Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30445
_Spectral_peak_list.ID 2
_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.Experiment_ID 3
_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
# INAME 1 1H
# INAME 2 1H
# INAME 3 13C
2 7.314 7.314 114.705 1 U 1.604e+05 0.00e+00 m 0 1094 1094 1090 0
4 7.222 7.222 127.129 1 U 1.890e+05 0.00e+00 m 0 1087 1087 1082 0
6 6.849 6.849 124.282 1 U 1.041e+05 0.00e+00 m 0 1095 1095 1093 0
8 6.779 6.779 121.435 1 U 5.592e+04 0.00e+00 m 0 1092 1092 1089 0
9 7.548 7.548 120.400 1 U 5.717e+04 0.00e+00 m 0 1088 1088 1084 0
12 7.222 10.012 127.129 3 U 1.402e+04 0.00e+00 m 0 1087 1091 1082 0
13 7.548 6.779 120.400 3 U 7.260e+03 0.00e+00 m 0 1088 1092 1084 0
14 7.548 7.964 120.400 3 U 1.140e+03 0.00e+00 m 0 1088 1074 1084 0
15 7.548 8.884 120.400 3 U 2.462e+03 0.00e+00 m 0 1088 1098 1084 0
16 6.779 7.550 121.435 3 U 5.029e+03 0.00e+00 m 0 1092 1088 1089 0
17 6.779 7.320 121.435 3 U 1.556e+03 0.00e+00 m 0 1092 1094 1089 0
18 7.314 6.866 114.705 3 U 2.410e+04 0.00e+00 m 0 1094 1095 1090 0
19 6.849 7.320 124.282 3 U 1.795e+04 0.00e+00 m 0 1095 1094 1093 0
20 6.849 7.555 124.282 3 U 2.498e+03 0.00e+00 m 0 1095 1088 1093 0
21 6.849 6.779 124.282 3 U 3.168e+04 0.00e+00 m 0 1095 1092 1093 0
22 6.779 6.850 121.435 3 U 2.250e+04 0.00e+00 m 0 1092 1095 1089 0
23 7.314 10.012 114.705 3 U 6.194e+03 0.00e+00 m 0 1094 1091 1090 0
24 7.042 7.042 133.342 1 U 2.429e+06 0.00e+00 m 0 1720 1720 1724 0
26 6.531 6.531 122.729 1 U 1.151e+05 0.00e+00 m 0 752 752 748 0
30 7.075 7.075 120.141 1 U 5.272e+05 0.00e+00 m 0 1355 1355 1351 0
31 6.935 6.935 119.100 1 U 4.365e+05 0.00e+00 m 0 965 965 961 0
32 7.043 7.043 119.105 1 U 5.905e+05 0.00e+00 m 0 1448 1448 1444 0
33 7.117 7.117 119.364 1 U 6.705e+05 0.00e+00 m 0 996 996 992 0
35 7.544 7.544 138.001 1 U 5.192e+05 0.00e+00 m 0 753 753 750 0
36 7.544 6.536 138.001 3 U 1.642e+03 0.00e+00 m 0 753 752 750 0
37 7.075 8.048 120.141 3 U 2.377e+03 0.00e+00 m 0 1355 1342 1351 0
38 7.755 7.760 138.260 4 U 5.919e+05 0.00e+00 m 0 0 0 0 0
46 7.042 3.007 133.342 3 U 1.052e+04 0.00e+00 m 0 1720 1717 1724 0
47 7.042 2.872 133.342 3 U 1.033e+04 0.00e+00 m 0 1720 1718 1724 0
53 7.044 2.884 133.342 3 U 1.033e+04 0.00e+00 m 0 1720 1718 1724 0
54 7.042 3.403 133.342 3 U 3.124e+03 0.00e+00 m 0 1821 1810 1825 0
