######################### # 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 30281 _Spectral_peak_list.ID 1 _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 1 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _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 2 # INAME 1 H # INAME 2 h # CYANAFORMAT Hh 2 3.870 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0 0 0 0 245 0.907 7.447 1 T 1.806e+05 0.00e+00 a 0 0 0 0 246 0.845 7.323 1 T 5.722e+05 0.00e+00 a 0 0 0 0 247 0.912 7.323 1 T 5.544e+05 0.00e+00 a 0 0 0 0 248 0.841 7.287 1 T 1.596e+06 0.00e+00 a 0 0 0 0 249 0.911 7.284 1 T 9.964e+05 0.00e+00 a 0 0 0 0 250 0.844 7.208 1 T 1.321e+06 0.00e+00 a 0 0 0 0 251 0.912 7.207 1 T 1.286e+06 0.00e+00 a 0 0 0 0 252 0.841 7.121 1 T 1.402e+06 0.00e+00 a 0 0 0 0 253 0.914 7.125 1 T 7.959e+05 0.00e+00 a 0 0 0 0 254 1.106 7.116 1 T 2.348e+05 0.00e+00 a 0 0 0 0 255 0.881 7.078 1 T 2.659e+05 0.00e+00 a 0 0 0 0 256 0.894 6.787 1 T 1.525e+05 0.00e+00 a 0 0 0 0 257 1.283 7.130 1 T 9.136e+05 0.00e+00 a 0 0 0 0 258 1.286 7.211 1 T 4.175e+05 0.00e+00 a 0 0 0 0 259 1.288 7.290 1 T 7.115e+05 0.00e+00 a 0 0 0 0 260 1.286 7.323 1 T 2.240e+05 0.00e+00 a 0 0 0 0 261 1.288 7.524 1 T 2.561e+05 0.00e+00 a 0 0 0 0 262 1.421 7.122 1 T 3.402e+05 0.00e+00 a 0 0 0 0 263 1.509 7.132 1 T 2.902e+05 0.00e+00 a 0 0 0 0 264 1.613 7.127 1 T 2.584e+05 0.00e+00 a 0 0 0 0 265 1.607 7.210 1 T 2.832e+05 0.00e+00 a 0 0 0 0 266 1.513 7.208 1 T 5.158e+05 0.00e+00 a 0 0 0 0 267 1.514 7.325 1 T 2.675e+05 0.00e+00 a 0 0 0 0 268 1.511 7.289 1 T 3.245e+05 0.00e+00 a 0 0 0 0 269 1.610 7.288 1 T 3.797e+05 0.00e+00 a 0 0 0 0 270 2.067 7.285 1 T 5.056e+05 0.00e+00 a 0 0 0 0 271 2.001 7.286 1 T 4.310e+05 0.00e+00 a 0 0 0 0 272 1.921 7.290 1 T 4.097e+05 0.00e+00 a 0 0 0 0 273 1.919 7.545 1 T 3.964e+05 0.00e+00 a 0 0 0 0 274 2.037 7.548 1 T 2.795e+05 0.00e+00 a 0 0 0 0 275 2.068 7.208 1 T 6.064e+05 0.00e+00 a 0 0 0 0 276 2.019 7.209 1 T 3.349e+05 0.00e+00 a 0 0 0 0 277 1.889 7.208 1 T 2.868e+05 0.00e+00 a 0 0 0 0 278 1.772 7.210 1 T 2.709e+05 0.00e+00 a 0 0 0 0 279 1.771 7.130 1 T 4.392e+05 0.00e+00 a 0 0 0 0 280 1.923 7.126 1 T 3.598e+05 0.00e+00 a 0 0 0 0 281 2.011 7.128 1 T 3.839e+05 0.00e+00 a 0 0 0 0 282 2.059 7.129 1 T 4.231e+05 0.00e+00 a 0 0 0 0 283 2.050 7.076 1 T 1.444e+05 0.00e+00 a 0 0 0 0 284 1.927 7.077 1 T 1.922e+05 0.00e+00 a 0 0 0 0 285 1.926 6.879 1 T 3.014e+05 0.00e+00 a 0 0 0 0 286 2.054 6.787 1 T 1.154e+05 0.00e+00 a 0 0 0 0 287 1.942 6.788 1 T 2.297e+05 0.00e+00 a 0 0 0 0 288 2.254 7.292 1 T 