######################### # 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 30916 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H1 #INAME 2 H1 12 3.925 8.624 1 U 7.407e+05 0.00e+00 e 0 6 9 0 16 4.158 8.624 1 U 5.267e+05 0.00e+00 e 0 11 9 0 17 4.125 8.624 1 U 3.306e+05 0.00e+00 e 0 12 9 0 21 4.158 4.125 1 U 1.991e+07 0.00e+00 e 0 11 12 0 26 4.158 8.688 1 U 9.293e+05 0.00e+00 e 0 11 16 0 27 4.125 8.688 1 U 1.454e+06 0.00e+00 e 0 12 16 0 31 4.586 8.688 1 U 9.249e+05 0.00e+00 e 0 18 16 0 32 3.438 8.688 1 U 1.899e+06 0.00e+00 e 0 20 16 0 33 2.869 8.688 1 U 1.380e+06 0.00e+00 e 0 21 16 0 36 3.438 2.869 1 U 9.406e+06 0.00e+00 e 0 20 21 0 40 4.586 3.438 1 U 1.883e+06 0.00e+00 e 0 18 20 0 41 4.586 2.869 1 U 7.073e+05 0.00e+00 e 0 18 21 0 48 4.586 8.635 1 U 3.283e+05 0.00e+00 e 0 18 25 0 49 3.438 8.635 1 U 2.568e+05 0.00e+00 e 0 20 25 0 50 2.869 8.635 1 U 1.089e+06 0.00e+00 e 0 21 25 0 55 4.452 8.635 1 U 6.477e+05 0.00e+00 e 0 27 25 0 56 3.322 8.635 1 U 3.286e+05 0.00e+00 e 0 30 25 0 57 2.798 8.635 1 U 1.980e+06 0.00e+00 e 0 29 25 0 60 3.322 2.798 1 U 1.344e+07 0.00e+00 e 0 30 29 0 64 4.452 3.322 1 U 2.203e+06 0.00e+00 e 0 27 30 0 65 4.452 2.798 1 U 8.554e+05 0.00e+00 e 0 27 29 0 72 4.452 7.937 1 U 1.712e+05 0.00e+00 e 0 27 34 0 73 3.322 7.937 1 U 2.340e+05 0.00e+00 e 0 30 34 0 74 2.798 7.937 1 U 3.211e+05 0.00e+00 e 0 29 34 0 75 7.937 8.635 1 U 1.012e+06 0.00e+00 e 0 34 25 0 79 4.422 7.937 1 U 6.915e+05 0.00e+00 e 0 36 34 0 81 3.826 7.937 1 U 1.383e+06 0.00e+00 e 0 40 34 0 88 4.422 3.826 1 U 3.750e+06 0.00e+00 e 0 36 40 0 95 7.937 8.233 1 U 1.328e+06 0.00e+00 e 0 34 44 0 96 4.422 8.233 1 U 6.652e+05 0.00e+00 e 0 36 44 0 98 3.826 8.233 1 U 2.759e+05 0.00e+00 e 0 40 44 0 103 5.269 8.233 1 U 1.239e+06 0.00e+00 e 0 46 44 0 104 3.369 8.233 1 U 2.293e+06 0.00e+00 e 0 50 44 0 106 3.369 7.337 1 U 7.431e+05 0.00e+00 e 0 50 57 0 108 3.369 8.597 1 U 9.839e+04 0.00e+00 e 0 50 58 0 110 7.337 8.597 1 U 6.669e+04 0.00e+00 e 0 57 58 0 122 5.269 3.369 1 U 2.443e+06 0.00e+00 e 0 46 50 0 138 4.029 2.403 1 U 2.089e+05 0.00e+00 e 0 72 65 0 139 3.944 2.403 1 U 2.462e+05 0.00e+00 e 0 73 65 0 140 2.183 1.998 1 U 1.365e+06 0.00e+00 e 0 69 66 0 141 2.049 1.998 1 U 9.061e+06 0.00e+00 e 0 70 66 0 142 4.029 1.998 1 U 5.724e+05 0.00e+00 e 0 72 66 0 143 