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 34416
_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 *
1 644.950 1101.177 1.000 1.000 8.611 3.948 5168.188 2369.798 1.000 1.000 6.104 6.104 643 646 1099 1102 +1.184775e+10 +1.724243e+08 +0.000000e+00 0.00000 1 None 1 1
2 691.805 1095.596 1.000 1.000 8.134 4.005 4882.209 2403.861 1.000 1.000 6.104 6.104 690 693 1094 1097 +3.599715e+09 +1.724243e+08 +0.000000e+00 0.00000 1 None 2 2
3 696.452 1107.874 1.000 1.000 8.087 3.880 4853.848 2328.923 1.000 1.000 6.104 6.104 694 697 1106 1109 +1.055753e+10 +1.724243e+08 +0.000000e+00 0.00000 1 None 3 2
4 696.258 1117.361 1.000 1.000 8.089 3.784 4855.030 2271.017 1.000 1.000 6.104 6.104 694 697 1115 1118 +1.069424e+10 +1.724243e+08 +0.000000e+00 0.00000 1 None 3 2
5 707.681 1111.780 1.000 1.000 7.973 3.841 4785.308 2305.079 1.000 1.000 6.104 6.104 706 709 1110 1113 +4.421398e+09 +1.724243e+08 +0.000000e+00 0.00000 1 None 4 2
6 709.424 1117.361 1.000 1.000 7.955 3.784 4774.672 2271.017 1.000 1.000 6.104 6.104 707 710 1115 1118 +2.679814e+09 +1.724243e+08 +0.000000e+00 0.00000 1 None 4 2
7 727.236 1098.386 1.000 1.000 7.774 3.977 4665.954 2386.829 1.000 1.000 6.104 6.104 725 728 1096 1099 +9.471329e+08 +1.724240e+08 +0.000000e+00 0.00000 1 None 5 1
8 738.079 1096.154 1.000 1.000 7.664 3.999 4599.777 2400.454 1.000 1.000 6.104 6.104 736 739 1094 1097 +1.694748e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 6 2
9 717.168 1060.995 1.000 1.000 7.876 4.357 4727.403 2615.048 1.000 1.000 6.104 6.104 715 718 1059 1062 +1.806476e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 7 1
10 652.114 1076.063 1.000 1.000 8.538 4.204 5124.463 2523.080 1.000 1.000 6.104 6.104 650 653 1074 1077 +1.470767e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 8 1
11 676.510 1077.737 1.000 1.000 8.290 4.187 4975.566 2512.860 1.000 1.000 6.104 6.104 675 678 1076 1079 +1.041710e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 9 1
12 676.703 1122.384 1.000 1.000 8.288 3.733 4974.384 2240.361 1.000 1.000 6.104 6.104 675 678 1120 1123 +4.654811e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 10 1
14 675.929 1327.758 1.000 1.000 8.296 1.644 4979.111 986.859 1.000 1.000 6.104 6.104 674 677 1326 1329 +1.563446e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 12 4
15 669.346 1328.316 1.000 1.000 8.363 1.639 5019.290 983.452 1.000 1.000 6.104 6.104 667 670 1326 1329 +2.440972e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 13 1
16 692.386 1327.199 1.000 1.000 8.128 1.650 4878.665 990.265 1.000 1.000 6.104 6.104 690 693 1325 1328 +4.005401e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 14 3
17 695.096 1408.679 1.000 1.000 8.101 0.821 4862.120 492.951 1.000 1.000 6.104 6.104 693 696 1407 1410 +5.391644e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 14 3
18 675.348 1403.657 1.000 1.000 8.302 0.872 4982.656 523.608 1.000 1.000 6.104 6.104 673 676 1402 1405 +4.074783e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 15 1
19 675.154 1302.086 1.000 1.000 8.304 1.905 4983.838 1143.547 1.000 1.000 6.104 6.104 673 676 1300 1303 +2.063073e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 12 4
20 708.069 1344.500 1.000 1.000 7.969 1.474 4782.944 884.671 1.000 1.000 6.104 6.104 706 709 1343 1346 +4.139128e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 16 1
21 703.228 1346.174 1.000 1.000 8.018 1.457 4812.488 874.452 1.000 1.000 6.104 6.104 701 704 1344 1347 +4.200488e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 17 1
22 715.232 1331.106 1.000 1.000 7.896 1.610 4739.220 966.421 1.000 1.000 6.104 6.104 713 716 1329 1332 +8.692265e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 18 1
23 720.847 1346.174 1.000 1.000 7.839 1.457 4704.950 874.452 1.000 1.000 6.104 6.104 719 722 1344 1347 +7.877626e+08 +1.724240e+08 +0.000000e+00 0.00000 1 None 19 1
