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 34413
_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 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 *
2 672.144 1313.264 1.000 1.000 8.399 1.884 5041.238 1130.540 1.000 1.000 6.104 6.104 670 673 1311 1314 -4.816482e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 2 1
3 687.735 1282.010 1.000 1.000 8.241 2.201 4946.078 1321.301 1.000 1.000 6.104 6.104 686 689 1280 1283 -7.318683e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 3 3
4 687.215 1228.989 1.000 1.000 8.246 2.741 4949.250 1644.912 1.000 1.000 6.104 6.104 685 688 1227 1230 -1.355567e+10 +2.381865e+08 +0.000000e+00 0.00000 1 None 3 3
5 690.334 1202.758 1.000 1.000 8.214 3.007 4930.218 1805.015 1.000 1.000 6.104 6.104 688 691 1201 1204 -5.293395e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 3 3
8 712.854 1165.922 1.000 1.000 7.985 3.382 4792.765 2029.840 1.000 1.000 6.104 6.104 711 714 1164 1167 -1.044572e+10 +2.381865e+08 +0.000000e+00 0.00000 1 None 6 1
9 717.704 1170.387 1.000 1.000 7.936 3.337 4763.159 2002.588 1.000 1.000 6.104 6.104 716 719 1168 1171 -4.394368e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 7 1
11 665.734 1124.622 1.000 1.000 8.464 3.802 5080.359 2281.917 1.000 1.000 6.104 6.104 664 667 1123 1126 -1.451161e+10 +2.381865e+08 +0.000000e+00 0.00000 1 None 9 2
13 662.789 1044.812 1.000 1.000 8.494 4.614 5098.334 2769.038 1.000 1.000 6.104 6.104 661 664 1043 1046 -3.449730e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 11 1
14 678.727 1037.557 1.000 1.000 8.332 4.687 5001.059 2813.322 1.000 1.000 6.104 6.104 677 680 1036 1039 -7.237484e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 12 2
17 685.310 1206.107 1.000 1.000 8.265 2.973 4960.881 1784.576 1.000 1.000 6.104 6.104 683 686 1204 1207 -3.966871e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 15 1
18 717.704 1208.897 1.000 1.000 7.936 2.945 4763.159 1767.544 1.000 1.000 6.104 6.104 716 719 1207 1210 -3.452872e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 16 1
19 700.554 1165.364 1.000 1.000 8.110 3.388 4867.835 2033.247 1.000 1.000 6.104 6.104 699 702 1163 1166 -8.571589e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 17 1
20 686.176 1138.575 1.000 1.000 8.257 3.660 4955.594 2196.756 1.000 1.000 6.104 6.104 684 687 1137 1140 -4.620546e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 18 1
21 678.900 1121.832 1.000 1.000 8.331 3.830 5000.002 2298.949 1.000 1.000 6.104 6.104 677 680 1120 1123 -8.636337e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 19 1
22 665.215 1109.553 1.000 1.000 8.470 3.955 5083.532 2373.891 1.000 1.000 6.104 6.104 663 666 1108 1111 -1.802914e+10 +2.381865e+08 +0.000000e+00 0.00000 1 None 9 2
23 700.901 1122.948 1.000 1.000 8.107 3.819 4865.721 2292.136 1.000 1.000 6.104 6.104 699 702 1121 1124 -5.504514e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 10 2
24 712.334 1121.274 1.000 1.000 7.991 3.836 4795.937 2302.356 1.000 1.000 6.104 6.104 710 713 1119 1122 -7.933518e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 20 1
25 730.524 1108.995 1.000 1.000 7.806 3.961 4684.916 2377.297 1.000 1.000 6.104 6.104 729 732 1107 1110 -3.606453e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 21 1
26 730.697 1071.044 1.000 1.000 7.804 4.347 4683.859 2608.935 1.000 1.000 6.104 6.104 729 732 1069 1072 -3.626095e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 22 1
