######################### # Spectral peak lists # ######################### 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_ ######################### # Spectral peak lists # ######################### 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 30310 _Spectral_peak_list.ID 2 _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.Experiment_ID 2 _Spectral_peak_list.Experiment_name 3D_13C-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 1 11.342 6.720 0.590 1 U 3.17e+005 0 e 0 411 103 419 2 11.342 6.568 0.590 1 U 1.97e+005 0 e 0 411 104 419 3 11.405 4.376 0.594 1 U 1.42e+006 0 e 0 411 413 419 4 11.342 4.019 0.596 1 U 4.61e+005 0 e 0 411 67 419 5 11.410 2.901 0.595 1 U 5.93e+005 0 e 0 411 510 419 6 11.451 1.985 0.591 1 U 7.59e+005 0 e 0 411 414 419 7 11.399 1.356 0.594 1 U 1.99e+006 0 e 0 411 415 419 8 11.342 0.984 0.595 1 U 2.25e+006 0 e 0 411 416 419 9 72.179 1.343 4.752 1 U 1.91e+006 0 e 0 156 162 159 10 68.938 4.355 4.352 1 U 1.66e+007 0 e 0 456 459 459 11 68.946 4.048 4.351 1 U 1.97e+006 0 e 0 456 458 459 12 68.995 1.365 4.353 1 U 2.08e+006 0 e 0 456 460 459 13 65.581 4.352 4.042 1 U 1.71e+006 0 e 0 455 459 458 14 65.632 4.047 4.043 1 U 1.61e+007 0 e 0 455 458 458 15 65.579 1.363 4.042 1 U 1.7e+006 0 e 0 455 460 458 16 59.971 4.768 4.773 1 U 2.13e+006 0 e 0 155 158 158 17 59.971 1.335 4.772 1 U 1.71e+006 0 e 0 155 162 158 18 59.966 0.948 4.771 1 U 6.33e+005 0 e 0 155 118 158 19 41.465 6.714 1.823 1 U 2.61e+005 0 e 0 39 103 44 20 41.465 0.966 1.826 1 U 1.13e+006 0 e 0 39 50 44 21 41.491 3.633 1.823 1 U 2.16e+005 0 e 0 39 59 44 22 41.465 3.961 1.826 1 U 2.28e+005 0 e 0 39 60 44 23 63.135 5.075 5.070 1 U 1.37e+006 0 e 0 52 56 56 24 63.219 2.590 5.066 1 U 9.76e+005 0 e 0 52 58 56 25 63.130 2.132 5.066 1 U 4.7e+005 0 e 0 52 61 56 26 63.130 1.933 5.070 1 U 4.96e+005 0 e 0 52 57 56 27 64.111 2.343 4.423 1 U 1.87e+006 0 e 0 560 565 564 28 64.083 1.957 4.421 1 U 1.17e+006 0 e 0 560 566 564 29 64.083 2.062 4.421 1 U 7.89e+005 0 e 0 560 568 564 30 64.083 0.791 4.423 1 U 3.9e+005 0 e 0 560 252 564 31 64.083 3.732 4.421 1 U 1.98e+005 0 e 0 560 567 564 32 64.177 4.424 4.422 1 U 1.37e+007 0 e 0 560 564 564 33 66.188 2.179 3.705 1 U 7.27e+005 0 e 0 337 342 341 34 66.159 0.974 3.707 1 U 2.85e+006 0 e 0 337 347 341 35 66.141 3.710 3.706 1 U 1.38e+007 0 e 0 337 341 341 36 32.299 4.422 2.339 1 U 8.96e+005 0 e 0 561 564 565 37 57.497 2.523 4.501 1 U 1.09e+006 0 e 0 137 143 141 38 57.529 2.106 4.504 1 U 6.02e+005 0 e 0 137 142 141 39 57.423 4.511 4.502 1 U 6.2e+006 0 e 0 137 141 141 40 32.203 0.973 2.178 1 U 2.57e+006 0 e 0 338 347 342 41 32.105 3.709 2.176 1 U 4.12e+005 0 e 0 338 341 342 42 63.519 0.952 3.697 1 U 1.23e+006 0 e 0 291 303 296 43 63.448 0.732 3.696 1 U 8.59e+005 0 e 0 291 302 296 44 63.519 3.701 3.695 1 U 8.8e+006 0 e 0 291 296 296 45 63.448 1.259 3.698 1 U 2.34e+005 0 e 0 291 299 296 46 63.448 1.523 3.699 1 U 3.1e+005 0 e 0 291 298 296 47 63.448 2.220 3.701 1 U 4.1e+005 0 e 0 291 297 296 48 37.883 0.574 1.973 1 U 1.41e+006 0 e 0 410 419 414 49 37.808 0.990 1.972 1 U 6.48e+005 0 e 0 410 416 414 50 37.808 1.365 1.972 1 U 6.15e+005 0 e 0 410 415 414 51 37.808 1.974 1.972 1 U 5.32e+006 0 e 0 410 414 414 52 13.722 4.384 0.750 1 U 6.59e+005 0 e 0 389 392 398 53 50.827 4.713 3.726 1 U 8.88e+005 0 e 0 562 550 567 54 55.202 3.844 3.843 1 U 1.43e+007 0 e 0 2 5 5 55 55.218 1.738 3.843 1 U 3.17e+006 0 e 0 2 6 5 56 55.254 4.582 3.847 1 U 9.4e+005 0 e 0 2 447 5 57 50.825 4.420 3.721 1 U 1.97e+005 0 e 0 562 564 567 58 50.802 3.729 3.726 1 U 1.25e+007 0 e 0 562 567 567 59 50.822 3.247 3.730 1 U 1.74e+005 0 e 0 562 557 567 60 50.770 2.338 3.727 1 U 3.04e+005 0 e 0 562 565 567 61 50.770 1.781 3.729 1 U 3.91e+005 0 e 0 562 552 567 62 50.776 2.058 3.727 1 U 2.4e+006 0 e 0 562 568 567 63 50.770 1.939 3.727 1 U 