24 661.214 1404.773 1.000 1.000 8.445 0.861 5068.922 516.795 1.000 1.000 6.104 6.104 659 662 1403 1406 +7.153064e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 20 1
25 727.236 1285.343 1.000 1.000 7.774 2.076 4665.954 1245.734 1.000 1.000 6.104 6.104 725 728 1283 1286 +2.950391e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 21 1
26 727.624 1406.447 1.000 1.000 7.770 0.844 4663.590 506.576 1.000 1.000 6.104 6.104 726 729 1404 1407 +1.924256e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 22 1
27 727.236 1060.995 1.000 1.000 7.774 4.357 4665.954 2615.048 1.000 1.000 6.104 6.104 725 728 1059 1062 +1.508227e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 23 1
28 715.620 1160.891 1.000 1.000 7.892 3.341 4736.857 2005.329 1.000 1.000 6.104 6.104 714 717 1159 1162 +1.464309e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 24 2
29 716.588 1175.960 1.000 1.000 7.882 3.188 4730.948 1913.360 1.000 1.000 6.104 6.104 715 718 1174 1177 +1.607899e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 24 2
30 716.975 1098.944 1.000 1.000 7.878 3.971 4728.585 2383.423 1.000 1.000 6.104 6.104 715 718 1097 1100 +4.947214e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 25 1
31 721.762 730.131 1.000 1.000 7.830 7.722 4699.365 4634.480 1.000 1.000 6.104 6.104 720 723 728 731 +1.232149e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 26 1
32 652.057 697.000 1.000 1.000 8.539 8.058 5124.812 4836.697 1.000 1.000 6.104 6.104 650 653 695 698 +2.160405e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 27 3
33 652.531 673.394 1.000 1.000 8.534 8.299 5121.917 4980.777 1.000 1.000 6.104 6.104 651 654 671 674 +1.080451e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 27 3
34 649.449 658.899 1.000 1.000 8.565 8.446 5140.730 5069.248 1.000 1.000 6.104 6.104 647 650 657 660 +2.347450e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 28 1
35 657.747 705.697 1.000 1.000 8.481 7.970 5090.082 4783.615 1.000 1.000 6.104 6.104 656 659 704 707 +3.936156e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 29 1
36 674.818 697.828 1.000 1.000 8.307 8.050 4985.891 4831.642 1.000 1.000 6.104 6.104 673 676 696 699 +2.699571e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 30 1
37 667.705 700.313 1.000 1.000 8.379 8.025 5029.304 4816.476 1.000 1.000 6.104 6.104 666 669 698 701 +5.518037e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 31 1
38 673.632 707.768 1.000 1.000 8.319 7.949 4993.126 4770.977 1.000 1.000 6.104 6.104 672 675 706 709 +2.345564e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 32 1
39 678.374 735.929 1.000 1.000 8.271 7.663 4964.184 4599.091 1.000 1.000 6.104 6.104 676 679 734 737 +1.700350e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 33 1
40 690.466 707.354 1.000 1.000 8.148 7.953 4890.382 4773.504 1.000 1.000 6.104 6.104 688 691 705 708 +3.858852e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 34 2
41 688.095 714.808 1.000 1.000 8.172 7.877 4904.853 4728.005 1.000 1.000 6.104 6.104 686 689 713 716 +1.525910e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 34 2
42 692.837 717.293 1.000 1.000 8.124 7.852 4875.911 4712.839 1.000 1.000 6.104 6.104 691 694 715 718 +1.961388e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 35 1
43 649.923 675.050 1.000 1.000 8.560 8.282 5137.836 4970.667 1.000 1.000 6.104 6.104 648 651 673 676 +1.325840e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 27 3
44 676.207 1346.168 1.000 1.000 8.293 1.457 4977.415 874.490 1.000 1.000 6.104 6.104 674 677 1344 1347 +2.079252e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 12 4
45 653.967 1328.593 1.000 1.000 8.519 1.636 5113.152 981.757 1.000 1.000 6.104 6.104 652 655 1327 1330 +7.540852e+08 +1.724240e+08 +0.000000e+00 0.00000 1 None 36 1
