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 30310
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name 3D_15N-separated_NOESY
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
1001 125.432 3.764 8.385 1 U 2.67E+05 0 e 0 17 5 16
1002 125.432 4.564 8.387 1 U 2.45E+05 0 e 0 17 13 16
1003 125.432 1.316 8.387 1 U 3.76E+05 0 e 0 17 21 16
1004 124.274 5.102 8.491 1 U 4.78E+04 0 e 0 34 28 33
1005 124.274 4.558 8.489 1 U 2.33E+05 0 e 0 34 13 33
1006 124.274 1.584 8.491 1 U 7.66E+04 0 e 0 34 35 33
1007 124.274 1.339 8.491 1 U 5.25E+04 0 e 0 34 31 33
1008 123.957 5.096 9.228 1 U 2.73E+05 0 e 0 48 28 47
1009 125.719 5.055 8.939 1 U 2.82E+05 0 e 0 72 56 71
1010 125.719 3.992 8.940 1 U 8.07E+04 0 e 0 72 67 71
1011 125.719 2.028 8.937 1 U 1.29E+05 0 e 0 72 68 71
1012 125.719 1.485 8.937 1 U 1.55E+05 0 e 0 72 69 71
1013 111.130 4.050 8.882 1 U 9.80E+04 0 e 0 80 78 79
1014 111.130 2.046 8.883 1 U 7.23E+04 0 e 0 80 68 79
1015 111.130 1.497 8.882 1 U 3.21E+04 0 e 0 80 69 79
1016 111.130 7.042 8.882 1 U 5.31E+04 0 e 0 80 87 79
1017 122.695 8.736 7.052 1 U 8.63E+04 0 e 0 88 101 87
1018 122.695 8.871 7.052 1 U 5.82E+04 0 e 0 88 79 87
1019 122.789 7.045 8.734 1 U 1.22E+05 0 e 0 102 87 101
1020 122.789 3.965 8.733 1 U 1.25E+05 0 e 0 102 98 101
1021 122.789 3.399 8.732 1 U 1.29E+05 0 e 0 102 100 101
1022 122.789 2.733 8.739 1 U 1.25E+05 0 e 0 102 99 101
1023 122.789 2.008 8.732 1 U 1.13E+05 0 e 0 102 89 101
1024 122.789 8.266 8.734 1 U 7.62E+04 0 e 0 102 115 101
1025 118.052 8.727 8.252 1 U 8.82E+04 0 e 0 116 101 115
1026 118.052 7.524 8.254 1 U 7.83E+04 0 e 0 116 125 115
1027 118.052 6.688 8.254 1 U 4.71E+04 0 e 0 116 103 115
1028 118.052 4.801 8.257 1 U 5.94E+04 0 e 0 116 111 115
1029 118.052 3.387 8.258 1 U 6.06E+04 0 e 0 116 100 115
1030 118.052 1.903 8.254 1 U 1.24E+05 0 e 0 116 112 115
1031 118.052 2.008 8.254 1 U 2.05E+05 0 e 0 116 114 115
1032 118.052 1.587 8.257 1 U 6.71E+04 0 e 0 116 113 115
1033 118.052 0.915 8.255 1 U 9.25E+04 0 e 0 116 117 115
1034 117.192 8.260 7.526 1 U 6.02E+04 0 e 0 126 115 125
1035 117.192 7.810 7.529 1 U 9.89E+04 0 e 0 126 132 125
1037 117.192 4.228 7.531 1 U 7.33E+04 0 e 0 126 122 125
1038 117.192 2.493 7.531 1 U 2.94E+04 0 e 0 126 127 125
1039 117.192 2.213 7.529 1 U 9.74E+04 0 e 0 126 123 125
1040 117.192 2.101 7.528 1 U 6.77E+04 0 e 0 126 124 125
