Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 30956
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 20
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H1
#INAME 2 C13
#INAME 3 H1
#SPECTRUM C13NOESY HC C H
1 6.576 124.531 3.890 0 U 1.687e+06 0.00e+00 a 0 1308 1309 977 0 # HA C46
2 6.576 124.531 2.381 0 U 4.841e+05 0.00e+00 a 0 1308 1309 998 0 # HA K70
3 6.576 124.531 0.931 0 U 9.682e+05 0.00e+00 a 0 1308 1309 1158 0 # HG2 I51
4 6.576 124.531 0.710 0 U 3.266e+06 0.00e+00 a 0 1308 1309 1157 0 # HG2 T45
5 6.576 124.531 0.718 0 U 3.266e+06 0.00e+00 a 0 1308 1309 1077 0 # HD1 L49
6 6.576 124.531 1.000 0 U 8.182e+06 0.00e+00 a 0 1308 1309 1167 0 # HD1 I51
7 6.576 124.531 4.247 0 U 7.108e+06 0.00e+00 a 0 1308 1309 980 0 # HA L49
8 7.221 120.869 2.381 0 U 1.953e+05 0.00e+00 a 0 1324 1325 998 0 # HA K70
9 7.221 120.869 7.675 0 U 1.330e+06 0.00e+00 a 0 1324 1325 1328 0 # HD F62
10 7.221 120.869 6.752 0 U 2.359e+06 0.00e+00 a 0 1324 1325 1306 0 # HD2 H69
11 7.221 120.869 7.428 0 U 2.642e+06 0.00e+00 a 0 1324 1325 1322 0 # HH2 W66
12 7.221 120.869 6.956 0 U 1.561e+06 0.00e+00 a 0 1324 1325 1326 0 # HZ3 W66
13 7.221 120.869 7.199 0 U 8.493e+06 0.00e+00 a 0 1324 1325 1320 0 # HD1 W66
14 7.221 120.869 2.256 0 U 2.241e+05 0.00e+00 a 0 1324 1325 1382 0 # HA C9
15 8.399 139.866 6.487 0 U 1.669e+06 0.00e+00 a 0 1312 1313 1473 0 # HE F56
16 8.399 139.866 6.752 0 U 1.115e+06 0.00e+00 a 0 1312 1313 1306 0 # HD2 H69
17 8.399 139.866 7.428 0 U 1.065e+06 0.00e+00 a 0 1312 1313 1322 0 # HH2 W66
18 8.399 139.866 0.964 0 U 1.968e+06 0.00e+00 a 0 1312 1313 1421 0 # HG3 K70
19 8.399 139.866 1.598 0 U 7.112e+05 0.00e+00 a 0 1312 1313 1070 0 # HG L72
20 8.399 139.866 3.880 0 U 1.120e+07 0.00e+00 a 0 1312 1313 1038 0 # HB S54
21 8.399 139.866 0.791 0 U 2.928e+06 0.00e+00 a 0 1312 1313 1278 0 # HD2 L72
22 8.399 139.866 1.361 0 U 1.792e+06 0.00e+00 a 0 1312 1313 1046 0 # HB3 L72
23 8.399 139.866 4.243 0 U 8.364e+06 0.00e+00 a 0 1312 1313 983 0 # HA S54
24 8.399 139.866 7.293 0 U 2.866e+05 0.00e+00 a 0 1312 1313 1330 0 # HZ F56
25 8.399 139.866 0.792 0 U 2.928e+06 0.00e+00 a 0 1312 1313 1079 0 # HD1 L72
26 7.675 128.716 7.221 0 U 3.855e+06 0.00e+00 a 0 1328 1329 1324 0 # HE3 W66
27 7.675 128.716 3.406 0 U 9.576e+05 0.00e+00 a 0 1328 1329 1266 0 # HD3 P10
28 7.675 128.716 -0.624 0 U 6.817e+05 0.00e+00 a 0 1328 1329 1057 0 # HD2 L12
29 7.675 128.716 0.336 0 U 2.439e+04 0.00e+00 a 0 1328 1329 1072 0 # HD1 L12
30 7.675 128.716 1.936 0 U 1.962e+06 0.00e+00 a 0 1328 1329 1114 0 # HB2 Q59
31 7.675 128.716 6.752 0 U 3.015e+06 0.00e+00 a 0 1328 1329 1306 0 # HD2 H69