58 7.007 7.007 119.882 1 U 1.917e+06 0.00e+00 m 0 253 253 249 0
59 6.976 6.976 120.658 1 U 7.723e+05 0.00e+00 m 0 1465 1465 1461 0
63 7.007 7.893 119.882 3 U 1.826e+03 0.00e+00 m 0 253 240 249 0
71 6.531 5.748 122.729 3 U 1.546e+03 0.00e+00 m 0 752 477 748 0
72 6.531 5.256 122.729 3 U 1.522e+03 0.00e+00 m 0 752 741 748 0
73 6.531 4.902 122.729 3 U 6.600e+02 0.00e+00 m 0 752 719 748 0
79 6.531 7.543 122.729 3 U 6.090e+02 0.00e+00 m 0 752 753 748 0
80 6.531 8.552 122.729 3 U 1.775e+03 0.00e+00 m 0 752 739 748 0
81 6.531 9.211 122.729 3 U 4.410e+02 0.00e+00 m 0 752 877 748 0
98 7.043 8.385 119.105 3 U 6.700e+02 0.00e+00 m 0 1448 1435 1444 0
100 6.935 7.548 119.100 3 U 3.386e+03 0.00e+00 m 0 965 952 961 0
105 7.117 7.714 119.364 3 U 1.121e+03 0.00e+00 m 0 996 1000 992 0
112 6.935 4.527 119.100 3 U 1.925e+03 0.00e+00 m 0 965 954 961 0
115 7.117 4.164 119.364 3 U 2.175e+03 0.00e+00 m 0 996 985 992 0
123 7.043 3.102 119.105 3 U 5.696e+03 0.00e+00 m 0 1448 1439 1444 0
124 7.043 2.815 119.105 3 U 1.101e+04 0.00e+00 m 0 1448 1440 1444 0
125 6.935 3.659 119.100 3 U 4.328e+03 0.00e+00 m 0 965 949 961 0
127 6.935 2.779 119.100 3 U 1.210e+04 0.00e+00 m 0 965 957 961 0
128 7.117 3.893 119.364 3 U 2.022e+03 0.00e+00 m 0 996 1002 992 0
129 7.117 3.204 119.364 3 U 7.248e+03 0.00e+00 m 0 996 988 992 0
132 6.531 2.358 122.729 4 U 1.317e+03 0.00e+00 m 0 752 467 748 0
133 6.531 2.086 122.729 3 U 7.850e+02 0.00e+00 m 0 752 461 748 0
134 6.531 1.819 122.729 3 U 1.795e+03 0.00e+00 m 0 752 700 748 0
135 6.531 1.472 122.729 3 U 1.323e+03 0.00e+00 m 0 752 857 748 0
136 6.531 1.033 122.729 3 U 9.500e+02 0.00e+00 m 0 752 860 748 0
137 6.531 0.670 122.729 3 U 4.107e+03 0.00e+00 m 0 752 701 748 0
139 7.544 2.364 138.001 4 U 1.202e+03 0.00e+00 m 0 753 467 750 0
140 7.544 2.086 138.001 3 U 7.040e+02 0.00e+00 m 0 753 461 750 0
144 7.544 1.146 138.001 3 U 3.544e+03 0.00e+00 m 0 753 859 750 0
149 6.531 1.146 122.729 3 U 9.850e+02 0.00e+00 m 0 752 859 748 0
150 7.043 0.654 119.105 4 U 3.317e+03 0.00e+00 m 0 0 0 0 0
151 6.935 1.990 119.100 3 U 8.500e+02 0.00e+00 m 0 965 940 961 0
152 6.935 1.610 119.100 3 U 1.307e+03 0.00e+00 m 0 965 944 961 0
153 6.935 1.375 119.100 3 U 4.419e+03 0.00e+00 m 0 965 945 961 0
155 7.117 2.353 119.364 4 U 1.166e+03 0.00e+00 m 0 996 1064 992 0
156 7.117 2.139 119.364 3 U 1.188e+03 0.00e+00 m 0 996 1062 992 0