1042 108.080 8.400 7.662 1 U 1.05E+05 0 e 0 153 146 152
1043 113.657 8.406 7.811 1 U 9.38E+04 0 e 0 133 146 132
1044 113.657 7.518 7.810 1 U 8.02E+04 0 e 0 133 125 132
1045 113.657 4.392 7.808 1 U 6.33E+04 0 e 0 133 131 132
1046 113.657 1.687 7.810 1 U 1.12E+05 0 e 0 133 134 132
1048 117.260 2.093 8.404 1 U 1.07E+05 0 e 0 147 142 146
1049 117.260 2.484 8.406 1 U 1.61E+04 0 e 0 147 143 146
1051 117.260 4.459 8.397 1 U 7.37E+04 0 e 0 147 141 146
1052 117.260 7.661 8.403 1 U 9.87E+04 0 e 0 147 152 146
1053 117.260 7.807 8.403 1 U 1.38E+05 0 e 0 147 132 146
1054 108.080 4.506 7.662 1 U 4.02E+04 0 e 0 153 141 152
1055 108.080 4.249 7.661 1 U 6.63E+04 0 e 0 153 150 152
1056 108.080 3.851 7.659 1 U 6.69E+04 0 e 0 153 151 152
1057 108.080 2.081 7.661 1 U 5.27E+04 0 e 0 153 142 152
1058 106.195 4.751 7.393 1 U 8.71E+04 0 e 0 161 158 160
1059 106.195 4.249 7.391 1 U 1.03E+05 0 e 0 161 150 160
1060 106.195 3.840 7.391 1 U 8.14E+04 0 e 0 161 151 160
1061 106.195 1.608 7.391 1 U 8.86E+04 0 e 0 161 189 160
1062 106.195 1.327 7.391 1 U 6.10E+04 0 e 0 161 162 160
1063 120.102 4.751 9.181 1 U 9.26E+05 0 e 0 173 158 172
1064 120.102 2.163 9.176 1 U 7.22E+05 0 e 0 173 175 172
1065 113.113 2.169 8.441 1 U 8.40E+04 0 e 0 181 175 180
1066 113.113 3.904 8.441 1 U 2.25E+05 0 e 0 181 182 180
1067 113.113 4.062 8.442 1 U 6.39E+04 0 e 0 181 179 180
1068 113.113 7.901 8.444 1 U 1.07E+05 0 e 0 181 187 180
1069 113.113 9.198 8.445 1 U 5.61E+04 0 e 0 181 172 180
1072 126.919 8.456 7.897 1 U 1.31E+05 0 e 0 188 180 187
1073 126.919 4.237 7.896 1 U 8.35E+04 0 e 0 188 186 187
1074 126.919 3.892 7.895 1 U 6.98E+04 0 e 0 188 182 187
1075 126.919 1.596 7.897 1 U 2.48E+05 0 e 0 188 189 187
1076 126.919 1.351 7.897 1 U 2.62E+04 0 e 0 188 162 187
1077 121.544 8.257 8.464 1 U 5.70E+04 0 e 0 199 206 198
1078 121.544 7.889 8.466 1 U 6.36E+04 0 e 0 199 187 198
1079 121.544 4.062 8.466 1 U 7.99E+04 0 e 0 199 194 198
1080 121.544 3.892 8.466 1 U 3.08E+04 0 e 0 199 182 198
1081 121.544 1.766 8.466 1 U 1.12E+05 0 e 0 199 195 198
1082 121.544 1.602 8.466 1 U 1.80E+05 0 e 0 199 189 198
1083 120.558 1.514 8.257 1 U 5.64E+04 0 e 0 207 208 206
1085 120.558 1.888 8.257 1 U 3.45E+04 0 e 0 353 354 352
1088 120.558 3.746 8.254 1 U 1.53E+04 0 e 0 207 205 206
1089 120.558 4.073 8.257 1 U 3.32E+04 0 e 0 353 351 352