32 7.675 128.716 7.428 0 U 1.133e+06 0.00e+00 a 0 1328 1329 1322 0 # HH2 W66
33 7.675 128.716 3.068 0 U 1.661e+06 0.00e+00 a 0 1328 1329 1135 0 # HB3 F56
34 7.675 128.716 5.970 0 U 5.454e+04 0.00e+00 a 0 1328 1329 985 0 # HA F56
35 7.675 128.716 6.956 0 U 2.138e+06 0.00e+00 a 0 1328 1329 1326 0 # HZ3 W66
36 7.675 128.716 2.835 0 U 1.376e+06 0.00e+00 a 0 1328 1329 1139 0 # HB3 F62
37 7.675 128.716 6.004 0 U 5.454e+04 0.00e+00 a 0 1328 1329 1332 0 # HD F56
38 7.675 128.716 6.719 0 U 2.930e+06 0.00e+00 a 0 1328 1329 1439 0 # HE F62
39 7.675 128.716 2.208 0 U 6.063e+05 0.00e+00 a 0 1328 1329 1112 0 # HB2 F56
40 7.675 128.716 7.293 0 U 8.582e+05 0.00e+00 a 0 1328 1329 1330 0 # HZ F56
41 6.752 127.127 7.221 0 U 7.928e+06 0.00e+00 a 0 1306 1307 1324 0 # HE3 W66
42 6.752 127.127 2.381 0 U 2.657e+06 0.00e+00 a 0 1306 1307 998 0 # HA K70
43 6.752 127.127 7.675 0 U 2.727e+06 0.00e+00 a 0 1306 1307 1328 0 # HD F62
44 6.752 127.127 7.296 0 U 3.355e+06 0.00e+00 a 0 1306 1307 1298 0 # HZ2 W66
45 7.428 123.935 7.221 0 U 3.888e+06 0.00e+00 a 0 1322 1323 1324 0 # HE3 W66
46 7.428 123.935 3.406 0 U 1.520e+06 0.00e+00 a 0 1322 1323 1266 0 # HD3 P10
47 7.428 123.935 7.675 0 U 1.057e+06 0.00e+00 a 0 1322 1323 1328 0 # HD F62
48 7.428 123.935 -0.521 0 U 3.467e+05 0.00e+00 a 0 1322 1323 1119 0 # HB2 K70
49 7.428 123.935 6.956 0 U 9.438e+05 0.00e+00 a 0 1322 1323 1326 0 # HZ3 W66
50 7.428 123.935 7.199 0 U 4.002e+06 0.00e+00 a 0 1322 1323 1320 0 # HD1 W66
51 7.428 123.935 7.296 0 U 1.145e+07 0.00e+00 a 0 1322 1323 1298 0 # HZ2 W66
52 7.428 123.935 2.256 0 U 9.418e+05 0.00e+00 a 0 1322 1323 1382 0 # HA C9
53 6.698 117.659 -0.624 0 U 5.588e+04 0.00e+00 a 0 1316 1317 1057 0 # HD2 L12
54 6.698 117.659 2.357 0 U 1.480e+06 0.00e+00 a 0 1316 1317 1073 0 # HD2 R28
55 6.698 117.659 2.458 0 U 1.514e+06 0.00e+00 a 0 1316 1317 1288 0 # HD3 R28
56 6.698 117.659 3.256 0 U 1.877e+06 0.00e+00 a 0 1316 1317 1092 0 # HA2 G53
57 6.698 117.659 0.697 0 U 2.840e+06 0.00e+00 a 0 1316 1317 1150 0 # HG2 I15
58 6.698 117.659 0.371 0 U 2.154e+06 0.00e+00 a 0 1316 1317 1166 0 # HD1 I15
59 6.698 117.659 6.910 0 U 2.920e+07 0.00e+00 a 0 1316 1317 1304 0 # HD Y55
60 6.698 117.659 5.067 0 U 2.305e+05 0.00e+00 a 0 1316 1317 973 0 # HA L41
61 6.698 117.659 3.849 0 U 1.065e+06 0.00e+00 a 0 1316 1317 1096 0 # HA3 G53
62 8.183 137.735 6.576 0 U 1.447e+06 0.00e+00 a 0 1310 1311 1308 0 # HD2 H73
63 8.183 137.735 7.221 0 U 1.262e+07 0.00e+00 a 0 1310 1311 1324 0 # HE3 W66
64 8.183 137.735 3.121 0 U 1.715e+06 0.00e+00 a 0 1310 1311 1121 0 # HB2 H73
65 8.183 137.735 2.381 0 U 2.878e+06 0.00e+00 a 0 1310 1311 998 0 # HA K70