3.944 1.998 1 U 5.864e+05 0.00e+00 e 0 73 66 0 145 4.029 2.183 1 U 1.180e+06 0.00e+00 e 0 72 69 0 146 3.944 2.183 1 U 1.775e+06 0.00e+00 e 0 73 69 0 147 4.029 2.049 1 U 4.637e+05 0.00e+00 e 0 72 70 0 148 3.944 2.049 1 U 7.285e+05 0.00e+00 e 0 73 70 0 150 4.250 2.403 1 U 1.659e+06 0.00e+00 e 0 63 65 0 151 4.250 1.998 1 U 3.950e+05 0.00e+00 e 0 63 66 0 152 4.250 2.183 1 U 3.630e+05 0.00e+00 e 0 63 69 0 153 4.250 2.049 1 U 9.897e+05 0.00e+00 e 0 63 70 0 154 4.250 4.029 1 U 9.136e+04 0.00e+00 e 0 63 72 0 155 4.250 3.944 1 U 1.448e+05 0.00e+00 e 0 63 73 0 156 2.403 1.998 1 U 6.764e+06 0.00e+00 e 0 65 66 0 157 2.403 2.183 1 U 1.756e+06 0.00e+00 e 0 65 69 0 158 2.403 2.049 1 U 6.333e+05 0.00e+00 e 0 65 70 0 165 2.183 2.049 1 U 8.455e+06 0.00e+00 e 0 69 70 0 170 4.029 3.944 1 U 9.108e+06 0.00e+00 e 0 72 73 0 178 4.250 8.697 1 U 2.163e+05 0.00e+00 e 0 63 77 0 179 2.403 8.697 1 U 6.705e+04 0.00e+00 e 0 65 77 0 180 1.998 8.697 1 U 4.346e+05 0.00e+00 e 0 66 77 0 184 4.192 8.697 1 U 5.194e+05 0.00e+00 e 0 79 77 0 185 1.387 8.697 1 U 1.495e+06 0.00e+00 e 0 80 77 0 189 4.192 1.387 1 U 4.962e+06 0.00e+00 e 0 79 80 0 194 4.192 7.586 1 U 6.472e+05 0.00e+00 e 0 79 87 0 195 1.387 7.586 1 U 5.928e+05 0.00e+00 e 0 80 87 0 196 7.586 8.697 1 U 5.369e+05 0.00e+00 e 0 87 77 0 199 4.394 7.586 1 U 4.914e+05 0.00e+00 e 0 89 87 0 200 4.181 7.586 1 U 8.805e+04 0.00e+00 e 0 91 87 0 201 3.261 7.586 1 U 1.049e+06 0.00e+00 e 0 92 87 0 204 4.181 3.261 1 U 8.485e+06 0.00e+00 e 0 91 92 0 208 4.394 4.181 1 U 2.135e+06 0.00e+00 e 0 89 91 0 209 4.394 3.261 1 U 2.636e+06 0.00e+00 e 0 89 92 0 215 7.586 8.649 1 U 2.076e+06 0.00e+00 e 0 87 96 0 216 4.394 8.649 1 U 4.095e+05 0.00e+00 e 0 89 96 0 217 4.181 8.649 1 U 8.464e+05 0.00e+00 e 0 91 96 0 218 3.261 8.649 1 U 4.042e+05 0.00e+00 e 0 92 96 0 223 4.087 8.649 1 U 1.029e+06 0.00e+00 e 0 98 96 0 224 1.468 8.649 1 U 2.240e+06 0.00e+00 e 0 99 96 0 228 4.087 1.468 1 U 1.939e+06 0.00e+00 e 0 98 99 0 233 4.087 7.949 1 U 6.463e+05 0.00e+00 e 0 98 106 0 234 1.468 7.949 1 U 9.241e+05 0.00e+00 e 0 99 106 0 235 7.949 8.649 1 U 1.157e+06 0.00e+00 e 0 106 96 0 238 4.105 7.949 1 U 7.974e+05 0.00e+00 e 0 108 106 0 239 1.429 7.949 1 U 3.032e+06 0.00e+00 e 0 109 106 0 243 4.105 1.429 1 U 4.221e+06 0.00e+00 e 0 108 109 0 248 4.105 7.313 1 