9.1e+005 0 e 0 562 551 567 64 55.203 7.175 3.844 1 U 1.29e+005 0 e 0 2 452 5 65 35.695 4.573 1.740 1 U 3.6e+005 0 e 0 10 13 14 66 35.695 4.573 1.649 1 U 2.7e+005 0 e 0 10 13 15 67 35.695 1.380 1.743 1 U 1.25e+006 0 e 0 10 21 14 68 35.695 1.380 1.655 1 U 1.53e+006 0 e 0 10 21 15 69 24.737 4.567 1.375 1 U 3.22e+005 0 e 0 12 13 21 70 24.737 2.926 1.375 1 U 4.25e+005 0 e 0 12 20 21 71 41.928 1.374 2.932 1 U 1.35e+006 0 e 0 11 21 20 72 41.928 1.655 2.932 1 U 1.5e+006 0 e 0 11 19 20 73 22.127 6.715 0.391 1 U 3.77e+005 0 e 0 192 103 200 74 22.203 6.577 0.391 1 U 6.43e+005 0 e 0 192 104 200 75 41.465 0.641 1.825 1 U 6.91e+005 0 e 0 39 49 44 76 22.212 1.336 0.389 1 U 2.02e+006 0 e 0 192 197 200 77 18.549 4.374 0.559 1 U 1.15e+006 0 e 0 412 413 420 78 18.390 4.014 0.560 1 U 1.66e+005 0 e 0 412 67 420 79 17.597 3.972 0.968 1 U 1.02e+006 0 e 0 42 60 50 80 17.704 6.701 0.970 1 U 1.14e+006 0 e 0 42 103 50 81 17.597 6.574 0.970 1 U 2.51e+005 0 e 0 42 104 50 82 18.479 4.387 0.760 1 U 1.61e+006 0 e 0 391 392 399 83 19.284 3.784 0.753 1 U 2.59e+006 0 e 0 247 205 253 84 18.560 3.705 0.945 1 U 2.12e+006 0 e 0 295 296 303 85 22.401 5.436 0.753 1 U 9.2e+005 0 e 0 490 492 496 86 19.257 2.218 0.752 1 U 3.07e+006 0 e 0 247 249 253 87 53.213 2.863 4.677 1 U 2.68e+006 0 e 0 256 264 258 88 51.160 0.972 3.967 1 U 1.4e+005 0 e 0 54 50 60 89 51.195 3.622 3.966 1 U 1.69e+006 0 e 0 54 59 60 90 51.160 3.972 3.965 1 U 1.74e+006 0 e 0 54 60 60 91 51.160 4.857 3.962 1 U 2.64e+005 0 e 0 54 43 60 92 51.160 4.863 3.618 1 U 1.2e+005 0 e 0 54 43 59 93 51.160 0.972 3.622 1 U 2.09e+005 0 e 0 54 50 59 94 51.159 2.132 3.964 1 U 9.12e+005 0 e 0 54 61 60 95 51.160 2.127 3.621 1 U 9.44e+005 0 e 0 54 61 59 96 51.160 1.822 3.624 1 U 3.73e+005 0 e 0 54 44 59 97 51.160 1.816 3.965 1 U 2.47e+005 0 e 0 54 44 60 98 51.211 3.973 3.623 1 U 1.35e+006 0 e 0 54 60 59 99 51.155 3.631 3.618 1 U 2.11e+006 0 e 0 54 59 59 100 28.162 3.632 2.131 1 U 6.63e+005 0 e 0 55 59 61 101 32.881 5.068 2.585 1 U 1.25e+005 0 e 0 53 56 58 102 27.518 4.432 2.057 1 U 3.5e+005 0 e 0 563 564 568 103 27.623 3.729 2.060 1 U 1.92e+006 0 e 0 563 567 568 104 27.500 2.050 2.059 1 U 1.96e+007 0 e 0 563 568 568 105 27.500 2.326 2.058 1 U 2.06e+006 0 e 0 563 565 568 106 32.193 3.720 1.958 1 U 2.77e+005 0 e 0 561 567 566 107 32.193 3.720 2.339 1 U 3.3e+005 0 e 0 561 567 565 108 35.318 3.910 2.608 1 U 2.7e+005 0 e 0 166 167 170 109 35.339 3.908 2.237 1 U 4.02e+005 0 e 0 166 167 171 110 35.393 0.949 2.616 1 U 7.45e+005 0 e 0 166 118 170 111 35.328 0.943 2.241 1 U 8.56e+005 0 e 0 166 118 171 112 35.336 2.618 2.615 1 U 6.21e+006 0 e 0 166 170 170 113 35.374 2.226 2.613 1 U 3.27e+006 0 e 0 166 171 170 114 35.350 2.618 2.240 1 U 2.56e+006 0 e 0 166 170 171 115 35.287 2.229 2.238 1 U 8.44e+006 0 e 0 166 171 171 116 17.672 1.819 0.966 1 U 2.91e+006 0 e 0 42 44 50 117 17.641 2.761 0.964 1 U 4.66e+005 0 e 0 42 99 50 118 17.670 3.421 0.967 1 U 2.49e+005 0 e 0 42 100 50 119 17.597 3.624 0.967 1 U 3.25e+005 0 e 0 42 59 50 120 17.487 4.876 0.969 1 U 1.81e+005 0 e 0 42 43 50 121 17.597 0.635 0.967 1 U 2.27e+006 0 e 0 42 49 50 122 17.597 0.969 0.964 1 U 7.32e+007 0 e 0 42 50 50 123 42.249 4.028 2.056 1 U 3.24e+005 0 e 0 64 67 68 124 42.183 4.013 1.494 1 U 3.64e+005 0 e 0 64 67 69 125 55.044 1.375 4.574 1 U 9.22e+005 0 e 0 9 21 13 126 55.320 1.575 5.128 1 U 9.93e+005 0 e 0 23 35 28 127 55.223 1.350 5.125 1 U 3.85e+005 0 e 0 23 31 28 128 55.223 1.145 5.122 1 U 4.47e+005 0 e 0 23 32 28 129 55.263 5.129 5.126 1 U 3e+006 0 e 0 23 28 28 130 55.223 4.567 5.125 1 U 7.23e+005 0 e 0 23 424 28 131 34.144 1.155 1.592 1 U 5.35e+005 0 e 0 24 32 29 132 34.059 1.157 1.538 1 U 4.89e+005 0 e 0 24 32 30 133 34.138 1.339 1.546 1 U 1.32e+006 0 e 0 24 31 30 134 34.114 1.345 1.587 1 U 1.17e+006 0 e 0 24 31 29 135 34.059 2.880 1.591 1 U 1.81e+005 