66 8.183 137.735 3.867 0 U 2.984e+06 0.00e+00 a 0 1310 1311 976 0 # HA T45
67 8.183 137.735 7.675 0 U 2.227e+06 0.00e+00 a 0 1310 1311 1328 0 # HD F62
68 8.183 137.735 0.971 0 U 1.320e+06 0.00e+00 a 0 1310 1311 1141 0 # HB3 K70
69 8.183 137.735 0.710 0 U 7.907e+06 0.00e+00 a 0 1310 1311 1157 0 # HG2 T45
70 8.183 137.735 6.752 0 U 6.455e+06 0.00e+00 a 0 1310 1311 1306 0 # HD2 H69
71 8.183 137.735 7.428 0 U 1.596e+07 0.00e+00 a 0 1310 1311 1322 0 # HH2 W66
72 8.183 137.735 -0.521 0 U 9.078e+05 0.00e+00 a 0 1310 1311 1119 0 # HB2 K70
73 8.183 137.735 6.956 0 U 2.230e+06 0.00e+00 a 0 1310 1311 1326 0 # HZ3 W66
74 8.183 137.735 3.636 0 U 1.487e+07 0.00e+00 a 0 1310 1311 1032 0 # HB T45
75 8.183 137.735 7.296 0 U 7.220e+06 0.00e+00 a 0 1310 1311 1298 0 # HZ2 W66
76 8.183 137.735 3.373 0 U 1.047e+06 0.00e+00 a 0 1310 1311 1143 0 # HB3 H73
77 6.956 122.388 7.221 0 U 8.414e+05 0.00e+00 a 0 1326 1327 1324 0 # HE3 W66
78 6.956 122.388 2.381 0 U 2.215e+05 0.00e+00 a 0 1326 1327 998 0 # HA K70
79 6.956 122.388 7.675 0 U 5.902e+05 0.00e+00 a 0 1326 1327 1328 0 # HD F62
80 6.956 122.388 7.428 0 U 4.697e+04 0.00e+00 a 0 1326 1327 1322 0 # HH2 W66
81 6.956 122.388 7.199 0 U 8.414e+05 0.00e+00 a 0 1326 1327 1320 0 # HD1 W66
82 6.004 126.016 6.487 0 U 1.454e+06 0.00e+00 a 0 1332 1333 1473 0 # HE F56
83 6.004 126.016 7.675 0 U 1.222e+06 0.00e+00 a 0 1332 1333 1328 0 # HD F62
84 6.004 126.016 3.068 0 U 4.090e+06 0.00e+00 a 0 1332 1333 1135 0 # HB3 F56
85 6.004 126.016 5.970 0 U 4.226e+07 0.00e+00 a 0 1332 1333 985 0 # HA F56
86 6.004 126.016 2.208 0 U 1.924e+06 0.00e+00 a 0 1332 1333 1112 0 # HB2 F56
87 6.004 126.016 7.293 0 U 5.437e+05 0.00e+00 a 0 1332 1333 1330 0 # HZ F56
88 6.910 132.492 0.853 0 U 2.882e+06 0.00e+00 a 0 1304 1305 1030 0 # HB A39
89 6.910 132.492 2.556 0 U 6.896e+06 0.00e+00 a 0 1304 1305 1375 0 # HB2 Y55
90 6.910 132.492 2.357 0 U 1.720e+06 0.00e+00 a 0 1304 1305 1073 0 # HD2 R28
91 6.910 132.492 2.458 0 U 1.893e+06 0.00e+00 a 0 1304 1305 1288 0 # HD3 R28
92 6.910 132.492 6.698 0 U 3.252e+07 0.00e+00 a 0 1304 1305 1316 0 # HE Y55
93 6.910 132.492 5.446 0 U 2.505e+06 0.00e+00 a 0 1304 1305 974 0 # HA Q42
94 6.910 132.492 0.697 0 U 1.730e+06 0.00e+00 a 0 1304 1305 1150 0 # HG2 I15
95 6.910 132.492 0.371 0 U 3.568e+06 0.00e+00 a 0 1304 1305 1166 0 # HD1 I15
96 6.910 132.492 5.314 0 U 3.954e+06 0.00e+00 a 0 1304 1305 984 0 # HA Y55
97 6.910 132.492 2.642 0 U 7.729e+06 0.00e+00 a 0 1304 1305 1366 0 # HB3 Y55
98 6.910 132.492 5.067 0 U 1.933e+05 0.00e+00 a 0 1304 1305 973 0 # HA L41
99 7.199 127.254 7.221 0 U 1.469e+08 0.00e+00 a 0 1320 1321 1324 0 # HE3 W66