U 9.682e+04 0.00e+00 e 0 108 116 0 249 1.429 7.313 1 U 2.649e+05 0.00e+00 e 0 109 116 0 250 7.313 7.949 1 U 8.226e+05 0.00e+00 e 0 116 106 0 253 4.917 7.313 1 U 2.875e+05 0.00e+00 e 0 118 116 0 254 3.018 7.313 1 U 1.027e+05 0.00e+00 e 0 120 116 0 255 2.723 7.313 1 U 5.775e+05 0.00e+00 e 0 121 116 0 256 3.018 7.571 1 U 1.045e+05 0.00e+00 e 0 120 125 0 257 2.723 7.571 1 U 5.384e+05 0.00e+00 e 0 121 125 0 258 3.018 6.901 1 U 2.935e+04 0.00e+00 e 0 120 126 0 259 2.723 6.901 1 U 3.906e+05 0.00e+00 e 0 121 126 0 263 3.018 2.723 1 U 4.406e+06 0.00e+00 e 0 120 121 0 271 6.901 7.571 1 U 3.742e+07 0.00e+00 e 0 126 125 0 272 4.917 3.018 1 U 1.061e+06 0.00e+00 e 0 118 120 0 273 4.917 2.723 1 U 5.739e+05 0.00e+00 e 0 118 121 0 281 7.313 7.782 1 U 1.539e+06 0.00e+00 e 0 116 130 0 282 4.917 7.782 1 U 4.162e+05 0.00e+00 e 0 118 130 0 283 3.018 7.782 1 U 6.101e+04 0.00e+00 e 0 120 130 0 284 2.723 7.782 1 U 2.650e+05 0.00e+00 e 0 121 130 0 289 5.133 7.782 1 U 7.953e+05 0.00e+00 e 0 132 130 0 290 2.831 7.782 1 U 2.595e+05 0.00e+00 e 0 134 130 0 291 2.548 7.782 1 U 1.106e+06 0.00e+00 e 0 135 130 0 292 2.831 7.639 1 U 4.774e+05 0.00e+00 e 0 134 139 0 293 2.548 7.639 1 U 1.312e+06 0.00e+00 e 0 135 139 0 294 2.831 7.225 1 U 6.904e+04 0.00e+00 e 0 134 140 0 295 2.548 7.225 1 U 1.104e+05 0.00e+00 e 0 135 140 0 299 2.831 2.548 1 U 9.479e+06 0.00e+00 e 0 134 135 0 307 7.225 7.639 1 U 1.408e+07 0.00e+00 e 0 140 139 0 308 5.133 2.831 1 U 1.490e+06 0.00e+00 e 0 132 134 0 309 5.133 2.548 1 U 1.032e+06 0.00e+00 e 0 132 135 0 317 7.782 8.687 1 U 7.079e+05 0.00e+00 e 0 130 144 0 318 5.133 8.687 1 U 9.530e+05 0.00e+00 e 0 132 144 0 319 2.831 8.687 1 U 5.257e+05 0.00e+00 e 0 134 144 0 320 2.548 8.687 1 U 2.698e+04 0.00e+00 e 0 135 144 0 325 4.018 8.687 1 U 5.432e+05 0.00e+00 e 0 146 144 0 326 2.102 8.687 1 U 4.126e+05 0.00e+00 e 0 148 144 0 327 2.036 8.687 1 U 1.282e+06 0.00e+00 e 0 149 144 0 328 2.426 8.687 1 U 5.611e+05 0.00e+00 e 0 154 144 0 331 2.426 7.483 1 U 6.773e+04 0.00e+00 e 0 154 157 0 332 2.426 6.905 1 U 5.323e+04 0.00e+00 e 0 154 158 0 338 2.426 2.102 1 U 1.367e+06 0.00e+00 e 0 154 148 0 339 2.426 2.036 1 U 1.527e+06 0.00e+00 e 0 154 149 0 348 6.905 7.483 1 U 1.812e+07 0.00e+00 e 0 158 157 0 349 4.018 2.102 1 U 1.014e+06 0.00e+00 e 0 146 148 0 351 