46 1098.747 1297.475 1.000 1.000 3.996 1.952 2398.431 1171.690 1.000 1.000 6.104 6.104 1097 1100 1295 1298 +2.105128e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 37 2
47 1121.258 1328.283 1.000 1.000 3.767 1.639 2261.036 983.653 1.000 1.000 6.104 6.104 1119 1122 1326 1329 +3.518495e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 38 1
48 1110.299 1346.465 1.000 1.000 3.879 1.454 2327.925 872.680 1.000 1.000 6.104 6.104 1108 1111 1344 1347 +4.607814e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 39 1
49 1117.111 1345.455 1.000 1.000 3.809 1.464 2286.345 878.845 1.000 1.000 6.104 6.104 1115 1118 1343 1346 +4.421136e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 40 1
50 1115.630 1305.051 1.000 1.000 3.824 1.875 2295.384 1125.451 1.000 1.000 6.104 6.104 1114 1117 1303 1306 +2.711963e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 41 1
51 737.500 1074.500 1.000 1.000 7.670 4.220 4603.310 2532.620 1.000 1.000 6.104 6.104 736 739 1073 1076 +1.153696e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 42 1
52 737.750 1120.157 1.000 1.000 7.667 3.755 4601.784 2253.954 1.000 1.000 6.104 6.104 736 739 1118 1121 +1.176232e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 6 2
53 695.500 1402.657 1.000 1.000 8.097 0.883 4859.657 529.711 1.000 1.000 6.104 6.104 694 697 1401 1404 +8.064422e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 14 3
54 694.250 1089.909 1.000 1.000 8.109 4.063 4867.287 2438.571 1.000 1.000 6.104 6.104 692 695 1088 1091 +1.979053e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 2 2
55 674.250 1309.631 1.000 1.000 8.313 1.829 4989.357 1097.492 1.000 1.000 6.104 6.104 672 675 1308 1311 +1.087761e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 12 4
57 1096.998 1116.091 1.000 1.000 4.014 3.797 2409.108 2278.769 1.000 1.000 6.104 6.104 1094 1098 1114 1118 +6.241687e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 37 2
59 1299.372 1083.364 1.000 1.000 1.956 4.129 1173.918 2478.521 1.000 1.000 6.104 6.104 1297 1301 1081 1085 +1.516292e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 45 1
60 1069.191 1316.818 1.000 1.000 4.297 1.755 2578.829 1053.627 1.000 1.000 6.104 6.104 1067 1071 1314 1318 +1.672611e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 46 1
61 1098.285 1328.818 1.000 1.000 4.001 1.633 2401.251 980.385 1.000 1.000 6.104 6.104 1096 1100 1326 1330 +6.454411e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 47 1
62 1100.603 1345.727 1.000 1.000 3.977 1.461 2387.108 877.180 1.000 1.000 6.104 6.104 1098 1102 1343 1347 +4.160480e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 48 1
63 1108.327 1303.727 1.000 1.000 3.899 1.889 2339.962 1133.528 1.000 1.000 6.104 6.104 1106 1110 1301 1305 +3.058473e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 49 1
64 1207.454 1298.818 1.000 1.000 2.891 1.939 1734.939 1163.490 1.000 1.000 6.104 6.104 1205 1209 1296 1300 +4.728225e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 50 1
65 668.022 1118.313 1.000 1.000 8.376 3.774 5027.371 2265.206 1.000 1.000 6.104 6.104 666 670 1116 1120 +7.512447e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 51 1
66 677.499 1095.293 1.000 1.000 8.280 4.008 4969.529 2405.710 1.000 1.000 6.104 6.104 675 679 1093 1097 +6.450882e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 52 1
67 701.717 1324.960 1.000 1.000 8.034 1.673 4821.709 1003.936 1.000 1.000 6.104 6.104 699 703 1322 1326 +5.279097e+09 +1.724240e+08 +0.000000e+00 0.00000 1 None 53 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 . . . 4.746 . . 34416 1
2 . . H 1 HN . . 12500 Hz . . . 4.723 . . 34416 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 . . 34416 1
stop_
save_