159 7.117 1.103 119.364 3 U 1.021e+03 0.00e+00 m 0 996 1005 992 0
167 7.222 6.225 127.129 3 U 1.945e+03 0.00e+00 m 0 1087 1173 1082 0
172 6.849 10.024 124.282 3 U 4.320e+02 0.00e+00 m 0 1095 1091 1093 0
174 7.075 8.304 120.141 3 U 8.960e+02 0.00e+00 m 0 1355 1031 1351 0
175 7.075 9.014 120.141 4 U 9.430e+02 0.00e+00 m 0 0 0 0 0
176 7.222 4.262 127.129 3 U 6.797e+03 0.00e+00 m 0 1087 1076 1082 0
177 7.222 3.778 127.129 3 U 1.217e+03 0.00e+00 m 0 1087 290 1082 0
178 7.222 3.522 127.129 3 U 3.828e+03 0.00e+00 m 0 1087 1078 1082 0
179 7.222 3.237 127.129 3 U 8.044e+03 0.00e+00 m 0 1087 1079 1082 0
180 7.548 4.268 120.400 3 U 7.540e+02 0.00e+00 m 0 1088 1076 1084 0
181 7.548 3.772 120.400 3 U 2.462e+03 0.00e+00 m 0 1088 1015 1084 0
182 7.548 3.522 120.400 3 U 6.074e+03 0.00e+00 m 0 1088 1078 1084 0
184 7.548 3.101 120.400 3 U 6.684e+03 0.00e+00 m 0 1088 1106 1084 0
185 6.779 3.192 121.435 3 U 1.187e+03 0.00e+00 m 0 1092 480 1089 0
186 6.779 3.095 121.435 3 U 1.293e+03 0.00e+00 m 0 1092 1106 1089 0
188 7.314 6.204 114.705 3 U 5.860e+02 0.00e+00 m 0 1094 1173 1090 0
189 7.314 3.926 114.705 3 U 9.080e+02 0.00e+00 m 0 1094 427 1090 0
190 7.314 3.425 114.705 3 U 1.161e+03 0.00e+00 m 0 1094 364 1090 0
191 7.314 3.220 114.705 3 U 9.840e+02 0.00e+00 m 0 1094 480 1090 0
192 7.314 2.662 114.705 3 U 1.229e+03 0.00e+00 m 0 1094 1304 1090 0
194 6.849 3.220 124.282 3 U 4.090e+03 0.00e+00 m 0 1095 480 1093 0
195 6.849 2.668 124.282 3 U 8.760e+02 0.00e+00 m 0 1095 1304 1093 0
196 7.075 4.826 120.141 4 U 9.520e+02 0.00e+00 m 0 0 0 0 0
199 7.075 3.157 120.141 3 U 5.559e+03 0.00e+00 m 0 1355 1346 1351 0
200 7.075 2.970 120.141 3 U 7.362e+03 0.00e+00 m 0 1355 1347 1351 0
201 7.222 2.369 127.129 3 U 7.290e+02 0.00e+00 m 0 1087 393 1082 0
202 7.222 2.118 127.129 4 U 1.703e+03 0.00e+00 m 0 1087 388 1082 0
203 7.222 1.099 127.129 3 U 1.994e+03 0.00e+00 m 0 1087 1168 1082 0
207 7.222 1.651 127.129 3 U 1.717e+03 0.00e+00 m 0 1087 298 1082 0
208 7.548 2.460 120.400 3 U 3.213e+03 0.00e+00 m 0 1088 1107 1084 0
209 7.548 2.186 120.400 3 U 1.287e+03 0.00e+00 m 0 1088 1102 1084 0
210 7.548 2.033 120.400 4 U 1.504e+03 0.00e+00 m 0 0 0 0 0
211 7.548 1.429 120.400 3 U 5.240e+02 0.00e+00 m 0 1088 1164 1084 0
212 7.548 1.048 120.400 3 U 4.175e+03 0.00e+00 m 0 1088 1018 1084 0