4.018 2.426 1 U 4.556e+05 0.00e+00 e 0 146 154 0 352 2.102 2.036 1 U 7.420e+06 0.00e+00 e 0 148 149 0 362 8.687 8.726 1 U 2.175e+06 0.00e+00 e 0 144 162 0 363 4.018 8.726 1 U 2.942e+05 0.00e+00 e 0 146 162 0 364 2.102 8.726 1 U 2.504e+05 0.00e+00 e 0 148 162 0 365 2.036 8.726 1 U 3.147e+05 0.00e+00 e 0 149 162 0 366 2.426 8.726 1 U 9.963e+04 0.00e+00 e 0 154 162 0 372 4.458 8.726 1 U 6.715e+05 0.00e+00 e 0 164 162 0 373 2.830 8.726 1 U 1.962e+06 0.00e+00 e 0 168 162 0 381 4.458 2.831 1 U 2.332e+06 0.00e+00 e 0 164 168 0 388 7.808 8.726 1 U 1.093e+06 0.00e+00 e 0 173 162 0 393 4.458 7.808 1 U 3.639e+05 0.00e+00 e 0 164 173 0 395 2.830 7.808 1 U 1.034e+06 0.00e+00 e 0 168 173 0 396 4.604 7.808 1 U 6.979e+05 0.00e+00 e 0 175 173 0 397 3.247 7.808 1 U 1.481e+06 0.00e+00 e 0 177 173 0 398 2.980 7.808 1 U 1.568e+06 0.00e+00 e 0 178 173 0 399 3.247 7.210 1 U 2.495e+06 0.00e+00 e 0 177 180 0 400 2.980 7.210 1 U 2.581e+06 0.00e+00 e 0 178 180 0 403 7.210 7.206 1 U 3.951e+07 0.00e+00 e 0 180 181 0 406 3.247 2.980 1 U 1.029e+07 0.00e+00 e 0 177 178 0 414 7.206 7.210 1 U 5.208e+07 0.00e+00 e 0 181 180 0 415 4.604 3.247 1 U 1.053e+06 0.00e+00 e 0 175 177 0 416 4.604 2.980 1 U 9.684e+05 0.00e+00 e 0 175 178 0 422 7.808 8.180 1 U 2.718e+06 0.00e+00 e 0 173 196 0 423 4.604 8.180 1 U 6.293e+05 0.00e+00 e 0 175 196 0 424 3.247 8.180 1 U 6.836e+05 0.00e+00 e 0 177 196 0 425 2.980 8.180 1 U 1.135e+06 0.00e+00 e 0 178 196 0 430 4.667 8.180 1 U 1.551e+06 0.00e+00 e 0 198 196 0 431 3.298 8.180 1 U 5.027e+05 0.00e+00 e 0 200 196 0 432 2.695 8.180 1 U 2.642e+06 0.00e+00 e 0 201 196 0 435 3.298 2.695 1 U 1.187e+07 0.00e+00 e 0 200 201 0 439 4.667 3.298 1 U 8.914e+05 0.00e+00 e 0 198 200 0 440 4.667 2.695 1 U 1.044e+06 0.00e+00 e 0 198 201 0 446 5.269 4.029 1 U 3.932e+06 0.00e+00 e 0 46 72 0 447 5.269 3.944 1 U 2.592e+06 0.00e+00 e 0 46 73 0 449 4.667 7.389 1 U 9.530e+04 0.00e+00 e 0 198 205 0 454 5.132 8.726 3 U 1.281e+05 0.00e+00 e 0 132 162 0 455 3.944 8.700 3 U 2.846e+05 0.00e+00 e 0 73 77 0 456 3.360 8.698 3 U 1.394e+05 0.00e+00 e 0 50 77 0 457 4.919 8.687 3 U 7.084e+04 0.00e+00 e 0 118 144 0 458 4.256 8.650 3 U 4.063e+05 0.00e+00 e 0 63 96 0 459 3.363 8.650 3 U 1.924e+05 0.00e+00 e 0 50 96 0 460 4.193 7.948 3 U 3.605e+05 0.00e+00 e 0 79 106 0 461 