 510.886 1.000 1.000 8.436 8.320 6751.162 6658.883 1.000 1.000 5.549 5.549 492 495 509 512 -2.823975e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 50 1
75 494.798 550.971 1.000 1.000 8.432 8.043 6748.154 6436.467 1.000 1.000 5.549 5.549 493 496 549 552 -2.513332e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 51 1
76 510.519 550.971 1.000 1.000 8.323 8.043 6660.921 6436.467 1.000 1.000 5.549 5.549 509 512 549 552 -3.026457e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 52 1
77 531.933 589.910 1.000 1.000 8.175 7.773 6542.104 6220.406 1.000 1.000 5.549 5.549 530 533 588 591 -1.956306e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 53 1
78 527.867 677.524 1.000 1.000 8.203 7.165 6564.664 5734.267 1.000 1.000 5.549 5.549 526 529 676 679 -2.428421e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 54 2
79 531.391 694.703 1.000 1.000 8.178 7.046 6545.111 5638.946 1.000 1.000 5.549 5.549 529 532 693 696 -1.594912e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 54 2
80 532.746 648.892 1.000 1.000 8.169 7.364 6537.591 5893.136 1.000 1.000 5.549 5.549 531 534 647 650 -1.360643e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 55 1
81 553.346 648.320 1.000 1.000 8.026 7.368 6423.286 5896.313 1.000 1.000 5.549 5.549 551 554 646 649 -1.588486e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 56 1
82 554.160 717.609 1.000 1.000 8.020 6.887 6418.774 5511.851 1.000 1.000 5.549 5.549 552 555 716 719 -1.557641e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 57 1
83 551.178 584.757 1.000 1.000 8.041 7.808 6435.318 6249.002 1.000 1.000 5.549 5.549 549 552 583 586 -3.221830e+09 +1.446960e+08 +0.000000e+00 0.00000 1 None 58 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 . . 11363.636 Hz . . . 4.756 . . 34404 1
2 . . H 1 H-aliphatic . . 11363.636 Hz . . . 4.756 . . 34404 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
3 $software_3 . . 34404 1
stop_
save_