######################### # 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 30274 _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 314 8.807 4.811 1 T -2.015e+03 0.00e+00 a 0 178 180 0 315 8.807 3.315 1 T 2.014e+03 0.00e+00 a 0 178 182 0 316 8.804 2.994 1 T 1.157e+04 0.00e+00 a 0 178 183 0 317 8.307 5.288 1 T 5.963e+03 0.00e+00 a 0 167 169 0 318 8.310 2.742 1 T 5.433e+03 0.00e+00 a 0 167 172 0 319 8.309 2.799 1 T 1.279e+04 0.00e+00 a 0 167 171 0 320 3.308 3.746 1 T 6.889e+02 0.00e+00 a 0 125 116 0 321 3.124 3.747 1 T 4.182e+03 0.00e+00 a 0 126 116 0 322 3.216 4.059 1 T -1.504e+03 0.00e+00 a 0 141 132 0 323 3.166 4.059 1 T 6.695e+02 0.00e+00 a 0 142 132 0 324 7.661 4.011 1 T 4.681e+03 0.00e+00 a 0 146 148 0 325 7.662 1.636 1 T 5.918e+03 0.00e+00 a 0 146 150 0 326 7.662 1.274 1 T 4.014e+03 0.00e+00 a 0 146 157 0 327 7.662 0.897 1 T 1.587e+03 0.00e+00 a 0 146 158 0 328 7.660 0.628 1 T 3.115e+03 0.00e+00 a 0 146 151 0 329 7.661 0.460 1 T 1.318e+03 0.00e+00 a 0 146 0 0 330 7.734 4.437 1 T -5.139e+03 0.00e+00 a 0 217 219 0 331 7.732 3.027 1 T 2.797e+02 0.00e+00 a 0 217 221 0 332 7.731 2.637 1 T -7.688e+02 0.00e+00 a 0 217 222 0 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2.752e+04 0.00e+00 a 0 0 0 0 391 8.807 5.695 1 T 3.369e+03 0.00e+00 a 0 0 0 0 393 4.013 8.309 1 T 2.174e+04 0.00e+00 a 0 0 0 0 394 4.052 8.226 1 T 5.357e+03 0.00e+00 a 0 0 0 0 396 4.226 8.104 1 T 1.293e+04 0.00e+00 a 0 0 0 0 397 4.061 7.660 1 T 8.024e+03 0.00e+00 a 0 0 0 0 398 4.338 8.478 1 T 9.966e+03 0.00e+00 a 0 0 0 0 400 4.380 8.549 1 T 3.010e+03 0.00e+00 a 0 0 0 0 401 4.440 7.732 1 T 2.642e+03 0.00e+00 a 0 0 0 0 402 4.440 8.341 1 T 6.455e+03 0.00e+00 a 0 0 0 0 403 4.329 7.732 1 T 6.204e+03 0.00e+00 a 0 0 0 0 404 4.624 8.104 1 T 1.046e+04 0.00e+00 a 0 0 0 0 405 4.624 7.629 1 T -6.856e+02 0.00e+00 a 0 0 0 0 406 2.640 7.731 1 T 8.493e+03 0.00e+00 a 0 0 0 0 407 2.743 8.307 1 T 2.898e+03 0.00e+00 a 0 0 0 0 408 5.293 8.307 1 T 9.090e+03 0.00e+00 a 0 0 0 0 409 7.427 10.059 1 T 9.614e+03 0.00e+00 a 0 0 0 0 411 7.123 10.072 1 T 5.265e+03 0.00e+00 a 0 0 0 0 413 3.064 7.630 1 T 2.244e+03 0.00e+00 a 0 0 0 0 414 1.516 7.770 1 T 7.146e+03 0.00e+00 a 0 0 0 0 415 1.935 7.770 1 T 1.152e+04 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437 2.993 7.729 1 T 