0 e 0 24 37 29 136 34.059 2.885 1.544 1 U 6.89e+004 0 e 0 24 37 30 137 34.059 5.129 1.541 1 U 2.17e+005 0 e 0 24 28 30 138 34.059 5.129 1.591 1 U 2.09e+005 0 e 0 24 28 29 139 25.914 2.892 1.350 1 U 2.86e+005 0 e 0 27 37 31 140 25.975 2.891 1.142 1 U 2.57e+005 0 e 0 27 37 32 141 25.975 5.135 1.138 1 U 1.39e+005 0 e 0 27 28 32 142 41.657 1.771 3.019 1 U 1.97e+006 0 e 0 85 90 91 143 41.861 1.146 2.894 1 U 7.25e+005 0 e 0 26 32 37 144 41.855 1.351 2.895 1 U 9.02e+005 0 e 0 26 31 37 145 41.869 1.622 2.895 1 U 2.32e+006 0 e 0 26 36 37 146 29.603 1.151 1.636 1 U 8.02e+005 0 e 0 25 32 36 147 29.565 2.906 1.631 1 U 1.45e+006 0 e 0 25 37 36 148 14.076 3.416 0.656 1 U 6.23e+004 0 e 0 40 100 49 149 14.076 2.771 0.656 1 U 2.83e+005 0 e 0 40 99 49 150 14.201 1.813 0.656 1 U 1.1e+006 0 e 0 40 44 49 151 14.187 1.661 0.654 1 U 1.05e+006 0 e 0 40 435 49 152 14.161 1.423 0.656 1 U 2.14e+006 0 e 0 40 45 49 153 14.166 1.049 0.653 1 U 2.33e+006 0 e 0 40 46 49 154 14.076 3.947 0.657 1 U 6.71e+005 0 e 0 40 98 49 155 14.076 3.977 0.657 1 U 7.15e+005 0 e 0 40 60 49 156 26.351 0.654 1.429 1 U 8.52e+005 0 e 0 41 49 45 157 26.369 1.075 1.425 1 U 2.85e+006 0 e 0 41 46 45 158 26.250 1.819 1.427 1 U 4.41e+005 0 e 0 41 44 45 159 26.238 0.659 1.082 1 U 6.76e+005 0 e 0 41 49 46 160 26.238 1.819 1.078 1 U 2.33e+005 0 e 0 41 44 46 161 14.144 6.714 0.657 1 U 1.52e+006 0 e 0 40 103 49 162 14.076 6.553 0.658 1 U 4.01e+005 0 e 0 40 104 49 163 32.968 2.131 2.584 1 U 1.26e+006 0 e 0 53 61 58 164 32.981 1.925 2.594 1 U 2.5e+006 0 e 0 53 57 58 165 59.105 1.503 4.006 1 U 7.35e+005 0 e 0 63 69 67 166 59.141 0.807 4.005 1 U 1.34e+006 0 e 0 63 73 67 167 59.158 3.417 4.003 1 U 4.52e+005 0 e 0 63 100 67 168 59.105 6.717 4.003 1 U 1.29e+005 0 e 0 63 103 67 169 59.105 2.751 4.003 1 U 1.52e+004 0 e 0 63 99 67 170 42.217 2.057 2.056 1 U 1.95e+006 0 e 0 64 68 68 171 42.231 1.499 2.056 1 U 1.76e+006 0 e 0 64 69 68 172 42.188 0.836 2.056 1 U 8.29e+005 0 e 0 64 74 68 173 24.327 3.418 0.805 1 U 4.29e+005 0 e 0 65 100 73 174 24.306 4.016 0.806 1 U 2.27e+006 0 e 0 65 67 73 175 24.306 2.030 0.807 1 U 1.68e+006 0 e 0 65 68 73 176 24.306 1.508 0.806 1 U 5.77e+006 0 e 0 65 69 73 177 24.306 6.717 0.805 1 U 4.73e+005 0 e 0 65 103 73 178 26.542 3.706 0.859 1 U 4.74e+005 0 e 0 66 341 74 179 26.442 2.663 0.861 1 U 1.38e+005 0 e 0 66 331 74 180 26.629 2.346 0.861 1 U 4.65e+005 0 e 0 66 329 74 181 26.650 2.049 0.860 1 U 2.1e+006 0 e 0 66 68 74 182 26.542 1.497 0.860 1 U 2.79e+006 0 e 0 66 69 74 183 26.542 1.567 0.860 1 U 2.87e+006 0 e 0 66 70 74 184 26.542 4.010 0.858 1 U 3.95e+005 0 e 0 66 67 74 185 57.660 2.209 4.361 1 U 8.77e+005 0 e 0 83 123 86 186 57.599 1.766 4.362 1 U 6.52e+005 0 e 0 83 90 86 187 57.599 2.042 4.361 1 U 1.84e+006 0 e 0 83 89 86 188 41.606 4.356 3.016 1 U 1.83e+005 0 e 0 85 86 91 189 41.600 2.043 3.018 1 U 6.43e+005 0 e 0 85 89 91 190 41.723 1.574 3.018 1 U 8.43e+005 0 e 0 85 92 91 191 32.096 3.629 2.023 1 U 1.76e+005 0 e 0 84 59 89 192 32.096 4.350 2.023 1 U 6.87e+005 0 e 0 84 86 89 193 57.599 1.567 4.361 1 U 4.43e+005 0 e 0 83 92 86 194 62.672 3.417 3.963 1 U 4.82e+005 0 e 0 94 100 98 195 62.867 2.760 3.963 1 U 6.17e+005 0 e 0 94 99 98 196 62.711 2.516 3.965 1 U 1.69e+005 0 e 0 94 143 98 197 62.742 2.106 3.962 1 U 4.7e+005 0 e 0 94 142 98 198 62.733 6.702 3.966 1 U 1.42e+006 0 e 0 94 103 98 199 62.742 0.964 3.964 1 U 3.35e+005 0 e 0 94 50 98 200 62.742 0.665 3.967 1 U 4.91e+005 0 e 0 94 49 98 201 38.407 3.417 3.412 1 U 1.66e+006 0 e 0 95 100 100 202 38.319 3.993 3.413 1 U 4.29e+005 0 e 0 95 98 100 203 38.319 6.717 3.414 1 U 5.14e+005 0 e 0 95 103 100 204 38.400 2.764 3.407 1 U 1.31e+006 0 e 0 95 99 100 205 38.319 0.964 3.407 1 U 2.12e+005 0 e 0 95 50 100 206 38.319 0.799 3.407 1 U 1.69e+005 0 e 0 95 73 100 207 38.319 0.612 3.410 1 U 2.15e+005 0 e 0 95 49 100 