213 7.548 0.882 120.400 3 U 2.403e+03 0.00e+00 m 0 1088 1019 1084 0
215 7.548 0.239 120.400 3 U 1.371e+03 0.00e+00 m 0 1088 371 1084 0
216 7.548 -0.273 120.400 3 U 1.116e+03 0.00e+00 m 0 1088 372 1084 0
217 6.779 2.460 121.435 3 U 1.536e+03 0.00e+00 m 0 1092 1107 1089 0
218 6.779 2.038 121.435 4 U 1.271e+03 0.00e+00 m 0 0 0 0 0
220 6.779 1.048 121.435 3 U 2.590e+03 0.00e+00 m 0 1092 1018 1089 0
221 6.779 0.882 121.435 3 U 3.169e+03 0.00e+00 m 0 1092 1019 1089 0
222 6.779 0.649 121.435 3 U 4.255e+03 0.00e+00 m 0 1092 726 1089 0
223 6.779 0.387 121.435 3 U 4.630e+02 0.00e+00 m 0 1092 727 1089 0
224 6.779 -0.279 121.435 3 U 8.420e+02 0.00e+00 m 0 1092 372 1089 0
225 7.314 2.539 114.705 3 U 1.357e+03 0.00e+00 m 0 1094 1305 1090 0
226 7.314 2.141 114.705 3 U 7.408e+03 0.00e+00 m 0 1094 429 1090 0
227 7.314 1.657 114.705 3 U 8.140e+02 0.00e+00 m 0 1094 1163 1090 0
228 7.314 1.446 114.705 3 U 1.293e+03 0.00e+00 m 0 1094 1167 1090 0
229 7.314 1.002 114.705 3 U 7.885e+03 0.00e+00 m 0 1094 431 1090 0
230 7.314 0.774 114.705 3 U 5.953e+03 0.00e+00 m 0 1094 430 1090 0
231 7.314 0.643 114.705 3 U 2.067e+03 0.00e+00 m 0 1094 726 1090 0
232 7.314 0.199 114.705 3 U 7.060e+02 0.00e+00 m 0 1094 367 1090 0
233 7.314 -0.279 114.705 3 U 1.227e+03 0.00e+00 m 0 1094 372 1090 0
234 6.849 2.505 124.282 3 U 8.960e+02 0.00e+00 m 0 1095 1305 1093 0
235 6.849 2.141 124.282 3 U 1.852e+03 0.00e+00 m 0 1095 429 1093 0
236 6.849 1.013 124.282 3 U 8.782e+03 0.00e+00 m 0 1095 431 1093 0
238 6.849 0.638 124.282 3 U 6.194e+03 0.00e+00 m 0 1095 726 1093 0
239 6.849 0.416 124.282 3 U 9.080e+02 0.00e+00 m 0 1095 727 1093 0
240 6.849 -0.279 124.282 3 U 9.840e+02 0.00e+00 m 0 1095 372 1093 0
242 7.075 2.357 120.141 4 U 2.104e+03 0.00e+00 m 0 0 0 0 0
244 7.075 1.799 120.141 3 U 1.413e+03 0.00e+00 m 0 1355 1037 1351 0
245 7.075 1.685 120.141 3 U 1.622e+03 0.00e+00 m 0 1355 1041 1351 0
246 7.075 0.734 120.141 4 U 2.056e+03 0.00e+00 m 0 1355 525 1351 0
247 6.934 6.988 120.141 4 U 1.046e+04 0.00e+00 m 0 0 0 0 0
251 6.976 7.847 120.658 4 U 8.660e+02 0.00e+00 m 0 0 0 0 0
252 6.976 6.811 120.658 4 U 2.845e+04 0.00e+00 m 0 0 0 0 0
253 6.976 4.586 120.658 3 U 1.598e+03 0.00e+00 m 0 1465 1454 1461 0
258 6.976 2.977 120.658 3 U 5.736e+03 0.00e+00 m 0 1465 1458 1461 0
259 6.976 1.656 120.658 4 U 1.395e+03 0.00e+00 m 0 0 0 0 0