4.256 7.948 3 U 1.258e+05 0.00e+00 e 0 63 106 0 462 2.721 7.947 3 U 5.025e+04 0.00e+00 e 0 121 106 0 463 2.828 8.180 3 U 4.701e+05 0.00e+00 e 0 134 196 0 464 4.015 7.808 3 U 6.151e+04 0.00e+00 e 0 146 173 0 465 4.015 8.179 3 U 4.637e+05 0.00e+00 e 0 146 196 0 466 2.555 8.181 3 U 6.224e+04 0.00e+00 e 0 135 196 0 467 4.458 8.180 3 U 5.979e+04 0.00e+00 e 0 164 196 0 468 2.725 7.641 3 U 3.281e+05 0.00e+00 e 0 121 139 0 469 3.016 7.642 3 U 1.545e+05 0.00e+00 e 0 120 139 0 470 3.257 7.642 3 U 7.784e+04 0.00e+00 e 0 92 139 0 471 3.370 7.585 3 U 6.614e+05 0.00e+00 e 0 50 87 0 472 7.309 7.390 1 U 1.748e+07 0.00e+00 e 0 206 205 0 473 2.695 7.391 3 U 2.284e+05 0.00e+00 e 0 201 205 0 474 3.298 7.390 3 U 9.968e+04 0.00e+00 e 0 200 205 0 475 2.103 7.389 3 U 4.858e+04 0.00e+00 e 0 148 205 0 476 2.103 7.312 3 U 1.430e+04 0.00e+00 e 0 148 206 0 477 2.695 7.311 3 U 1.444e+05 0.00e+00 e 0 201 206 0 478 3.298 7.313 3 U 8.654e+04 0.00e+00 e 0 200 206 0 479 4.010 7.313 3 U 9.155e+04 0.00e+00 e 0 146 206 0 480 4.014 7.389 3 U 2.036e+05 0.00e+00 e 0 146 205 0 481 4.457 7.390 3 U 8.815e+04 0.00e+00 e 0 164 205 0 482 4.464 7.312 3 U 2.775e+04 0.00e+00 e 0 164 206 0 483 4.673 7.312 3 U 9.402e+04 0.00e+00 e 0 198 206 0 484 7.309 8.179 3 U 4.457e+05 0.00e+00 e 0 206 196 0 485 7.391 8.180 3 U 9.305e+05 0.00e+00 e 0 205 196 0 486 2.192 8.699 3 U 9.273e+04 0.00e+00 e 0 69 77 0 487 3.262 7.336 3 U 1.195e+05 0.00e+00 e 0 92 57 0 488 3.829 7.337 3 U 6.952e+04 0.00e+00 e 0 40 57 0 489 4.187 7.337 3 U 1.660e+05 0.00e+00 e 0 91 57 0 490 4.581 7.337 3 U 3.933e+05 0.00e+00 e 0 18 57 0 492 3.819 8.596 3 U 6.124e+04 0.00e+00 e 0 40 58 0 493 3.815 8.625 3 U 4.798e+04 0.00e+00 e 0 40 25 0 494 7.206 8.688 4 U 7.487e+04 0.00e+00 e 0 181 16 0 495 7.203 8.635 4 U 1.163e+05 0.00e+00 e 0 181 25 0 496 7.206 8.181 3 U 3.534e+05 0.00e+00 e 0 180 196 0 497 7.210 7.809 3 U 3.207e+05 0.00e+00 e 0 180 173 0 498 1.440 6.907 3 U 1.139e+05 0.00e+00 e 0 109 158 0 499 1.390 6.900 3 U 1.232e+05 0.00e+00 e 0 80 126 0 502 2.546 7.209 3 U 4.140e+05 0.00e+00 e 0 135 140 0 503 2.837 7.211 4 U 2.071e+06 0.00e+00 e 0 21 180 0 504 2.695 7.209 3 U 1.038e+05 0.00e+00 e 0 201 180 0 505 3.436 7.210 4 U 3.088e+05 0.00e+00 e 0 20 180 0 506 1.468 8.233 3 U 7.337e+04 0.00e+00 e 0 99 44 0 507 3.932 8.233 3 U 