208 38.438 3.981 2.760 1 U 6.33e+005 0 e 0 95 98 99 209 38.419 3.417 2.755 1 U 1.53e+006 0 e 0 95 100 99 210 38.439 2.765 2.760 1 U 1.73e+006 0 e 0 95 99 99 211 38.331 0.975 2.760 1 U 3.02e+005 0 e 0 95 50 99 212 38.331 0.811 2.763 1 U 1.03e+005 0 e 0 95 73 99 213 38.331 0.630 2.764 1 U 2.16e+005 0 e 0 95 49 99 214 56.006 4.802 4.791 1 U 1.02e+006 0 e 0 106 111 111 215 56.026 6.717 4.790 1 U 2.59e+005 0 e 0 106 103 111 216 55.986 0.945 4.789 1 U 1.49e+006 0 e 0 106 118 111 217 56.026 1.620 4.788 1 U 3.26e+005 0 e 0 106 113 111 218 56.026 1.901 4.787 1 U 2.12e+005 0 e 0 106 112 111 219 56.026 2.001 4.787 1 U 2.68e+005 0 e 0 106 114 111 220 38.331 6.717 2.760 1 U 6.85e+005 0 e 0 95 103 99 221 41.520 0.931 1.925 1 U 1.03e+006 0 e 0 107 117 112 222 41.493 1.622 1.925 1 U 1.92e+006 0 e 0 107 113 112 223 41.452 1.928 1.926 1 U 2.18e+006 0 e 0 107 112 112 224 41.449 0.940 1.621 1 U 1.15e+006 0 e 0 107 118 113 225 41.504 1.927 1.624 1 U 1.91e+006 0 e 0 107 112 113 226 26.646 3.934 0.926 1 U 2.94e+005 0 e 0 108 81 117 227 26.646 6.711 0.924 1 U 2.31e+005 0 e 0 108 103 117 228 26.729 4.066 0.925 1 U 6.85e+005 0 e 0 108 78 117 229 22.853 6.579 0.950 1 U 8.2e+005 0 e 0 109 104 118 230 22.744 6.711 0.951 1 U 1.5e+006 0 e 0 109 103 118 231 22.844 4.793 0.947 1 U 6.88e+005 0 e 0 109 111 118 232 22.744 3.905 0.949 1 U 1.51e+006 0 e 0 109 167 118 233 22.744 2.006 0.949 1 U 2.45e+006 0 e 0 109 114 118 234 22.744 1.620 0.951 1 U 1.75e+006 0 e 0 109 113 118 235 22.744 0.583 0.951 1 U 1.19e+006 0 e 0 109 201 118 236 22.744 0.407 0.951 1 U 1.59e+005 0 e 0 109 200 118 237 22.744 1.919 0.950 1 U 1.17e+006 0 e 0 109 112 118 238 27.318 1.611 2.027 1 U 3.01e+005 0 e 0 110 113 114 239 27.318 6.714 2.019 1 U 2.49e+005 0 e 0 110 103 114 240 58.462 2.240 4.227 1 U 1.84e+006 0 e 0 120 123 122 241 58.479 2.144 4.228 1 U 1.48e+006 0 e 0 120 124 122 242 58.492 2.500 4.230 1 U 4.4e+005 0 e 0 120 127 122 243 31.366 2.501 2.244 1 U 9.1e+005 0 e 0 121 127 123 244 31.273 2.513 2.113 1 U 8.61e+005 0 e 0 121 127 124 245 31.395 4.235 2.248 1 U 7.74e+005 0 e 0 121 122 123 246 31.273 4.371 2.246 1 U 4.89e+005 0 e 0 121 131 123 247 31.332 4.233 2.124 1 U 5.96e+005 0 e 0 121 122 124 248 31.273 4.371 2.125 1 U 3.02e+005 0 e 0 121 131 124 249 32.857 4.402 1.686 1 U 9.49e+005 0 e 0 130 131 134 250 45.684 4.248 4.250 1 U 1.55e+006 0 e 0 149 150 150 251 45.684 3.832 4.247 1 U 1.35e+006 0 e 0 149 151 150 252 45.684 6.574 4.234 1 U 1.51e+005 0 e 0 149 104 150 253 45.684 4.242 3.852 1 U 1.65e+006 0 e 0 149 150 151 254 45.684 6.580 3.850 1 U 1.47e+005 0 e 0 149 104 151 255 45.684 1.605 3.851 1 U 1.35e+005 0 e 0 149 189 151 256 45.684 1.611 4.267 1 U 1.76e+005 0 e 0 149 189 150 257 21.980 4.763 1.335 1 U 1.23e+006 0 e 0 157 158 162 258 21.962 3.881 1.336 1 U 2.96e+005 0 e 0 157 167 162 259 60.656 2.617 3.907 1 U 3.37e+005 0 e 0 164 170 167 260 60.581 2.192 3.902 1 U 1.8e+006 0 e 0 164 175 167 261 60.602 1.787 3.903 1 U 4.22e+005 0 e 0 164 195 167 262 60.602 1.634 3.903 1 U 1.87e+005 0 e 0 164 196 167 263 60.653 0.946 3.904 1 U 1.61e+006 0 e 0 164 118 167 264 60.602 0.586 3.904 1 U 1.56e+005 0 e 0 164 201 167 265 61.370 2.150 4.082 1 U 5.32e+005 0 e 0 177 272 179 266 61.341 2.372 4.084 1 U 4.78e+005 0 e 0 177 271 179 267 61.370 1.517 4.082 1 U 1.23e+006 0 e 0 177 208 179 268 62.337 1.529 3.907 1 U 2.56e+005 0 e 0 178 215 182 269 62.337 2.127 3.906 1 U 2.82e+005 0 e 0 178 272 182 270 62.337 2.379 3.904 1 U 1.96e+005 0 e 0 178 271 182 271 18.531 1.350 1.608 1 U 7.61e+005 0 e 0 185 162 189 272 18.651 3.868 1.609 1 U 4.96e+005 0 e 0 185 151 189 273 18.531 4.239 1.609 1 U 4.64e+006 0 e 0 185 186 189 274 18.531 6.571 1.609 1 U 1.48e+005 0 e 0 185 104 189 275 57.373 1.596 4.077 1 U 1.17e+006 0 e 0 190 189 194 276 57.491 0.583 4.079 1 U 4.04e+005 0 e 0 190 201 194 277 57.491 