100 7.199 127.254 2.381 0 U 8.638e+04 0.00e+00 a 0 1320 1321 998 0 # HA K70
101 7.199 127.254 1.173 0 U 2.285e+06 0.00e+00 a 0 1320 1321 1380 0 # HB2 C9
102 7.199 127.254 0.971 0 U 1.882e+06 0.00e+00 a 0 1320 1321 1141 0 # HB3 K70
103 7.199 127.254 7.428 0 U 1.460e+06 0.00e+00 a 0 1320 1321 1322 0 # HH2 W66
104 7.199 127.254 6.956 0 U 1.300e+06 0.00e+00 a 0 1320 1321 1326 0 # HZ3 W66
105 7.296 115.726 3.406 0 U 8.707e+05 0.00e+00 a 0 1298 1299 1266 0 # HD3 P10
106 7.296 115.726 0.971 0 U 1.537e+06 0.00e+00 a 0 1298 1299 1141 0 # HB3 K70
107 7.296 115.726 4.578 0 U 3.038e+05 0.00e+00 a 0 1298 1299 943 0 # HA D8
108 7.296 115.726 6.752 0 U 4.529e+05 0.00e+00 a 0 1298 1299 1306 0 # HD2 H69
109 7.296 115.726 7.428 0 U 9.927e+06 0.00e+00 a 0 1298 1299 1322 0 # HH2 W66
110 7.296 115.726 -0.521 0 U 8.502e+05 0.00e+00 a 0 1298 1299 1119 0 # HB2 K70
111 7.296 115.726 2.769 0 U 1.218e+06 0.00e+00 a 0 1298 1299 1118 0 # HB2 H69
112 7.296 115.726 2.256 0 U 1.001e+06 0.00e+00 a 0 1298 1299 1382 0 # HA C9
113 6.810 118.244 -0.521 0 U 6.145e+05 0.00e+00 a 0 1314 1315 1119 0 # HB2 K70
114 7.057 132.925 -0.521 0 U 4.820e+05 0.00e+00 a 0 1303 1302 1119 0 # HB2 K70
115 7.119 129.384 6.487 0 U 2.170e+06 0.00e+00 a 0 1508 1509 1473 0 # HE F56
116 7.119 129.384 7.293 0 U 7.420e+05 0.00e+00 a 0 1508 1509 1330 0 # HZ F56
117 6.576 124.531 6.576 0 U 1.129e+08 0.00e+00 a 0 1308 1309 1308 0 # HD2 H73
118 7.221 120.869 7.221 0 U 5.224e+06 0.00e+00 a 0 1324 1325 1324 0 # HE3 W66
119 8.399 139.866 8.399 0 U 1.380e+08 0.00e+00 a 0 1312 1313 1312 0 # HE1 H69
120 7.675 128.716 7.675 0 U 1.573e+07 0.00e+00 a 0 1328 1329 1328 0 # HD F62
121 6.752 127.127 6.752 0 U 6.879e+07 0.00e+00 a 0 1306 1307 1306 0 # HD2 H69
122 7.428 123.935 7.428 0 U 3.197e+07 0.00e+00 a 0 1322 1323 1322 0 # HH2 W66
123 6.698 117.659 6.698 0 U 1.657e+08 0.00e+00 a 0 1316 1317 1316 0 # HE Y55
124 8.183 137.735 8.183 0 U 1.120e+08 0.00e+00 a 0 1310 1311 1310 0 # HE1 H73
125 6.956 122.388 6.956 0 U 1.503e+07 0.00e+00 a 0 1326 1327 1326 0 # HZ3 W66
126 6.004 126.016 6.004 0 U 3.203e+07 0.00e+00 a 0 1332 1333 1332 0 # HD F56
127 6.910 132.492 6.910 0 U 1.061e+08 0.00e+00 a 0 1304 1305 1304 0 # HD Y55
128 7.199 127.254 7.199 0 U 9.069e+07 0.00e+00 a 0 1320 1321 1320 0 # HD1 W66
129 7.296 115.726 7.296 0 U 5.183e+07 0.00e+00 a 0 1298 1299 1298 0 # HZ2 W66
130 7.119 129.384 7.119 0 U 1.437e+07 0.00e+00 a 0 1508 1509 1508 0 # HZ 1026
;
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-aromatic . . 8196.721 Hz . . . 4.771 . . 30956 3
2 . . H 1 C-aromatic . . 5278.921 Hz . . . 127.723 . . 30956 3
3 . . H 1 H . . 7017.693 Hz . . . 4.771 . . 30956 3
stop_
save_