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 34412
_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 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 *
1 677.813 1134.081 1.000 1.000 8.338 3.702 5004.236 2221.786 1.000 1.000 6.104 6.104 676 679 1132 1135 -1.929678e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 1 1
2 699.987 1132.977 1.000 1.000 8.112 3.713 4868.897 2228.521 1.000 1.000 6.104 6.104 698 701 1131 1134 -2.230223e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 2 1
3 731.689 1135.736 1.000 1.000 7.790 3.685 4675.405 2211.683 1.000 1.000 6.104 6.104 730 733 1134 1137 -2.554975e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 3 1
4 719.909 1105.389 1.000 1.000 7.909 3.994 4747.304 2396.907 1.000 1.000 6.104 6.104 718 721 1103 1106 -1.300003e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 4 1
5 731.516 1105.941 1.000 1.000 7.791 3.988 4676.462 2393.540 1.000 1.000 6.104 6.104 730 733 1104 1107 -2.957458e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 5 1
6 724.240 1095.457 1.000 1.000 7.865 4.095 4720.870 2457.527 1.000 1.000 6.104 6.104 722 725 1093 1096 -2.070174e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 6 1
7 696.869 1100.975 1.000 1.000 8.144 4.038 4887.929 2423.850 1.000 1.000 6.104 6.104 695 698 1099 1102 -4.083871e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 7 1
8 703.971 1096.561 1.000 1.000 8.072 4.083 4844.578 2450.792 1.000 1.000 6.104 6.104 702 705 1095 1098 -1.107540e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 8 1
9 684.743 1109.803 1.000 1.000 8.267 3.949 4961.942 2369.966 1.000 1.000 6.104 6.104 683 686 1108 1111 -6.860019e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 9 1
10 678.160 1089.388 1.000 1.000 8.334 4.156 5002.121 2494.572 1.000 1.000 6.104 6.104 676 679 1087 1090 -1.576661e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 10 1
11 653.907 1087.732 1.000 1.000 8.581 4.173 5150.148 2504.675 1.000 1.000 6.104 6.104 652 655 1086 1089 -7.913028e+08 +1.001824e+08 +0.000000e+00 0.00000 1 None 11 1
12 653.734 1172.153 1.000 1.000 8.582 3.315 5151.206 1989.413 1.000 1.000 6.104 6.104 652 655 1170 1173 -3.550379e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 12 1
13 696.349 1076.697 1.000 1.000 8.149 4.285 4891.101 2572.029 1.000 1.000 6.104 6.104 694 697 1075 1078 -3.834526e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 13 1
14 704.318 1077.801 1.000 1.000 8.068 4.274 4842.464 2565.294 1.000 1.000 6.104 6.104 702 705 1076 1079 -1.971663e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 14 1
15 719.562 1259.332 1.000 1.000 7.913 2.428 4749.418 1457.313 1.000 1.000 6.104 6.104 718 721 1257 1260 -1.252365e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 15 1
16 735.154 1305.681 1.000 1.000 7.754 1.957 4654.258 1174.424 1.000 1.000 6.104 6.104 733 736 1304 1307 -6.785942e+08 +1.001824e+08 +0.000000e+00 0.00000 1 None 16 4
17 735.154 1332.717 1.000 1.000 7.754 1.682 4654.258 1009.406 1.000 1.000 6.104 6.104 733 736 1331 1334 -7.156374e+08 +1.001824e+08 +0.000000e+00 0.00000 1 None 16 4
18 703.971 1271.471 1.000 1.000 8.072 2.305 4844.578 1383.223 1.000 1.000 6.104 6.104 702 705 1269 1272 -1.087505e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 17 2
19 704.145 1300.715 1.000 1.000 8.070 2.007 4843.521 1204.734 1.000 1.000 6.104 6.104 702 705 1299 1302 -4.223030e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 17 2
20 684.743 1306.232 1.000 1.000 8.267 1.951 4961.942 1171.057 1.000 1.000 6.104 6.104 683 686 1304 1307 -3.139127e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 18 1
21 723.374 1333.269 1.000 1.000 7.874 1.676 4726.157 1006.038 1.000 1.000 6.104 6.104 721 724 1331 1334 -3.541141e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 19 1
22 677.467 1306.784 1.000 1.000 8.341 1.946 5006.351 1167.689 1.000 1.000 6.104 6.104 675 678 1305 1308 -2.017984e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 20 1
23 700.507 1110.907 1.000 1.000 8.107 3.937 4865.725 2363.230 1.000 1.000 6.104 6.104 699 702 1109 1112 -3.892331e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 21 1
24 704.838 1108.148 1.000 1.000 8.063 3.965 4839.292 2380.069 1.000 1.000 6.104 6.104 703 706 1106 1109 -3.146335e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 22 1
25 720.255 1134.081 1.000 1.000 7.906 3.702 4745.189 2221.786 1.000 1.000 6.104 6.104 718 721 1132 1135 -2.653827e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 23 1
26 734.980 1352.581 1.000 1.000 7.756 1.480 4655.315 888.168 1.000 1.000 6.104 6.104 733 736 1351 1354 -7.826076e+08 +1.001824e+08 +0.000000e+00 0.00000 1 None 16 4
27 724.067 1359.202 1.000 1.000 7.867 1.412 4721.928 847.755 1.000 1.000 6.104 6.104 722 725 1357 1360 -2.073529e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 24 1
28 718.003 1411.068 1.000 1.000 7.929 0.885 4758.934 531.189 1.000 1.000 6.104 6.104 716 719 1409 1412 -2.741095e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 25 1