0.390 4.076 1 U 1.6e+006 0 e 0 190 200 194 278 57.491 1.778 4.076 1 U 4.98e+005 0 e 0 190 195 194 279 57.491 6.583 4.068 1 U 1.66e+005 0 e 0 190 104 194 280 41.101 4.075 1.797 1 U 4.39e+005 0 e 0 191 194 195 281 41.101 4.081 1.649 1 U 5.38e+005 0 e 0 191 194 196 282 41.101 6.577 1.644 1 U 3.76e+005 0 e 0 191 104 196 283 41.101 6.594 1.801 1 U 2.61e+005 0 e 0 191 104 195 284 41.101 0.383 1.643 1 U 2.56e+005 0 e 0 191 200 196 285 41.101 0.389 1.791 1 U 1.55e+005 0 e 0 191 200 195 286 22.100 1.760 0.391 1 U 1.82e+006 0 e 0 192 195 200 287 22.100 1.649 0.391 1 U 1.26e+006 0 e 0 192 196 200 288 22.184 0.390 0.390 1 U 4.58e+007 0 e 0 192 200 200 289 22.172 0.578 0.389 1 U 6.18e+006 0 e 0 192 201 200 290 22.201 4.074 0.390 1 U 2.41e+006 0 e 0 192 194 200 291 26.873 4.385 1.019 1 U 3.13e+005 0 e 0 390 392 395 292 26.320 0.404 0.583 1 U 3.26e+006 0 e 0 193 200 201 293 26.303 0.960 0.582 1 U 2.37e+006 0 e 0 193 118 201 294 26.301 0.933 0.583 1 U 2.5e+006 0 e 0 193 303 201 295 26.205 1.327 0.583 1 U 1.89e+006 0 e 0 193 197 201 296 26.205 1.796 0.583 1 U 1.36e+006 0 e 0 193 195 201 297 26.312 1.643 0.583 1 U 1.38e+006 0 e 0 193 196 201 298 26.205 4.069 0.584 1 U 4.36e+005 0 e 0 193 194 201 299 26.205 3.911 0.583 1 U 2.17e+005 0 e 0 193 167 201 300 55.595 1.527 3.781 1 U 2.4e+006 0 e 0 203 208 205 301 55.606 0.738 3.781 1 U 2.37e+006 0 e 0 203 253 205 302 17.673 2.127 1.530 1 U 1.53e+006 0 e 0 204 272 208 303 17.585 2.369 1.531 1 U 1.29e+006 0 e 0 204 271 208 304 18.591 0.389 1.546 1 U 8.41e+005 0 e 0 218 200 222 305 54.933 1.760 4.343 1 U 1.26e+006 0 e 0 224 229 228 306 54.955 1.484 4.343 1 U 9.86e+005 0 e 0 224 230 228 307 43.935 4.344 1.776 1 U 3.15e+005 0 e 0 225 228 229 308 43.935 3.782 1.776 1 U 1.68e+005 0 e 0 225 205 229 309 43.993 1.479 1.777 1 U 1.85e+006 0 e 0 225 230 229 310 43.935 0.741 1.776 1 U 1.03e+006 0 e 0 225 235 229 311 43.928 4.350 1.477 1 U 4.17e+005 0 e 0 225 228 230 312 26.905 3.782 0.643 1 U 1.88e+005 0 e 0 226 205 234 313 26.942 2.903 0.651 1 U 2.76e+005 0 e 0 226 510 234 314 26.821 2.528 0.650 1 U 2.61e+005 0 e 0 226 511 234 315 26.821 1.755 0.649 1 U 2.97e+006 0 e 0 226 229 234 316 26.821 1.333 0.647 1 U 1.15e+006 0 e 0 226 231 234 317 26.821 0.395 0.649 1 U 1.37e+006 0 e 0 226 200 234 318 26.821 1.462 0.649 1 U 1.64e+006 0 e 0 226 230 234 319 26.826 4.357 0.645 1 U 3.34e+005 0 e 0 226 228 234 320 23.185 2.523 0.753 1 U 5.87e+005 0 e 0 227 511 235 321 23.215 2.905 0.752 1 U 5.51e+005 0 e 0 227 510 235 322 23.214 4.350 0.752 1 U 2.96e+006 0 e 0 227 228 235 323 23.127 4.684 0.751 1 U 6.3e+005 0 e 0 227 509 235 324 23.127 1.755 0.754 1 U 4.65e+006 0 e 0 227 229 235 325 23.127 0.389 0.754 1 U 1.46e+006 0 e 0 227 200 235 326 23.127 1.526 0.753 1 U 2.12e+006 0 e 0 227 222 235 327 23.127 1.444 0.753 1 U 1.36e+006 0 e 0 227 230 235 328 58.399 0.784 4.723 1 U 2.89e+006 0 e 0 244 252 248 329 58.397 2.217 4.722 1 U 2.12e+006 0 e 0 244 249 248 330 24.317 7.295 0.790 1 U 2.63e+005 0 e 0 538 597 546 331 35.168 0.775 2.217 1 U 2.83e+006 0 e 0 245 252 249 332 21.790 2.218 0.792 1 U 3.36e+006 0 e 0 246 249 252 333 21.735 3.768 0.792 1 U 5.11e+005 0 e 0 246 205 252 334 21.673 4.722 0.792 1 U 7.31e+005 0 e 0 246 248 252 335 19.225 4.722 0.751 1 U 2.49e+005 0 e 0 247 248 253 336 53.223 1.523 4.678 1 U 3.73e+005 0 e 0 256 208 258 337 53.223 0.756 4.678 1 U 2.3e+005 0 e 0 256 254 258 338 39.374 0.773 2.857 1 U 1e+005 0 e 0 257 254 264 339 39.430 1.488 2.858 1 U 3.7e+005 0 e 0 257 289 264 340 39.462 2.193 2.864 1 U 1.6e+005 0 e 0 257 249 264 341 39.481 4.685 2.859 1 U 6.69e+005 0 e 0 257 258 264 342 60.261 0.709 3.793 1 U 4.88e+005 0 e 0 266 302 268 343 60.261 0.943 3.795 1 U 1.28e+005 0 e 0 266 303 268 344 60.261 1.254 3.793 1 U 1.72e+005 0 e 0 266 299 268 345 60.333 1.529 3.793 1 U 2.13e+006 0 e 0 266 208 268 346 