6.302e+05 0.00e+00 a 0 0 0 0 289 2.262 7.123 1 T 7.301e+05 0.00e+00 a 0 0 0 0 290 2.262 7.211 1 T 3.969e+05 0.00e+00 a 0 0 0 0 291 3.207 7.294 1 T 2.346e+05 0.00e+00 a 0 0 0 0 292 3.125 7.288 1 T 3.250e+05 0.00e+00 a 0 0 0 0 293 3.199 7.210 1 T 2.919e+05 0.00e+00 a 0 0 0 0 294 3.202 7.117 1 T 7.512e+05 0.00e+00 a 0 0 0 0 296 3.995 7.120 1 T 3.980e+05 0.00e+00 a 0 0 0 0 297 4.175 7.130 1 T 8.813e+05 0.00e+00 a 0 0 0 0 298 4.177 7.112 1 T 7.601e+05 0.00e+00 a 0 0 0 0 299 4.471 7.115 1 T 1.360e+06 0.00e+00 a 0 0 0 0 300 4.575 7.133 1 T 2.178e+06 0.00e+00 a 0 178 189 0 301 4.541 7.075 1 T 1.203e+06 0.00e+00 a 0 0 0 0 302 4.213 7.076 1 T 1.897e+05 0.00e+00 a 0 0 0 0 303 4.140 7.210 1 T 4.067e+05 0.00e+00 a 0 0 0 0 304 4.238 7.209 1 T 4.117e+05 0.00e+00 a 0 0 0 0 305 4.543 7.207 1 T 1.416e+06 0.00e+00 a 0 0 0 0 306 4.545 7.326 1 T 4.448e+05 0.00e+00 a 0 0 0 0 307 4.472 7.292 1 T 5.733e+05 0.00e+00 a 0 0 0 0 308 4.224 7.287 1 T 5.329e+05 0.00e+00 a 0 0 0 0 309 4.166 7.286 1 T 7.391e+05 0.00e+00 a 0 0 0 0 310 4.160 7.319 1 T 4.313e+05 0.00e+00 a 0 0 0 0 311 4.215 7.321 1 T 2.518e+05 0.00e+00 a 0 0 0 0 312 4.468 7.849 1 T 2.531e+05 0.00e+00 a 0 0 0 0 313 4.386 7.963 1 T 2.195e+05 0.00e+00 a 0 0 0 0 314 4.543 6.790 1 T 3.211e+05 0.00e+00 a 0 0 0 0 315 4.207 6.787 1 T 8.240e+04 0.00e+00 a 0 0 0 0 316 4.624 4.234 1 T 2.632e+05 0.00e+00 a 0 0 0 0 318 3.998 2.249 1 T 2.557e+05 0.00e+00 a 0 0 0 0 319 3.992 1.961 1 T 6.172e+05 0.00e+00 a 0 0 0 0 320 3.995 1.747 1 T 8.313e+05 0.00e+00 a 0 0 0 0 321 4.500 2.519 1 T 4.543e+05 0.00e+00 a 0 0 0 0 322 4.497 2.589 1 T 3.086e+05 0.00e+00 a 0 0 0 0 323 4.630 2.641 1 T 1.092e+06 0.00e+00 a 0 0 0 0 324 4.627 2.760 1 T 3.768e+05 0.00e+00 a 0 0 0 0 325 4.469 2.841 1 T 1.322e+06 0.00e+00 a 0 0 0 0 326 4.469 3.203 1 T 3.408e+05 0.00e+00 a 0 0 0 0 327 4.175 3.204 1 T 8.066e+05 0.00e+00 a 0 0 0 0 328 4.118 3.112 1 T 2.848e+05 0.00e+00 a 0 0 0 0 329 3.992 2.954 1 T 2.071e+05 0.00e+00 a 0 0 0 0 330 4.157 2.977 1 T 3.575e+05 0.00e+00 a 0 0 0 0 331 4.149 2.917 1 T 3.191e+05 0.00e+00 a 0 0 0 0 332 4.467 2.949 1 T 1.104e+06 0.00e+00 a 0 0 0 0 333 4.543 2.972 1 T 2.910e+06 0.00e+00 a 0 0 0 0 334 4.545 3.127 1 T 3.992e+05 0.00e+00 a 0 0 0 0 335 4.583 3.200 1 T 4.482e+06 0.00e+00 a 0 0 0 0 336 3.211 1.283 1 T 5.094e+05 0.00e+00 a 0 0 0 0 337 2.908 1.622 1 T 1.433e+06 0.00e+00 a 0 0 0 0 338 2.912 1.387 1 T 3.699e+05 0.00e+00 a 0 0 0 0 339 2.910 1.325 1 T 4.007e+05 0.00e+00 a 0 0 0 0 340 2.977 1.367 1 T -7.684e+04 0.00e+00 a 0 0 0 0 341 2.973 1.668 1 T 1.005e+06 0.00e+00 