6.930e+03 0.00e+00 a 0 0 0 0 438 2.994 7.198 1 T 2.131e+04 0.00e+00 a 0 0 0 0 439 3.308 7.198 1 T 1.443e+04 0.00e+00 a 0 0 0 0 440 3.310 7.730 1 T 2.777e+03 0.00e+00 a 0 0 0 0 441 1.337 7.197 1 T 1.196e+04 0.00e+00 a 0 0 0 0 442 0.467 7.197 1 T 7.062e+03 0.00e+00 a 0 0 0 0 443 0.457 8.307 1 T 2.145e+03 0.00e+00 a 0 0 0 0 444 1.642 7.661 1 T 1.542e+03 0.00e+00 a 0 0 0 0 445 1.266 7.663 1 T 1.188e+03 0.00e+00 a 0 0 0 0 446 3.971 7.732 1 T 4.230e+03 0.00e+00 a 0 0 0 0 447 2.806 8.989 1 T 4.017e+03 0.00e+00 a 0 0 0 0 448 1.337 8.990 1 T 8.431e+03 0.00e+00 a 0 0 0 0 449 4.226 8.019 1 T 7.783e+03 0.00e+00 a 0 0 0 0 450 4.380 8.199 1 T 1.894e+04 0.00e+00 a 0 0 0 0 451 5.288 5.699 1 T 3.358e+04 0.00e+00 a 0 0 0 0 452 4.338 7.412 1 T 5.221e+03 0.00e+00 a 0 0 0 0 453 4.435 8.201 1 T 1.212e+04 0.00e+00 a 0 0 0 0 454 3.211 7.626 1 T 1.892e+02 0.00e+00 a 0 0 0 0 455 1.800 8.479 1 T 1.786e+03 0.00e+00 a 0 0 0 0 456 5.301 8.997 1 T 4.932e+03 0.00e+00 a 0 0 0 0 457 7.196 8.805 1 T 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498 3.145 1.549 1 T 8.098e+03 0.00e+00 a 0 0 0 0 499 3.101 1.523 1 T 2.751e+04 0.00e+00 a 0 0 0 0 500 3.209 1.669 1 T 1.563e+02 0.00e+00 a 0 0 0 0 501 3.121 1.362 1 T 6.655e+03 0.00e+00 a 0 0 0 0 502 3.314 1.357 1 T -8.336e+03 0.00e+00 a 0 0 0 0 503 2.808 1.662 1 T 4.894e+03 0.00e+00 a 0 0 0 0 504 2.381 1.915 1 T 2.590e+04 0.00e+00 a 0 0 0 0 507 2.208 1.653 1 T 6.619e+04 0.00e+00 a 0 0 0 0 508 1.930 1.519 1 T 9.434e+03 0.00e+00 a 0 0 0 0 509 1.904 1.662 1 T 3.346e+04 0.00e+00 a 0 0 0 0 510 1.782 1.528 1 T 6.555e+04 0.00e+00 a 0 0 0 0 511 1.648 1.277 1 T 1.006e+04 0.00e+00 a 0 0 0 0 512 1.564 1.372 1 T 1.574e+05 0.00e+00 a 0 0 0 0 516 0.899 1.274 1 T 2.995e+04 0.00e+00 a 0 0 0 0 517 0.636 1.275 1 T 2.518e+04 0.00e+00 a 0 0 0 0 518 1.276 1.646 1 T 5.001e+03 0.00e+00 a 0 0 0 0 519 1.365 1.552 1 T 1.016e+05 0.00e+00 a 0 0 0 0 520 1.527 1.763 1 T 3.628e+04 0.00e+00 a 0 0 0 0 521 1.686 1.875 1 T 3.410e+04 0.00e+00 a 0 0 0 0 522 1.676 2.217 1 T 3.257e+04 0.00e+00 a 0 0 0 0 523 1.519 1.931 1 T 6.376e+03 0.00e+00 a 0 0 0 0 524 0.463 1.268 1 T 2.928e+03 0.00e+00 a 0 0 0 0 525 0.633 1.285 1 T 3.573e+04 0.00e+00 a 0 0 0 0 526 0.631 0.880 1 T 7.599e+04 0.00e+00 a 0 0 0 0 527 0.455 0.899 1 T 3.118e+03 0.00e+00 a 0 0 0 0 528 0.474 4.007 1 