60.347 2.128 3.793 1 U 2e+006 0 e 0 266 272 268 347 60.343 2.372 3.794 1 U 9.76e+005 0 e 0 266 271 268 348 28.451 3.720 1.262 1 U 3.37e+005 0 e 0 294 296 299 349 28.451 2.220 1.257 1 U 4.87e+005 0 e 0 294 297 299 350 61.037 3.932 4.228 1 U 4.39e+006 0 e 0 277 282 279 351 18.406 2.860 1.479 1 U 2.79e+005 0 e 0 285 264 289 352 18.396 2.215 1.479 1 U 1.14e+006 0 e 0 285 249 289 353 18.248 1.974 1.477 1 U 4.81e+005 0 e 0 285 582 289 354 18.303 7.265 1.482 1 U 1.68e+005 0 e 0 285 597 289 355 11.963 0.920 0.701 1 U 2.93e+006 0 e 0 293 303 302 356 12.006 1.273 0.699 1 U 2.51e+006 0 e 0 293 299 302 357 12.041 1.527 0.699 1 U 4.26e+006 0 e 0 293 298 302 358 12.077 1.784 0.702 1 U 8.76e+005 0 e 0 293 195 302 359 12.013 2.227 0.699 1 U 1.58e+006 0 e 0 293 297 302 360 11.963 0.398 0.698 1 U 5.62e+005 0 e 0 293 200 302 361 28.451 0.720 1.260 1 U 8.12e+005 0 e 0 294 302 299 362 28.451 0.937 1.255 1 U 4.07e+005 0 e 0 294 303 299 363 18.483 2.619 0.944 1 U 3.68e+005 0 e 0 295 170 303 364 18.436 3.909 0.947 1 U 7.35e+005 0 e 0 295 167 303 365 18.594 2.229 0.945 1 U 5.01e+006 0 e 0 295 297 303 366 18.571 1.537 0.944 1 U 2.12e+006 0 e 0 295 298 303 367 18.607 1.249 0.946 1 U 1.29e+006 0 e 0 295 299 303 368 61.601 0.976 4.126 1 U 1.02e+006 0 e 0 305 347 307 369 61.676 2.179 4.124 1 U 1.33e+006 0 e 0 305 342 307 370 59.144 2.172 4.042 1 U 1.77e+006 0 e 0 312 322 314 371 59.148 2.441 4.043 1 U 5.39e+005 0 e 0 312 318 314 372 33.132 4.171 2.344 1 U 2.32e+005 0 e 0 325 328 329 373 33.132 2.654 2.341 1 U 8.28e+005 0 e 0 325 336 329 374 32.869 0.773 2.693 1 U 4.05e+005 0 e 0 327 547 331 375 32.869 0.779 2.621 1 U 4.75e+005 0 e 0 327 547 332 376 17.338 2.897 1.829 1 U 2.08e+006 0 e 0 4 37 7 377 32.990 4.180 2.695 1 U 3.18e+005 0 e 0 327 286 331 378 32.942 4.173 2.631 1 U 3.93e+005 0 e 0 327 286 332 379 32.978 2.352 2.697 1 U 6.68e+005 0 e 0 327 329 331 380 32.970 2.345 2.626 1 U 7.85e+005 0 e 0 327 329 332 381 32.911 1.926 2.695 1 U 5.73e+005 0 e 0 327 330 331 382 18.017 1.705 1.977 1 U 2.68e+006 0 e 0 326 393 335 383 18.071 2.257 1.977 1 U 1.33e+006 0 e 0 326 529 335 384 18.072 2.352 1.977 1 U 1.8e+006 0 e 0 326 528 335 385 37.337 4.177 2.362 1 U 5.15e+005 0 e 0 524 525 528 386 37.325 0.756 2.359 1 U 3.92e+005 0 e 0 524 399 528 387 21.164 2.177 0.939 1 U 4.86e+006 0 e 0 339 342 345 388 21.193 3.710 0.940 1 U 2.56e+006 0 e 0 339 341 345 389 21.186 4.115 0.939 1 U 1.13e+006 0 e 0 339 307 345 390 23.095 2.181 1.002 1 U 4.59e+006 0 e 0 340 342 346 391 23.074 3.711 1.002 1 U 2.96e+006 0 e 0 340 341 346 392 23.059 4.118 1.001 1 U 1.11e+006 0 e 0 340 307 346 393 55.684 3.203 4.262 1 U 9.57e+005 0 e 0 370 376 372 394 26.630 4.563 2.920 1 U 5.39e+005 0 e 0 379 380 381 395 26.744 4.563 2.848 1 U 6.33e+005 0 e 0 379 380 382 396 59.374 1.722 4.383 1 U 1.3e+006 0 e 0 387 393 392 397 59.289 1.336 4.385 1 U 5.04e+005 0 e 0 387 394 392 398 59.270 1.027 4.385 1 U 5.99e+005 0 e 0 387 395 392 399 59.349 0.759 4.383 1 U 2.61e+006 0 e 0 387 399 392 400 40.978 4.390 1.718 1 U 5.93e+005 0 e 0 388 392 393 401 40.874 1.031 1.724 1 U 6.04e+005 0 e 0 388 395 393 402 40.874 0.756 1.723 1 U 2.11e+006 0 e 0 388 399 393 403 40.874 1.336 1.724 1 U 8.37e+005 0 e 0 388 394 393 404 13.612 2.666 0.751 1 U 4.54e+005 0 e 0 389 336 398 405 13.716 2.346 0.756 1 U 4.35e+005 0 e 0 389 533 398 406 13.655 1.966 0.751 1 U 1.67e+006 0 e 0 389 532 398 407 13.612 1.722 0.751 1 U 1.8e+006 0 e 0 389 393 398 408 13.681 1.340 0.750 1 U 2.87e+006 0 e 0 389 394 398 409 13.679 1.024 0.750 1 U 4.46e+006 0 e 0 389 395 398 410 13.612 4.171 0.751 1 U 2.58e+005 0 e 0 389 525 398 411 37.337 4.183 2.265 1 U 6.07e+005 0 e 0 524 525 529 412 26.887 4.377 1.353 1 U 3.13e+005 0 e 0 390 392 394 413 18.488 1.988 0.762 1 U 1.59e+006 0 e 0 391 335 399 414 53.893 5.169 5.168 1 U 2.46e+006 0 e 0 401 403 403 