28 717.878 1038.673 1.000 1.000 7.934 4.676 4762.102 2806.509 1.000 1.000 6.104 6.104 716 719 1037 1040 -7.854568e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 24 1
30 712.854 1054.858 1.000 1.000 7.985 4.511 4792.765 2707.722 1.000 1.000 6.104 6.104 711 714 1053 1056 -3.095187e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 26 1
31 679.247 1044.812 1.000 1.000 8.327 4.614 4997.888 2769.038 1.000 1.000 6.104 6.104 677 680 1043 1046 -4.232174e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 12 2
32 672.490 1054.300 1.000 1.000 8.396 4.517 5039.124 2711.128 1.000 1.000 6.104 6.104 670 673 1052 1055 -8.474296e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 27 1
33 661.230 1083.322 1.000 1.000 8.510 4.222 5107.850 2533.993 1.000 1.000 6.104 6.104 659 662 1081 1084 -5.545858e+09 +2.381865e+08 +0.000000e+00 0.00000 1 None 28 1
34 660.188 711.367 1.000 1.000 8.521 8.004 5114.215 4804.228 1.000 1.000 6.104 6.104 658 661 709 712 -1.601559e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 29 3
35 662.016 700.300 1.000 1.000 8.502 8.117 5103.057 4871.773 1.000 1.000 6.104 6.104 660 663 698 701 -7.251727e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 29 3
36 661.203 689.904 1.000 1.000 8.510 8.223 5108.016 4935.225 1.000 1.000 6.104 6.104 659 662 688 691 -6.515122e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 29 3
37 665.672 685.880 1.000 1.000 8.465 8.264 5080.741 4959.786 1.000 1.000 6.104 6.104 664 667 684 687 -4.670241e+08 +2.381870e+08 +0.000000e+00 0.02140 1 None 30 1
38 672.781 713.379 1.000 1.000 8.393 7.984 5037.349 4791.947 1.000 1.000 6.104 6.104 671 674 711 714 -5.365206e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 31 1
39 672.375 701.642 1.000 1.000 8.397 8.103 5039.828 4863.585 1.000 1.000 6.104 6.104 670 673 700 703 -5.360108e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 32 1
40 678.875 700.300 1.000 1.000 8.331 8.117 5000.155 4871.773 1.000 1.000 6.104 6.104 677 680 698 701 -5.055655e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 33 1
41 682.531 718.074 1.000 1.000 8.294 7.936 4977.839 4763.292 1.000 1.000 6.104 6.104 681 684 716 719 -3.627864e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 34 1
42 687.203 699.965 1.000 1.000 8.246 8.120 4949.325 4873.820 1.000 1.000 6.104 6.104 685 688 698 701 -2.357994e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 35 1
46 712.188 671.125 1.000 1.000 7.992 8.414 4796.832 5049.846 1.000 1.000 6.104 6.104 710 713 669 672 -9.263798e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 39 1
48 711.781 729.476 1.000 1.000 7.996 7.820 4799.312 4693.700 1.000 1.000 6.104 6.104 710 713 727 730 -6.022118e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 41 1
49 717.266 745.908 1.000 1.000 7.940 7.653 4765.838 4593.405 1.000 1.000 6.104 6.104 715 718 744 747 -2.041798e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 42 1
52 757.891 635.242 1.000 1.000 7.527 8.779 4517.882 5268.856 1.000 1.000 6.104 6.104 756 759 633 636 -8.672984e+08 +2.381870e+08 +0.000000e+00 0.00000 1 None 45 1
55 700.835 1407.289 1.000 1.000 8.107 0.927 4866.123 556.654 1.000 1.000 6.104 6.104 698 702 1405 1409 -2.676861e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 48 1
56 684.101 1392.307 1.000 1.000 8.278 1.080 4968.261 648.096 1.000 1.000 6.104 6.104 682 686 1390 1394 -2.959143e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 47 2