1090 120.558 7.667 8.255 1 U 3.64E+04 0 e 0 207 213 206
1092 120.558 8.462 8.258 1 U 3.84E+04 0 e 0 207 198 206
1093 118.339 8.012 7.661 1 U 6.67E+04 0 e 0 214 220 213
1094 118.339 8.263 7.664 1 U 4.86E+04 0 e 0 214 206 213
1095 118.339 4.208 7.662 1 U 8.88E+04 0 e 0 214 212 213
1096 118.339 3.775 7.662 1 U 2.15E+04 0 e 0 214 205 213
1097 118.339 1.526 7.661 1 U 2.72E+05 0 e 0 214 215 213
1098 121.105 7.649 8.008 1 U 7.79E+04 0 e 0 221 213 220
1100 121.105 4.173 8.010 1 U 8.86E+04 0 e 0 221 219 220
1101 121.105 1.526 8.010 1 U 2.50E+05 0 e 0 221 222 220
1103 114.618 0.761 8.089 1 U 3.07E+04 0 e 0 233 254 232
1104 114.618 1.748 8.090 1 U 1.72E+05 0 e 0 233 229 232
1105 114.618 4.167 8.090 1 U 3.94E+04 0 e 0 233 219 232
1106 114.618 4.319 8.092 1 U 5.30E+04 0 e 0 233 228 232
1107 108.915 7.866 8.022 1 U 9.66E+04 0 e 0 241 250 240
1108 108.915 3.945 8.023 1 U 1.92E+05 0 e 0 241 242 240
1110 108.915 1.754 8.023 1 U 3.09E+04 0 e 0 241 229 240
1111 124.274 9.212 8.492 1 U 2.53E+04 0 e 0 34 47 33
1112 123.957 9.388 9.225 1 U 9.95E+04 0 e 0 48 417 47
1113 122.711 2.011 7.053 1 U 2.37E+05 0 e 0 88 89 87
1116 126.919 4.068 7.894 1 U 3.31E+04 0 e 0 188 179 187
1117 119.093 4.658 8.515 1 U 1.59E+05 0 e 0 262 258 261
1118 119.093 4.722 8.515 1 U 1.90E+05 0 e 0 262 248 261
1119 119.008 2.841 8.517 1 U 1.28E+05 0 e 0 262 264 261
1120 119.104 2.199 8.516 1 U 1.34E+05 0 e 0 262 249 261
1121 119.093 1.462 8.515 1 U 1.62E+04 0 e 0 262 289 261
1123 119.093 0.761 8.514 1 U 5.74E+04 0 e 0 262 254 261
1124 124.705 7.178 7.714 1 U 8.47E+04 0 e 0 288 300 287
1125 124.689 4.185 7.714 1 U 6.47E+04 0 e 0 288 286 287
1126 124.738 2.846 7.713 1 U 2.84E+04 0 e 0 288 264 287
1127 124.689 1.464 7.714 1 U 1.60E+05 0 e 0 288 289 287
1128 116.452 7.714 7.182 1 U 1.34E+05 0 e 0 301 287 300
1129 116.454 8.220 7.180 1 U 1.15E+05 0 e 0 301 308 300
1130 116.452 3.682 7.176 1 U 6.97E+04 0 e 0 301 296 300
1131 116.452 4.173 7.176 1 U 4.77E+04 0 e 0 301 286 300
1134 116.417 2.208 7.172 1 U 1.86E+05 0 e 0 301 297 300
1135 116.402 1.243 7.170 1 U 6.16E+04 0 e 0 301 299 300
1136 115.031 7.170 8.212 1 U 1.00E+05 0 e 0 309 300 308
1137 115.031 8.035 8.212 1 U 4.42E+04 0 e 0 309 319 308
1138 115.031 4.086 8.212 1 U 9.44E+04 0 e 0 309 307 308
1139 115.031 3.980 8.213 1 U 1.21E+05 0 e 0 309 310 308