a 0 0 0 0 342 2.974 1.789 1 T 1.847e+05 0.00e+00 a 0 0 0 0 343 2.919 1.773 1 T 3.391e+05 0.00e+00 a 0 0 0 0 344 2.917 1.714 1 T 3.416e+05 0.00e+00 a 0 0 0 0 345 2.259 1.279 1 T 4.812e+05 0.00e+00 a 0 0 0 0 346 2.506 1.345 1 T 2.485e+05 0.00e+00 a 0 0 0 0 347 2.575 1.345 1 T 2.356e+05 0.00e+00 a 0 0 0 0 348 2.345 1.181 1 T 2.245e+05 0.00e+00 a 0 0 0 0 349 3.995 1.106 1 T 5.116e+05 0.00e+00 a 0 0 0 0 350 3.993 1.420 1 T 3.951e+05 0.00e+00 a 0 0 0 0 351 3.777 0.838 1 T 2.286e+05 0.00e+00 a 0 0 0 0 352 3.864 0.843 1 T 4.367e+05 0.00e+00 a 0 0 0 0 353 4.578 1.282 1 T 3.207e+05 0.00e+00 a 0 0 0 0 354 4.493 1.342 1 T 2.367e+05 0.00e+00 a 0 0 0 0 355 4.387 1.514 1 T 3.992e+05 0.00e+00 a 0 0 0 0 356 4.384 1.598 1 T 2.438e+05 0.00e+00 a 0 0 0 0 357 4.542 1.597 1 T 2.423e+05 0.00e+00 a 0 0 0 0 358 4.544 1.509 1 T 2.605e+05 0.00e+00 a 0 0 0 0 359 4.529 1.182 1 T 2.242e+05 0.00e+00 a 0 0 0 0 360 4.620 2.248 1 T 2.503e+05 0.00e+00 a 0 0 0 0 361 4.551 2.259 1 T 4.896e+05 0.00e+00 a 0 0 0 0 362 4.627 1.924 1 T 3.106e+05 0.00e+00 a 0 0 0 0 363 4.544 1.908 1 T 2.698e+05 0.00e+00 a 0 0 0 0 364 4.544 1.844 1 T 2.301e+05 0.00e+00 a 0 0 0 0 366 0.909 10.136 1 T 3.120e+05 0.00e+00 a 0 0 0 0 367 1.773 7.289 1 T 2.814e+05 0.00e+00 a 0 0 0 0 368 1.838 7.289 1 T 2.999e+05 0.00e+00 a 0 0 0 0 369 0.849 6.863 1 T 1.610e+05 0.00e+00 a 0 0 0 0 370 2.982 4.533 1 T 8.087e+05 0.00e+00 a 0 0 0 0 371 2.947 4.460 1 T 4.390e+05 0.00e+00 a 0 0 0 0 372 2.849 4.463 1 T 4.217e+05 0.00e+00 a 0 0 0 0 373 3.123 4.521 1 T 2.925e+05 0.00e+00 a 0 0 0 0 374 3.206 4.569 1 T 4.133e+05 0.00e+00 a 0 0 0 0 375 3.200 4.181 1 T 2.230e+05 0.00e+00 a 0 0 0 0 376 3.207 4.144 1 T 2.633e+05 0.00e+00 a 0 0 0 0 377 3.113 4.105 1 T 3.113e+05 0.00e+00 a 0 0 0 0 378 2.986 4.105 1 T 2.755e+05 0.00e+00 a 0 0 0 0 379 2.960 3.991 1 T 3.109e+05 0.00e+00 a 0 0 0 0 380 3.785 4.393 1 T 1.033e+06 0.00e+00 a 0 0 0 0 381 3.873 4.394 1 T 9.147e+05 0.00e+00 a 0 0 0 0 382 3.548 3.631 1 T 9.011e+05 0.00e+00 a 0 0 0 0 383 1.923 2.969 1 T 3.111e+05 0.00e+00 a 0 0 0 0 384 2.066 2.969 1 T 2.437e+05 0.00e+00 a 0 0 0 0 385 2.261 2.943 1 T 2.462e+05 0.00e+00 a 0 0 0 0 387 1.286 3.202 1 T 6.206e+05 0.00e+00 a 0 0 0 0 389 0.843 3.202 1 T 5.170e+05 0.00e+00 a 0 0 0 0 390 0.914 3.205 1 T 2.757e+05 0.00e+00 a 0 0 0 0 391 0.920 3.112 1 T 2.942e+05 0.00e+00 a 0 0 0 0 392 0.908 2.976 1 T 3.459e+05 0.00e+00 a 0 0 0 0 393 0.868 2.973 1 T 3.467e+05 0.00e+00 a 0 0 0 0 394 0.915 3.782 1 T 4.234e+05 0.00e+00 a 0 0 0 0 395 0.914 3.867 1 T 4.544e+05 0.00e+00 a 0 0 0 0 396 0.859 