57 707.383 1353.954 1.000 1.000 8.041 1.470 4826.155 882.187 1.000 1.000 6.104 6.104 705 709 1351 1355 -1.350988e+10 +2.381870e+08 +0.000000e+00 0.00000 1 None 49 1
58 660.333 1354.553 1.000 1.000 8.519 1.464 5113.328 878.530 1.000 1.000 6.104 6.104 658 662 1352 1356 -4.443944e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 50 1
59 685.798 1341.369 1.000 1.000 8.260 1.598 4957.899 958.998 1.000 1.000 6.104 6.104 683 687 1339 1343 -1.042247e+10 +2.381870e+08 +0.000000e+00 0.00000 1 None 51 1
60 691.861 1342.568 1.000 1.000 8.199 1.586 4920.893 951.683 1.000 1.000 6.104 6.104 689 693 1340 1344 -9.845195e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 52 1
61 701.077 1309.008 1.000 1.000 8.105 1.927 4864.643 1156.513 1.000 1.000 6.104 6.104 699 703 1307 1311 -6.204182e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 53 1
62 711.749 1315.001 1.000 1.000 7.996 1.866 4799.511 1119.936 1.000 1.000 6.104 6.104 709 713 1313 1317 -6.347173e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 54 1
63 680.220 1317.398 1.000 1.000 8.317 1.842 4991.946 1105.305 1.000 1.000 6.104 6.104 678 682 1315 1319 -4.977271e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 55 1
64 685.798 1316.799 1.000 1.000 8.260 1.848 4957.899 1108.963 1.000 1.000 6.104 6.104 683 687 1314 1318 -1.321600e+10 +2.381870e+08 +0.000000e+00 0.00000 1 None 56 1
65 660.575 1319.196 1.000 1.000 8.517 1.823 5111.848 1094.332 1.000 1.000 6.104 6.104 658 662 1317 1321 -2.661883e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 57 1
66 662.758 1174.172 1.000 1.000 8.495 3.298 5098.525 1979.490 1.000 1.000 6.104 6.104 660 664 1172 1176 -3.483089e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 58 1
67 683.373 1118.439 1.000 1.000 8.285 3.865 4972.702 2319.654 1.000 1.000 6.104 6.104 681 685 1116 1120 -3.919871e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 59 1
68 712.234 1104.656 1.000 1.000 7.992 4.005 4796.550 2403.781 1.000 1.000 6.104 6.104 710 714 1102 1106 -9.863892e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 60 1
69 671.974 1083.082 1.000 1.000 8.401 4.224 5042.275 2535.457 1.000 1.000 6.104 6.104 669 673 1081 1085 -8.031300e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 61 2
70 671.732 1076.490 1.000 1.000 8.403 4.291 5043.755 2575.691 1.000 1.000 6.104 6.104 669 673 1074 1078 -2.309577e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 61 2
73 1076.181 1318.700 1.000 1.000 4.291 1.828 2575.190 1097.362 1.000 1.000 6.104 6.104 1074 1078 1316 1320 -5.227533e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 63 1
74 1084.381 1315.891 1.000 1.000 4.207 1.857 2525.143 1114.505 1.000 1.000 6.104 6.104 1082 1086 1313 1317 -1.104889e+10 +2.381870e+08 +0.000000e+00 0.00000 1 None 64 1
75 1124.415 1167.029 1.000 1.000 3.800 3.371 2280.795 2023.086 1.000 1.000 6.104 6.104 1122 1126 1165 1169 -3.194117e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 65 1
76 1209.548 1170.400 1.000 1.000 2.934 3.336 1761.187 2002.515 1.000 1.000 6.104 6.104 1207 1211 1168 1172 -1.164884e+10 +2.381870e+08 +0.000000e+00 0.00000 1 None 66 1
77 1178.678 1094.002 1.000 1.000 3.248 4.113 1949.600 2468.805 1.000 1.000 6.104 6.104 1176 1180 1092 1096 -4.741210e+09 +2.381870e+08 +0.000000e+00 0.00000 1 None 67 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 H-aliphatic . . 12500 Hz . . . 4.811 . . 34413 1
2 . . H 1 HN . . 12500 Hz . . . 4.815 . . 34413 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 . . 34413 1
stop_
save_