1141 115.031 1.497 8.213 1 U 1.53E+04 0 e 0 309 289 308
1142 115.031 0.930 8.212 1 U 2.65E+04 0 e 0 309 303 308
1143 119.151 8.229 8.038 1 U 6.79E+04 0 e 0 320 308 319
1144 119.180 7.460 8.036 1 U 5.34E+04 0 e 0 320 333 319
1145 119.182 4.019 8.037 1 U 1.31E+05 0 e 0 320 314 319
1146 119.174 4.185 8.036 1 U 3.72E+04 0 e 0 320 286 319
1147 119.164 2.172 8.036 1 U 1.59E+05 0 e 0 320 322 319
1148 118.687 8.068 7.465 1 U 1.64E+05 0 e 0 334 343 333
1149 118.741 4.132 7.469 1 U 4.92E+04 0 e 0 334 328 333
1150 118.741 2.636 7.466 1 U 6.92E+04 0 e 0 334 336 333
1153 119.749 8.255 8.082 1 U 8.70E+04 0 e 0 344 352 343
1155 119.694 7.471 8.082 1 U 8.05E+04 0 e 0 344 333 343
1156 119.737 3.688 8.082 1 U 6.99E+04 0 e 0 344 341 343
1157 119.737 4.132 8.084 1 U 4.14E+04 0 e 0 344 328 343
1158 119.742 2.157 8.082 1 U 1.36E+05 0 e 0 344 342 343
1160 119.725 0.966 8.082 1 U 1.52E+05 0 e 0 344 347 343
1161 118.945 8.257 7.667 1 U 6.78E+04 0 e 0 360 352 359
1162 118.945 7.877 7.669 1 U 8.19E+04 0 e 0 360 366 359
1163 118.923 4.318 7.665 1 U 7.50E+04 0 e 0 360 358 359
1165 118.945 1.526 7.669 1 U 1.30E+05 0 e 0 360 361 359
1166 106.956 7.614 7.875 1 U 1.11E+05 0 e 0 367 373 366
1167 106.956 7.679 7.873 1 U 5.85E+04 0 e 0 367 359 366
1168 107.005 3.902 7.873 1 U 1.78E+05 0 e 0 367 368 366
1169 106.956 1.520 7.876 1 U 2.64E+04 0 e 0 367 361 366
1170 118.475 7.877 7.606 1 U 6.54E+04 0 e 0 374 366 373
1171 118.437 4.242 7.608 1 U 6.38E+04 0 e 0 374 372 373
1172 118.475 3.916 7.606 1 U 1.90E+04 0 e 0 374 368 373
1173 118.466 1.694 7.607 1 U 1.34E+05 0 e 0 374 375 373
1175 124.700 4.541 7.650 1 U 2.58E+05 0 e 0 397 380 396
1176 124.714 1.695 7.653 1 U 6.16E+04 0 e 0 397 393 396
1177 124.842 5.131 8.699 1 U 3.96E+04 0 e 0 407 403 406
1178 124.819 4.371 8.698 1 U 2.32E+05 0 e 0 407 392 406
1179 124.870 2.441 8.696 1 U 8.61E+04 0 e 0 407 404 406
1180 124.842 2.122 8.700 1 U 7.17E+04 0 e 0 407 405 406
1181 124.895 1.703 8.699 1 U 3.79E+04 0 e 0 407 393 406
1182 124.842 0.749 8.697 1 U 5.74E+04 0 e 0 407 398 406
1183 122.671 5.149 9.368 1 U 3.76E+05 0 e 0 418 403 417
1184 122.671 1.958 9.375 1 U 1.86E+05 0 e 0 418 414 417
1185 124.730 4.357 8.849 1 U 2.94E+05 0 e 0 428 413 427
1187 124.738 0.556 8.849 1 U 6.05E+04 0 e 0 428 420 427
1188 123.531 1.321 8.760 1 U 7.08E+04 0 e 0 439 436 438
1189 123.531 1.666 8.760 1 U 1.57E+05 0 e 0 439 435 438