29 732.209 1411.068 1.000 1.000 7.784 0.885 4672.233 531.189 1.000 1.000 6.104 6.104 730 733 1409 1412 -1.828346e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 26 1
30 684.396 1410.516 1.000 1.000 8.271 0.891 4964.057 534.557 1.000 1.000 6.104 6.104 682 685 1409 1412 -5.288266e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 27 1
31 678.506 1410.516 1.000 1.000 8.331 0.891 5000.007 534.557 1.000 1.000 6.104 6.104 677 680 1409 1412 -3.530778e+09 +1.001824e+08 +0.000000e+00 0.00000 1 None 28 1
32 681.451 1037.521 1.000 1.000 8.301 4.684 4982.032 2811.137 1.000 1.000 6.104 6.104 679 682 1036 1039 -8.420429e+08 +1.001824e+08 +0.000000e+00 0.00000 1 None 29 1
33 654.065 696.242 1.000 1.000 8.579 8.154 5149.182 4894.140 1.000 1.000 6.104 6.104 652 655 694 697 -3.064782e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 30 3
34 684.391 731.303 1.000 1.000 8.271 7.798 4964.086 4680.146 1.000 1.000 6.104 6.104 682 685 729 732 -2.696174e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 31 2
35 654.065 682.455 1.000 1.000 8.579 8.294 5149.182 4978.294 1.000 1.000 6.104 6.104 652 655 680 683 -1.421475e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 30 3
36 677.543 695.455 1.000 1.000 8.340 8.162 5005.882 4898.948 1.000 1.000 6.104 6.104 676 679 693 696 -3.541442e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 32 1
37 696.130 719.091 1.000 1.000 8.151 7.922 4892.437 4754.684 1.000 1.000 6.104 6.104 694 697 717 720 -8.081743e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 33 1
38 650.739 685.212 1.000 1.000 8.613 8.266 5169.483 4961.463 1.000 1.000 6.104 6.104 649 652 683 686 -1.212189e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 30 3
39 723.326 736.818 1.000 1.000 7.875 7.742 4726.447 4646.485 1.000 1.000 6.104 6.104 721 724 735 738 -2.203771e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 34 1
40 707.478 733.273 1.000 1.000 8.036 7.778 4823.175 4668.125 1.000 1.000 6.104 6.104 705 708 731 734 -1.427575e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 35 1
41 704.348 719.485 1.000 1.000 8.068 7.918 4842.281 4752.279 1.000 1.000 6.104 6.104 702 705 717 720 -4.012128e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 36 1
42 684.783 704.121 1.000 1.000 8.267 8.074 4961.698 4846.051 1.000 1.000 6.104 6.104 683 686 702 705 -1.602337e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 37 1
43 679.109 732.091 1.000 1.000 8.324 7.790 4996.329 4675.338 1.000 1.000 6.104 6.104 677 680 730 733 -1.816379e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 38 1
44 683.217 725.394 1.000 1.000 8.283 7.858 4971.251 4716.213 1.000 1.000 6.104 6.104 681 684 723 726 -1.001231e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 31 2
45 678.326 725.394 1.000 1.000 8.332 7.858 5001.105 4716.213 1.000 1.000 6.104 6.104 676 679 723 726 -8.972878e+08 +1.001820e+08 +0.000000e+00 0.00000 1 None 39 1
46 662.674 689.545 1.000 1.000 8.492 8.222 5096.639 4935.015 1.000 1.000 6.104 6.104 661 664 688 691 -1.080264e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 40 1
47 732.529 1333.534 1.000 1.000 7.781 1.673 4670.280 1004.420 1.000 1.000 6.104 6.104 731 734 1332 1335 -1.607566e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 16 4
48 695.385 1320.308 1.000 1.000 8.159 1.808 4896.985 1085.145 1.000 1.000 6.104 6.104 693 696 1318 1321 -3.306620e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 41 1
49 683.664 1318.721 1.000 1.000 8.278 1.824 4968.523 1094.832 1.000 1.000 6.104 6.104 682 685 1317 1320 -1.797220e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 42 1
50 703.639 1332.476 1.000 1.000 8.075 1.684 4846.606 1010.878 1.000 1.000 6.104 6.104 702 705 1330 1333 -9.529660e+08 +1.001820e+08 +0.000000e+00 0.00000 1 None 43 1
51 674.420 1175.351 1.000 1.000 8.372 3.282 5024.947 1969.893 1.000 1.000 6.104 6.104 672 675 1173 1176 -9.071216e+08 +1.001820e+08 +0.000000e+00 0.00000 1 None 44 1
52 1076.734 1410.293 1.000 1.000 4.281 0.893 2569.414 535.921 1.000 1.000 6.104 6.104 1075 1078 1408 1411 -1.080046e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 45 1
53 1222.828 1077.970 1.000 1.000 2.795 4.272 1677.729 2564.261 1.000 1.000 6.104 6.104 1221 1224 1076 1079 -8.080489e+08 +1.001820e+08 +0.000000e+00 0.00000 1 None 46 1
54 1230.531 1077.970 1.000 1.000 2.717 4.272 1630.713 2564.261 1.000 1.000 6.104 6.104 1229 1232 1076 1079 -9.120890e+08 +1.001820e+08 +0.000000e+00 0.00000 1 None 47 1
55 1107.812 1135.040 1.000 1.000 3.965 3.692 2379.729 2215.929 1.000 1.000 6.104 6.104 1106 1109 1133 1136 -7.082542e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 48 1
56 1089.750 1109.283 1.000 1.000 4.149 3.954 2489.973 2373.141 1.000 1.000 6.104 6.104 1088 1091 1107 1110 -2.661249e+09 +1.001820e+08 +0.000000e+00 0.00000 1 None 49 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 . . . 4.807 . . 34412 1
2 . . H 1 HN . . 12500 Hz . . . 4.811 . . 34412 1
stop_
save_