263 7.044 7.050 133.342 1 U 2.429e+06 0.00e+00 m 0 1720 1720 1724 0
264 7.044 3.404 133.342 3 U 3.124e+03 0.00e+00 m 0 1821 1810 1825 0
265 7.044 3.019 133.342 3 U 1.052e+04 0.00e+00 m 0 1720 1717 1724 0
268 7.044 6.748 133.342 3 U 1.425e+05 0.00e+00 m 0 1720 1721 1724 0
270 6.763 6.762 118.329 1 U 2.094e+06 0.00e+00 m 0 1721 1721 1726 0
271 6.763 4.539 118.329 4 U 9.180e+02 0.00e+00 m 0 0 0 0 0
272 7.044 4.532 133.342 3 U 3.353e+03 0.00e+00 m 0 1720 1715 1724 0
273 6.763 3.397 118.329 3 U 5.320e+02 0.00e+00 m 0 1822 1810 1827 0
274 6.763 2.853 118.329 4 U 4.328e+03 0.00e+00 m 0 0 0 0 0
275 6.763 3.129 118.329 4 U 2.431e+03 0.00e+00 m 0 0 0 0 0
276 6.763 7.051 118.329 3 U 1.787e+05 0.00e+00 m 0 1721 1720 1726 0
277 7.042 6.755 133.342 3 U 1.694e+05 0.00e+00 m 0 1720 1721 1724 0
278 7.042 4.319 133.342 3 U 1.608e+03 0.00e+00 m 0 1821 1816 1825 0
279 7.042 4.223 133.342 3 U 7.270e+02 0.00e+00 m 0 1720 1702 1724 0
281 6.755 6.755 118.329 1 U 1.830e+06 0.00e+00 m 0 1721 1721 1726 0
282 6.755 7.044 118.329 3 U 1.728e+05 0.00e+00 m 0 1721 1720 1726 0
283 6.755 4.319 118.329 3 U 3.880e+02 0.00e+00 m 0 1822 1816 1827 0
285 6.755 4.216 118.329 3 U 5.090e+02 0.00e+00 m 0 1721 1702 1726 0
286 6.755 3.397 118.329 3 U 3.290e+02 0.00e+00 m 0 1822 1810 1827 0
287 6.755 3.012 118.329 3 U 1.383e+03 0.00e+00 m 0 1721 1717 1726 0
292 7.042 1.805 133.342 3 U 1.323e+03 0.00e+00 m 0 1821 1807 1825 0
293 7.007 4.766 119.882 1 U 8.570e+02 0.00e+00 m 0 253 242 249 0
298 6.531 3.058 122.729 1 U 2.711e+03 0.00e+00 m 0 752 745 748 0
299 7.544 2.962 138.001 1 U 6.797e+03 0.00e+00 m 0 753 863 750 0
300 6.849 5.749 124.282 1 U 5.130e+02 0.00e+00 m 0 1095 477 1093 0
305 7.222 7.555 127.129 1 U 1.277e+03 0.00e+00 m 0 1087 1088 1082 0
307 7.222 0.252 127.129 1 U 4.981e+03 0.00e+00 m 0 1087 371 1082 0
319 7.544 0.663 138.001 1 U 4.868e+03 0.00e+00 m 0 753 701 750 0
328 5.748 5.754 120.917 1 U 4.141e+03 0.00e+00 m 0 0 0 0 0
329 5.748 3.206 120.917 1 U 7.500e+02 0.00e+00 m 0 0 0 0 0
330 5.748 9.419 120.917 1 U 7.400e+02 0.00e+00 m 0 0 0 0 0
334 6.935 3.238 119.100 1 U 5.768e+03 0.00e+00 m 0 965 0 961 0
;
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 . . 8.331487 ppm . . . 4.78 . . 30445 2
2 . . H 1 H-aliphatic . . 11.902123 ppm . . . 7.78 . . 30445 2
3 . . C 13 C-aromatic . . 33.131673 ppm . . . 127 . . 30445 2
stop_
save_