1190 123.531 4.558 8.763 1 U 2.94E+05 0 e 0 439 424 438
1191 123.531 5.043 8.761 1 U 1.12E+05 0 e 0 439 434 438
1192 126.321 7.164 8.804 1 U 1.68E+05 0 e 0 451 452 450
1193 126.321 5.032 8.808 1 U 2.49E+05 0 e 0 451 434 450
1194 126.321 3.092 8.808 1 U 1.02E+05 0 e 0 451 448 450
1195 118.657 4.527 8.132 1 U 7.80E+04 0 e 0 468 464 467
1196 118.674 3.063 8.130 1 U 7.59E+04 0 e 0 468 465 467
1197 118.674 2.642 8.128 1 U 4.97E+04 0 e 0 468 466 467
1198 118.674 3.273 8.133 1 U 6.99E+04 0 e 0 468 449 467
1199 108.052 7.866 8.090 1 U 6.15E+04 0 e 0 474 482 473
1200 108.052 4.401 8.090 1 U 7.02E+04 0 e 0 474 471 473
1201 108.052 3.659 8.090 1 U 1.18E+05 0 e 0 474 472 473
1202 121.856 8.087 7.866 1 U 1.38E+05 0 e 0 483 473 482
1203 121.828 8.146 7.866 1 U 7.36E+04 0 e 0 483 467 482
1205 121.828 4.260 7.866 1 U 4.98E+04 0 e 0 483 478 482
1206 121.828 3.074 7.868 1 U 2.93E+04 0 e 0 483 448 482
1207 121.832 1.859 7.865 1 U 6.96E+04 0 e 0 483 479 482
1208 119.870 4.251 8.046 1 U 3.08E+05 0 e 0 495 478 494
1209 119.810 1.707 8.044 1 U 5.49E+04 0 e 0 495 493 494
1210 119.810 0.825 8.044 1 U 4.97E+04 0 e 0 495 498 494
1211 121.143 5.410 8.975 1 U 2.36E+05 0 e 0 506 492 505
1212 121.143 4.658 8.970 1 U 3.96E+04 0 e 0 506 502 505
1215 121.681 4.652 9.095 1 U 2.60E+05 0 e 0 513 502 512
1216 121.681 4.693 9.096 1 U 2.41E+05 0 e 0 513 509 512
1217 121.681 2.122 9.092 1 U 7.28E+04 0 e 0 513 503 512
1219 130.427 4.675 9.578 1 U 2.20E+05 0 e 0 519 509 518
1220 117.189 7.312 8.505 1 U 6.82E+04 0 e 0 531 542 530
1221 117.164 4.149 8.509 1 U 4.78E+04 0 e 0 531 525 530
1222 117.164 2.326 8.507 1 U 1.81E+04 0 e 0 531 533 530
1223 117.164 1.952 8.507 1 U 1.09E+05 0 e 0 531 532 530
1225 117.164 9.572 8.510 1 U 3.23E+04 0 e 0 531 518 530
1226 118.424 1.511 7.318 1 U 1.85E+05 0 e 0 543 544 542
1227 118.534 4.401 7.319 1 U 1.19E+05 0 e 0 543 540 542
1228 120.474 4.436 7.823 1 U 6.26E+04 0 e 0 555 540 554
1231 120.474 0.766 7.821 1 U 4.39E+04 0 e 0 555 545 554
1232 120.474 7.316 7.819 1 U 8.18E+04 0 e 0 555 542 554
1233 118.461 7.751 8.562 1 U 4.19E+04 0 e 0 574 583 573
1234 118.464 4.506 8.564 1 U 7.16E+04 0 e 0 574 572 573
1235 118.468 4.421 8.562 1 U 1.19E+05 0 e 0 574 564 573
1236 118.428 2.656 8.561 1 U 9.51E+04 0 e 0 574 575 573
1237 118.464 1.964 8.562 1 U 2.64E+04 0 e 0 574 582 573