415 53.842 2.449 5.170 1 U 4.82e+005 0 e 0 401 404 403 416 53.855 2.135 5.164 1 U 7.57e+005 0 e 0 401 405 403 417 43.540 2.142 2.445 1 U 2.01e+006 0 e 0 402 405 404 418 43.556 2.449 2.448 1 U 2.9e+006 0 e 0 402 404 404 419 43.527 2.140 2.133 1 U 1.66e+006 0 e 0 402 405 405 420 43.476 2.449 2.138 1 U 1.62e+006 0 e 0 402 404 405 421 58.304 0.578 4.370 1 U 2.17e+006 0 e 0 409 419 413 422 37.808 4.371 1.973 1 U 3.19e+005 0 e 0 410 413 414 423 11.431 2.523 0.600 1 U 2.46e+005 0 e 0 411 511 419 424 18.466 6.714 0.559 1 U 6.15e+005 0 e 0 412 103 420 425 18.531 6.581 0.561 1 U 4.2e+005 0 e 0 412 104 420 426 18.522 1.976 0.558 1 U 2.51e+006 0 e 0 412 414 420 427 18.543 1.359 0.561 1 U 1.05e+006 0 e 0 412 415 420 428 18.480 0.979 0.560 1 U 1.48e+006 0 e 0 412 416 420 429 31.572 4.576 1.607 1 U 2.25e+005 0 e 0 423 424 426 430 53.857 0.788 5.051 1 U 1.1e+006 0 e 0 430 442 434 431 53.835 1.330 5.049 1 U 4.62e+005 0 e 0 430 436 434 432 53.835 1.705 5.048 1 U 4.27e+005 0 e 0 430 435 434 433 53.788 5.056 5.047 1 U 1.36e+006 0 e 0 430 434 434 434 44.185 1.695 1.330 1 U 2.99e+006 0 e 0 431 435 436 435 44.172 1.499 1.327 1 U 1.71e+006 0 e 0 431 437 436 436 44.247 1.328 1.321 1 U 3.89e+006 0 e 0 431 436 436 437 44.149 0.786 1.336 1 U 9.36e+005 0 e 0 431 442 436 438 44.205 0.774 1.699 1 U 9.2e+005 0 e 0 431 442 435 439 44.197 1.333 1.690 1 U 2.79e+006 0 e 0 431 436 435 440 44.129 1.497 1.693 1 U 1.71e+006 0 e 0 431 437 435 441 44.082 1.694 1.692 1 U 4.62e+006 0 e 0 431 435 435 442 25.198 5.052 0.821 1 U 3.15e+005 0 e 0 432 434 440 443 25.198 3.673 0.824 1 U 2.48e+005 0 e 0 432 472 440 444 25.866 5.056 0.759 1 U 1.68e+005 0 e 0 433 434 441 445 40.351 4.587 3.283 1 U 2.35e+005 0 e 0 444 447 449 446 40.404 3.286 3.287 1 U 2.03e+006 0 e 0 444 449 449 447 40.351 3.099 3.286 1 U 1.73e+006 0 e 0 444 448 449 448 40.351 1.857 3.285 1 U 1.34e+005 0 e 0 444 479 449 449 40.351 1.611 3.285 1 U 2.08e+005 0 e 0 444 480 449 450 40.351 1.617 3.097 1 U 2.54e+005 0 e 0 444 480 448 451 40.351 1.857 3.100 1 U 2.14e+005 0 e 0 444 479 448 452 40.351 7.183 3.286 1 U 5.28e+005 0 e 0 444 452 449 453 40.351 7.189 3.102 1 U 4.9e+005 0 e 0 444 452 448 454 53.783 3.069 4.529 1 U 1.55e+006 0 e 0 462 465 464 455 53.750 2.642 4.530 1 U 1.59e+006 0 e 0 462 466 464 456 44.928 4.412 4.413 1 U 1.14e+006 0 e 0 470 471 471 457 44.928 3.673 4.411 1 U 1.24e+006 0 e 0 470 472 471 458 44.916 3.668 3.670 1 U 1.95e+006 0 e 0 470 472 472 459 44.916 4.412 3.676 1 U 1.14e+006 0 e 0 470 471 472 460 57.489 3.031 4.261 1 U 2.98e+005 0 e 0 476 485 478 461 57.609 0.851 4.262 1 U 2.48e+005 0 e 0 476 497 478 462 59.929 1.722 5.434 1 U 4.68e+005 0 e 0 488 493 492 463 59.925 7.180 5.434 1 U 1.38e+005 0 e 0 488 452 492 464 35.214 5.433 1.721 1 U 3.2e+005 0 e 0 489 492 493 465 20.660 0.389 0.855 1 U 1.33e+006 0 e 0 491 200 497 466 20.672 0.583 0.857 1 U 1.94e+006 0 e 0 491 201 497 467 20.661 1.545 0.858 1 U 3.01e+006 0 e 0 491 222 497 468 20.670 1.729 0.853 1 U 3.73e+006 0 e 0 491 493 497 469 20.625 5.439 0.853 1 U 6.81e+005 0 e 0 491 492 497 470 20.580 6.590 0.860 1 U 4.14e+005 0 e 0 491 104 497 471 20.521 6.712 0.851 1 U 1.67e+005 0 e 0 491 103 497 472 54.424 0.752 4.673 1 U 9.05e+005 0 e 0 500 235 502 473 34.729 6.690 2.014 1 U 3.28e+005 0 e 0 501 453 504 474 34.687 6.688 2.133 1 U 2.34e+005 0 e 0 501 453 503 475 59.042 2.528 4.683 1 U 6.68e+005 0 e 0 507 511 509 476 59.055 2.903 4.684 1 U 8.46e+005 0 e 0 507 510 509 477 59.055 4.368 4.685 1 U 3.1e+005 0 e 0 507 413 509 478 28.306 4.690 2.901 1 U 1.58e+005 0 e 0 508 509 510 479 28.306 4.385 2.902 1 U 1.46e+005 0 e 0 508 413 510 480 28.306 4.696 2.517 1 U 9.48e+004 0 e 0 508 509 511 481 28.306 1.520 2.513 1 U 1.44e+005 0 e 0 508 544 511 482 28.306 1.514 2.902 1 U 8.28e+004 0 e 0 508 544 510 483 28.393 0.593 2.900 1 U 6.83e+005 0 e 0 508 