3.991 1 T 4.822e+06 0.00e+00 a 0 0 0 0 397 1.113 3.992 1 T 1.109e+06 0.00e+00 a 0 0 0 0 398 1.426 3.995 1 T 9.238e+05 0.00e+00 a 0 0 0 0 399 1.745 3.986 1 T 7.522e+05 0.00e+00 a 0 0 0 0 400 2.058 3.992 1 T 3.677e+05 0.00e+00 a 0 0 0 0 401 2.248 3.992 1 T 5.692e+05 0.00e+00 a 0 0 0 0 402 1.945 3.990 1 T 1.547e+06 0.00e+00 a 0 0 0 0 403 0.929 4.107 1 T 3.980e+06 0.00e+00 a 0 0 0 0 404 0.846 4.153 1 T 7.423e+05 0.00e+00 a 0 0 0 0 405 0.846 4.180 1 T 5.566e+05 0.00e+00 a 0 0 0 0 406 0.919 4.154 1 T 6.056e+05 0.00e+00 a 0 0 0 0 407 1.515 4.158 1 T 2.618e+05 0.00e+00 a 0 0 0 0 408 0.843 2.253 1 T 8.619e+05 0.00e+00 a 0 0 0 0 409 1.287 2.264 1 T 3.968e+05 0.00e+00 a 0 0 0 0 410 1.112 1.746 1 T 8.405e+05 0.00e+00 a 0 0 0 0 411 0.843 1.742 1 T 1.825e+06 0.00e+00 a 0 0 0 0 412 1.113 1.421 1 T 2.976e+06 0.00e+00 a 0 0 0 0 413 0.842 1.279 1 T 1.164e+06 0.00e+00 a 0 0 0 0 414 0.913 1.282 1 T 4.643e+05 0.00e+00 a 0 0 0 0 415 0.913 1.346 1 T 6.309e+05 0.00e+00 a 0 0 0 0 416 0.842 1.428 1 T 2.760e+06 0.00e+00 a 0 0 0 0 417 0.846 1.507 1 T 2.742e+06 0.00e+00 a 0 0 0 0 418 0.904 1.510 1 T 3.664e+06 0.00e+00 a 0 0 0 0 419 0.840 1.586 1 T 1.088e+06 0.00e+00 a 0 0 0 0 420 0.909 1.588 1 T 1.122e+06 0.00e+00 a 0 0 0 0 421 0.839 1.110 1 T 4.374e+06 0.00e+00 a 0 0 0 0 422 7.208 7.447 1 T 3.158e+06 0.00e+00 a 0 197 196 0 423 7.131 7.529 1 T 3.643e+06 0.00e+00 a 0 194 190 0 437 3.786 8.128 1 T 1.826e+05 0.00e+00 a 0 0 0 0 438 3.871 8.129 1 T 2.179e+05 0.00e+00 a 0 0 0 0 439 3.991 8.281 1 T 1.786e+05 0.00e+00 a 0 0 0 0 440 3.993 7.806 1 T 1.799e+05 0.00e+00 a 0 0 0 0 447 7.965 8.192 1 T 1.938e+05 0.00e+00 a 0 0 0 0 449 4.380 7.209 1 T 1.535e+05 0.00e+00 a 0 0 0 0 450 4.315 6.785 1 T 1.372e+05 0.00e+00 a 0 0 0 0 457 3.872 8.194 1 T 8.027e+04 0.00e+00 a 0 0 0 0 458 3.783 8.194 1 T 8.709e+04 0.00e+00 a 0 0 0 0 459 3.785 7.963 1 T 1.199e+05 0.00e+00 a 0 0 0 0 460 3.870 7.963 1 T 9.056e+04 0.00e+00 a 0 0 0 0 476 0.911 7.849 1 T 1.663e+05 0.00e+00 a 0 0 0 0 477 0.909 7.806 1 T 1.373e+05 0.00e+00 a 0 0 0 0 488 1.320 2.905 1 T 4.185e+05 0.00e+00 a 0 0 0 0 489 1.401 2.910 1 T 5.802e+05 0.00e+00 a 0 0 0 0 491 0.841 2.854 1 T 2.104e+05 0.00e+00 a 0 0 0 0 492 0.846 2.902 1 T 1.371e+05 0.00e+00 a 0 0 0 0 493 0.915 2.902 1 T 1.029e+05 0.00e+00 a 0 0 0 0 494 0.843 2.937 1 T 2.696e+05 0.00e+00 a 0 0 0 0 496 3.203 7.805 1 T 1.507e+06 0.00e+00 a 0 0 0 0 498 0.840 10.137 1 T 6.090e+05 0.00e+00 a 0 0 0 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 2 . . H 1 H 2 aliased 11.98 ppm . . . 4.69 . . 30281 1 stop_ save_