1238 118.823 8.549 7.752 1 U 2.76E+04 0 e 0 584 573 583
1239 118.823 8.193 7.752 1 U 3.79E+04 0 e 0 584 595 583
1240 118.823 4.494 7.754 1 U 6.75E+04 0 e 0 584 572 583
1241 118.823 3.998 7.755 1 U 5.45E+04 0 e 0 584 581 583
1242 118.794 2.653 7.751 1 U 2.58E+04 0 e 0 584 575 583
1243 118.893 1.968 7.759 1 U 7.42E+04 0 e 0 584 582 583
1245 121.677 7.750 8.181 1 U 7.68E+04 0 e 0 596 583 595
1247 121.667 4.559 8.176 1 U 4.24E+04 0 e 0 596 592 595
1248 121.701 4.003 8.183 1 U 7.11E+04 0 e 0 596 581 595
1249 121.638 3.191 8.180 1 U 2.35E+04 0 e 0 596 593 595
1250 121.654 2.992 8.178 1 U 5.44E+04 0 e 0 596 594 595
1251 121.673 1.962 8.178 1 U 4.56E+04 0 e 0 596 582 595
1252 121.638 0.731 8.180 1 U 2.71E+04 0 e 0 596 587 595
1253 110.262 3.892 8.274 1 U 1.99E+05 0 e 0 601 602 600
1254 110.220 4.557 8.275 1 U 1.03E+05 0 e 0 601 592 600
1256 123.479 1.374 8.106 1 U 7.43E+04 0 e 0 608 609 607
1257 123.493 3.884 8.109 1 U 8.28E+04 0 e 0 608 602 607
1258 123.479 4.284 8.107 1 U 2.10E+04 0 e 0 608 606 607
1259 123.479 8.275 8.106 1 U 5.59E+04 0 e 0 608 600 607
1260 120.608 4.249 8.192 1 U 7.98E+04 0 e 0 621 616 620
1261 120.608 4.307 8.192 1 U 8.72E+04 0 e 0 621 606 620
1262 120.608 1.397 8.190 1 U 2.42E+04 0 e 0 621 609 620
1263 120.845 4.155 8.287 1 U 4.58E+04 0 e 0 629 627 628
1264 120.845 4.255 8.284 1 U 8.31E+04 0 e 0 629 616 628
1265 120.835 1.859 8.283 1 U 4.97E+04 0 e 0 629 630 628
1267 120.608 1.506 8.190 1 U 3.93E+04 0 e 0 621 618 620
1268 120.608 1.605 8.190 1 U 8.64E+04 0 e 0 621 617 620
1269 125.443 8.383 8.387 1 U 1.00E+06 0 e 0 17 16 16
1270 124.252 8.488 8.486 1 U 1.00E+06 0 e 0 34 33 33
1271 123.989 9.227 9.226 1 U 1.00E+06 0 e 0 48 47 47
1272 125.691 8.936 8.938 1 U 1.00E+06 0 e 0 72 71 71
1273 111.142 8.886 8.883 1 U 1.00E+06 0 e 0 80 79 79
1274 122.693 7.047 7.051 1 U 1.00E+06 0 e 0 88 87 87
1275 122.743 8.728 8.733 1 U 1.00E+06 0 e 0 102 101 101
1276 118.063 8.248 8.256 1 U 1.00E+06 0 e 0 116 115 115
1277 117.184 7.527 7.530 1 U 1.00E+06 0 e 0 126 125 125
1278 113.677 7.807 7.812 1 U 1.00E+06 0 e 0 133 132 132
1279 117.248 8.399 8.398 1 U 1.00E+06 0 e 0 147 146 146
1280 108.100 7.661 7.660 1 U 1.00E+06 0 e 0 153 152 152
1281 106.192 7.385 7.388 1 U 1.00E+06 0 e 0 161 160 160
1282 120.102 9.198 9.184 1 U 1.00E+06 0 e 0 173 172 172