419 510 484 28.306 0.600 2.517 1 U 3.32e+005 0 e 0 508 419 511 485 30.002 4.174 2.044 1 U 6.07e+005 0 e 0 523 525 526 486 30.002 0.764 2.053 1 U 4.31e+005 0 e 0 523 399 526 487 30.002 0.758 1.946 1 U 5.45e+005 0 e 0 523 399 527 488 54.366 1.533 4.449 1 U 2.62e+006 0 e 0 535 544 540 489 54.369 1.983 4.449 1 U 1.54e+005 0 e 0 535 335 540 490 43.652 4.448 1.536 1 U 9.31e+005 0 e 0 536 540 544 491 43.575 2.520 1.540 1 U 3.23e+005 0 e 0 536 511 544 492 43.566 2.921 1.537 1 U 1.5e+005 0 e 0 536 510 544 493 26.118 4.450 0.784 1 U 5.42e+005 0 e 0 537 540 545 494 26.169 3.723 0.784 1 U 3.26e+005 0 e 0 537 567 545 495 26.094 2.540 0.783 1 U 1.68e+005 0 e 0 537 511 545 496 24.350 4.452 0.790 1 U 3.08e+006 0 e 0 538 540 546 497 53.575 3.250 4.710 1 U 6.84e+005 0 e 0 548 557 550 498 53.679 1.784 4.710 1 U 1.02e+006 0 e 0 548 552 550 499 53.668 3.731 4.707 1 U 2.64e+006 0 e 0 548 567 550 500 54.620 2.669 4.511 1 U 3.77e+006 0 e 0 570 575 572 501 40.575 4.514 2.665 1 U 2.28e+006 0 e 0 571 572 575 502 21.183 4.018 0.699 1 U 2.07e+006 0 e 0 579 581 585 503 21.123 4.169 0.699 1 U 3.34e+005 0 e 0 579 286 585 504 21.199 1.982 0.699 1 U 4.44e+006 0 e 0 579 582 585 505 21.123 7.286 0.702 1 U 4.02e+005 0 e 0 579 597 585 506 20.630 7.297 0.787 1 U 2.67e+005 0 e 0 580 597 586 507 20.693 4.016 0.787 1 U 2.03e+006 0 e 0 580 581 586 508 20.727 4.164 0.788 1 U 1.97e+005 0 e 0 580 286 586 509 20.691 1.982 0.785 1 U 4.36e+006 0 e 0 580 582 586 510 58.440 7.250 4.581 1 U 1.12e+006 0 e 0 589 597 592 511 39.616 7.280 3.187 1 U 4.95e+005 0 e 0 590 597 593 512 39.616 7.274 2.990 1 U 6.58e+005 0 e 0 590 597 594 513 39.616 4.585 3.187 1 U 4.9e+005 0 e 0 590 592 593 514 39.616 4.573 2.990 1 U 3.89e+005 0 e 0 590 592 594 515 19.432 4.295 1.386 1 U 3.57e+006 0 e 0 605 606 609 516 19.321 2.991 1.385 1 U 1.73e+005 0 e 0 605 594 609 517 19.321 1.977 1.385 1 U 1.96e+005 0 e 0 605 582 609 518 17.361 3.842 1.829 1 U 3.33e+005 0 e 0 4 5 7 519 17.240 4.579 1.830 1 U 5.01e+005 0 e 0 4 447 7 520 17.312 6.690 1.829 1 U 7.5e+005 0 e 0 4 453 7 521 17.240 7.180 1.829 1 U 1.76e+005 0 e 0 4 452 7 522 17.240 1.151 1.830 1 U 1.08e+006 0 e 0 4 32 7 523 17.240 1.339 1.830 1 U 1.67e+006 0 e 0 4 31 7 524 17.967 3.712 1.977 1 U 1.27e+006 0 e 0 326 296 335 525 17.967 2.657 1.978 1 U 3.08e+006 0 e 0 326 336 335 526 31.572 6.682 1.612 1 U 2.41e+005 0 e 0 423 453 426 527 53.842 5.065 5.167 1 U 4.66e+005 0 e 0 401 56 403 528 53.788 5.434 5.053 1 U 2.43e+005 0 e 0 430 492 434 529 14.201 7.713 0.658 1 U 9.52e+004 0 e 0 40 145 49 530 25.127 6.709 0.821 1 U 6.46e+005 0 e 0 432 103 440 531 25.169 6.585 0.822 1 U 7.21e+005 0 e 0 432 104 440 532 25.198 7.719 0.822 1 U 7.73e+004 0 e 0 432 145 440 533 25.097 5.418 0.825 1 U 1.36e+005 0 e 0 432 492 440 534 26.369 6.720 1.419 1 U 1.3e+005 0 e 0 41 103 45 535 32.903 6.698 1.694 1 U 6.23e+005 0 e 0 130 144 134 536 26.013 7.716 0.757 1 U 2.16e+005 0 e 0 433 145 441 537 26.052 6.704 0.761 1 U 5.81e+005 0 e 0 433 103 441 538 25.970 6.581 0.760 1 U 6.69e+005 0 e 0 433 104 441 539 22.386 6.584 0.753 1 U 5.98e+005 0 e 0 490 104 496 540 22.300 6.706 0.755 1 U 2.09e+005 0 e 0 490 103 496 541 32.172 4.129 2.177 1 U 7.2e+005 0 e 0 338 307 342 542 58.361 3.849 4.577 1 U 7.43e+005 0 e 0 443 5 447 543 41.101 3.914 1.799 1 U 3.21e+005 0 e 0 191 167 195 544 41.101 3.908 1.646 1 U 1.82e+005 0 e 0 191 167 196 545 18.071 4.171 1.977 1 U 9.31e+005 0 e 0 326 328 335 546 51.160 2.018 3.620 1 U 5.88e+005 0 e 0 54 89 59 547 55.126 1.684 4.569 1 U 2.16e+006 0 e 0 9 18 13 548 24.849 1.684 1.372 1 U 3.72e+006 0 e 0 12 18 21 ; 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 . . C 13 C-aliphatic 3 aliased 64 ppm . . . 41.5 . . 30310 2 2 . . H 1 H-aliphatic . aliased 12 ppm . . . 4.86 . . 30310 2 3 . . H 1 H-aliphatic 1 . 12 ppm . . . 4.86 . . 30310 2 stop_ save_