4.927e+04 0.00e+00 e 0 73 44 0 508 4.099 7.780 3 U 3.041e+05 0.00e+00 e 0 98 130 0 509 1.433 7.780 3 U 1.390e+05 0.00e+00 e 0 109 130 0 510 2.422 7.778 3 U 8.890e+04 0.00e+00 e 0 154 130 0 511 5.270 8.597 3 U 4.054e+04 0.00e+00 e 0 46 58 0 513 2.401 7.950 3 U 3.521e+04 0.00e+00 e 0 65 106 0 514 2.009 7.950 3 U 2.319e+04 0.00e+00 e 0 66 106 0 515 4.392 7.642 3 U 2.815e+05 0.00e+00 e 0 89 139 0 516 4.088 7.643 3 U 8.887e+04 0.00e+00 e 0 98 139 0 517 4.183 7.642 3 U 6.792e+04 0.00e+00 e 0 91 139 0 518 5.134 7.644 3 U 7.898e+04 0.00e+00 e 0 132 139 0 519 1.444 7.485 3 U 4.190e+04 0.00e+00 e 0 109 157 0 520 4.600 7.212 3 U 1.214e+06 0.00e+00 e 0 175 180 0 521 4.673 7.212 3 U 2.961e+05 0.00e+00 e 0 198 180 0 522 4.398 7.211 3 U 9.301e+04 0.00e+00 e 0 89 140 0 524 4.398 6.901 3 U 3.523e+04 0.00e+00 e 0 89 126 0 526 7.578 7.949 3 U 4.069e+05 0.00e+00 e 0 87 106 0 527 2.727 7.228 3 U 7.716e+04 0.00e+00 e 0 121 140 0 528 3.021 7.226 3 U 8.706e+04 0.00e+00 e 0 120 140 0 529 4.196 3.363 3 U 1.538e+06 0.00e+00 e 0 91 50 0 530 4.021 3.364 3 U 1.783e+05 0.00e+00 e 0 72 50 0 531 3.945 3.362 3 U 3.943e+05 0.00e+00 e 0 73 50 0 532 4.397 3.361 3 U 1.806e+05 0.00e+00 e 0 89 50 0 533 4.585 3.361 3 U 4.544e+05 0.00e+00 e 0 18 50 0 534 4.255 1.471 3 U 1.462e+06 0.00e+00 e 0 63 99 0 535 4.456 1.471 3 U 2.059e+06 0.00e+00 e 0 27 99 0 536 3.298 1.471 3 U 9.109e+05 0.00e+00 e 0 200 99 0 537 2.695 1.471 3 U 5.063e+05 0.00e+00 e 0 201 99 0 538 4.199 1.429 3 U 3.397e+05 0.00e+00 e 0 79 109 0 539 5.271 2.179 3 U 1.253e+05 0.00e+00 e 0 46 69 0 540 5.271 2.012 3 U 7.844e+04 0.00e+00 e 0 46 66 0 542 4.087 2.552 3 U 4.017e+05 0.00e+00 e 0 98 135 0 543 4.084 2.832 3 U 2.081e+05 0.00e+00 e 0 98 134 0 544 4.090 2.695 3 U 4.215e+05 0.00e+00 e 0 98 201 0 545 4.014 2.695 3 U 6.097e+05 0.00e+00 e 0 146 201 0 546 4.014 3.298 3 U 7.735e+04 0.00e+00 e 0 146 200 0 547 4.093 3.298 3 U 1.585e+05 0.00e+00 e 0 98 200 0 548 4.453 3.298 3 U 1.522e+05 0.00e+00 e 0 27 200 0 549 4.103 2.428 3 U 3.320e+05 0.00e+00 e 0 108 154 0 550 4.017 2.035 1 U 1.853e+05 0.00e+00 e 0 146 149 0 551 4.671 3.326 3 U 1.513e+05 0.00e+00 e 0 198 30 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 . . 9.9972 ppm . . . 4.695 . . 30916 1 2 . . H 1 H . . 9.9972 ppm . . . 4.695 . . 30916 1 stop_ save_