1283 113.130 8.443 8.442 1 U 1.00E+06 0 e 0 181 180 180
1284 126.923 7.895 7.897 1 U 1.00E+06 0 e 0 188 187 187
1285 121.515 8.463 8.466 1 U 1.00E+06 0 e 0 199 198 198
1286 118.365 7.659 7.661 1 U 1.00E+06 0 e 0 214 213 213
1287 120.560 8.251 8.257 1 U 1.00E+06 0 e 0 207 206 206
1288 121.110 8.012 8.010 1 U 1.00E+06 0 e 0 221 220 220
1289 114.645 8.083 8.089 1 U 1.00E+06 0 e 0 233 232 232
1290 108.915 8.024 8.023 1 U 1.00E+06 0 e 0 241 240 240
1291 111.413 7.871 7.868 1 U 1.00E+06 0 e 0 251 250 250
1292 111.413 8.029 7.869 1 U 1.06E+05 0 e 0 251 240 250
1293 111.413 8.099 7.869 1 U 4.71E+04 0 e 0 251 232 250
1294 111.413 4.710 7.872 1 U 4.71E+04 0 e 0 251 248 250
1295 111.413 0.743 7.870 1 U 1.27E+05 0 e 0 251 254 250
1296 119.110 8.517 8.515 1 U 1.00E+06 0 e 0 262 261 261
1297 124.066 9.250 9.251 1 U 1.00E+06 0 e 0 274 273 273
1298 124.715 7.711 7.714 1 U 1.00E+06 0 e 0 288 287 287
1299 116.456 7.173 7.176 1 U 1.00E+06 0 e 0 301 300 300
1300 115.015 8.208 8.212 1 U 1.00E+06 0 e 0 309 308 308
1301 119.187 8.036 8.037 1 U 1.00E+06 0 e 0 320 319 319
1302 118.714 7.462 7.466 1 U 1.00E+06 0 e 0 334 333 333
1303 119.714 8.079 8.082 1 U 1.00E+06 0 e 0 344 343 343
1304 120.560 8.251 8.257 1 U 1.00E+06 0 e 0 353 352 352
1305 118.945 7.661 7.667 1 U 1.00E+06 0 e 0 360 359 359
1306 106.959 7.871 7.874 1 U 1.00E+06 0 e 0 367 366 366
1307 118.458 7.603 7.607 1 U 1.00E+06 0 e 0 374 373 373
1308 123.876 4.885 9.227 1 U 6.57E+04 0 e 0 48 43 47
1309 125.823 0.838 8.941 1 U 3.86E+04 0 e 0 72 74 71
1310 125.624 2.579 8.934 1 U 4.34E+04 0 e 0 72 58 71
1311 111.130 3.936 8.881 1 U 1.06E+05 0 e 0 80 81 79
1313 118.052 2.709 8.252 1 U 2.71E+04 0 e 0 116 99 115
1316 108.080 2.475 7.665 1 U 3.75E+04 0 e 0 153 143 152
1317 109.759 2.610 7.433 1 U 6.72E+04 0 e 0 174 170 168
1318 109.759 2.224 7.433 1 U 5.44E+04 0 e 0 174 171 168
1319 109.722 6.961 7.436 1 U 5.49E+05 0 e 0 174 169 168
1320 109.701 7.432 7.435 1 U 1.00E+06 0 e 0 174 168 168
1321 109.761 0.956 6.960 1 U 4.35E+04 0 e 0 174 118 169
1322 109.684 6.962 6.966 1 U 1.00E+06 0 e 0 174 169 169
1323 109.746 7.432 6.966 1 U 5.56E+05 0 e 0 174 168 169
1324 112.135 2.359 7.613 1 U 3.56E+04 0 e 0 275 271 269
1325 112.135 2.142 7.614 1 U 3.63E+04 0 e 0 275 272 269
1326 112.159 6.984 7.610 1 U 4.96E+05 0 e 0 275 270 269
1327 112.133 7.609 7.611 1 U 1.00E+06 0 e 0 275 269 269
1328 112.137 6.988 6.991 1 U 1.00E+06 0 e 0 275 270 270
1329 112.150 7.610 6.991 1 U 3.30E+05 0 e 0 275 269 270
1331 114.618 1.441 8.090 1 U 2.89E+04 0 e 0 233 230 232
1332 114.618 1.535 8.090 1 U 1.16E+05 0 e 0 233 222 232
1333 111.413 3.960 7.870 1 U 4.25E+04 0 e 0 251 242 250
1335 114.131 7.089 7.092 1 U 1.00E+06 0 e 0 263 260 260
1336 114.111 7.814 7.092 1 U 2.26E+05 0 e 0 263 259 260
1338 116.452 1.532 7.174 1 U 9.79E+04 0 e 0 301 298 300
1339 116.452 1.485 7.174 1 U 1.09E+05 0 e 0 301 289 300
1342 119.174 2.513 8.035 1 U 2.34E+04 0 e 0 320 317 319
1344 124.715 7.656 7.650 1 U 1.00E+06 0 e 0 397 396 396
1345 124.843 8.703 8.698 1 U 1.00E+06 0 e 0 407 406 406
1346 121.828 1.625 7.867 1 U 8.49E+04 0 e 0 483 480 482
1347 121.679 9.092 9.091 1 U 1.00E+06 0 e 0 513 512 512
1348 130.434 9.588 9.584 1 U 1.00E+06 0 e 0 519 518 518
1349 118.522 7.318 7.322 1 U 1.00E+06 0 e 0 543 542 542
1350 120.454 7.817 7.819 1 U 1.00E+06 0 e 0 555 554 554
1351 120.366 4.670 7.823 1 U 3.34E+04 0 e 0 555 550 554
1353 118.522 7.831 7.321 1 U 3.38E+04 0 e 0 543 554 542
1355 125.432 1.692 8.386 1 U 6.00E+05 0 e 0 17 18 16
1356 122.671 9.364 9.366 1 U 1.00E+06 0 e 0 418 417 417
1357 124.716 8.847 8.848 1 U 1.00E+06 0 e 0 428 427 427
1358 123.497 8.759 8.763 1 U 1.00E+06 0 e 0 439 438 438
1359 126.330 8.811 8.811 1 U 1.00E+06 0 e 0 451 450 450
1360 118.689 8.122 8.125 1 U 1.00E+06 0 e 0 468 467 467
1361 108.078 8.090 8.088 1 U 1.00E+06 0 e 0 474 473 473
1362 121.827 7.867 7.866 1 U 1.00E+06 0 e 0 483 482 482
1363 119.810 8.044 8.046 1 U 1.00E+06 0 e 0 495 494 494
1364 121.147 8.976 8.972 1 U 1.00E+06 0 e 0 506 505 505
1365 117.157 8.507 8.507 1 U 1.00E+06 0 e 0 531 530 530
1366 118.448 8.562 8.562 1 U 1.00E+06 0 e 0 574 573 573
1367 118.847 7.753 7.751 1 U 1.00E+06 0 e 0 584 583 583
1368 121.652 8.181 8.178 1 U 1.00E+06 0 e 0 596 595 595
1369 110.255 8.271 8.276 1 U 1.00E+06 0 e 0 601 600 600
1370 123.472 8.103 8.104 1 U 1.00E+06 0 e 0 608 607 607
1371 120.625 8.190 8.189 1 U 1.00E+06 0 e 0 621 620 620
1372 120.836 8.283 8.283 1 U 1.00E+06 0 e 0 629 628 628
;
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 . . N 15 N . aliased 32 ppm . . . 118.8 . . 30310 1
2 . . H 1 H-aliphatic . aliased 12 ppm . . . 4.86 . . 30310 1
3 . . H 1 HN . . 12 ppm . . . 4.86 . . 30310 1
stop_
save_