T 4.733e+03 0.00e+00 a 0 0 0 0 529 0.905 4.004 1 T -2.886e+02 0.00e+00 a 0 0 0 0 530 1.271 4.013 1 T 2.879e+03 0.00e+00 a 0 0 0 0 531 1.262 4.223 1 T 1.815e+04 0.00e+00 a 0 0 0 0 532 1.329 4.431 1 T 6.325e+03 0.00e+00 a 0 0 0 0 533 2.639 3.029 1 T -5.888e+04 0.00e+00 a 0 0 0 0 534 3.000 3.301 1 T 6.743e+04 0.00e+00 a 0 0 0 0 535 3.110 3.298 1 T 1.820e+05 0.00e+00 a 0 0 0 0 536 3.192 3.738 1 T 2.186e+04 0.00e+00 a 0 0 0 0 537 3.311 3.952 1 T 9.199e+03 0.00e+00 a 0 0 0 0 538 3.308 3.979 1 T 1.348e+04 0.00e+00 a 0 0 0 0 539 3.656 4.306 1 T 7.152e+04 0.00e+00 a 0 0 0 0 540 3.757 4.059 1 T 1.211e+04 0.00e+00 a 0 0 0 0 541 3.620 3.781 1 T 1.248e+04 0.00e+00 a 0 0 0 0 544 2.731 5.286 1 T 6.379e+03 0.00e+00 a 0 0 0 0 545 2.816 5.298 1 T 5.496e+03 0.00e+00 a 0 0 0 0 546 5.695 3.004 1 T 3.892e+03 0.00e+00 a 0 0 0 0 547 5.312 2.908 1 T 4.699e+03 0.00e+00 a 0 0 0 0 548 5.296 2.735 1 T 1.776e+03 0.00e+00 a 0 0 0 0 549 4.992 2.820 1 T 6.565e+03 0.00e+00 a 0 0 0 0 550 4.809 2.996 1 T -1.512e+03 0.00e+00 a 0 0 0 0 551 4.809 3.316 1 T 3.181e+03 0.00e+00 a 0 0 0 0 553 4.435 2.640 1 T -2.870e+03 0.00e+00 a 0 0 0 0 554 4.327 2.379 1 T 1.269e+04 0.00e+00 a 0 0 0 0 555 4.068 2.207 1 T 7.138e+03 0.00e+00 a 0 0 0 0 556 3.980 2.108 1 T 1.321e+04 0.00e+00 a 0 0 0 0 557 3.975 2.013 1 T 7.802e+03 0.00e+00 a 0 0 0 0 558 4.338 2.266 1 T -2.910e+02 0.00e+00 a 0 0 0 0 559 4.338 2.122 1 T 9.284e+03 0.00e+00 a 0 0 0 0 560 4.329 1.908 1 T 9.995e+03 0.00e+00 a 0 0 0 0 561 2.119 3.956 1 T 9.575e+03 0.00e+00 a 0 0 0 0 562 3.059 8.016 1 T 4.155e+03 0.00e+00 a 0 0 0 0 563 3.108 7.543 1 T 1.067e+04 0.00e+00 a 0 0 0 0 564 2.997 7.772 1 T 4.686e+03 0.00e+00 a 0 0 0 0 565 2.790 8.311 1 T 2.152e+03 0.00e+00 a 0 0 0 0 566 1.895 8.201 1 T 9.173e+03 0.00e+00 a 0 0 0 0 567 1.791 7.775 1 T 7.960e+03 0.00e+00 a 0 0 0 0 568 1.932 7.729 1 T 3.305e+03 0.00e+00 a 0 0 0 0 569 1.260 7.405 1 T 5.239e+03 0.00e+00 a 0 0 0 0 570 4.224 7.413 1 T 5.511e+03 0.00e+00 a 0 0 0 0 571 4.329 8.339 1 T 5.000e+03 0.00e+00 a 0 0 0 0 572 4.319 8.202 1 T 1.011e+04 0.00e+00 a 0 0 0 0 573 4.803 8.807 1 T 1.771e+03 0.00e+00 a 0 0 0 0 574 4.791 8.484 1 T 5.052e+03 0.00e+00 a 0 0 0 0 575 3.311 8.801 1 T 5.696e+03 0.00e+00 a 0 0 0 0 576 2.912 8.552 1 T 7.805e+02 0.00e+00 a 0 0 0 0 577 2.801 8.485 1 T 6.368e+03 0.00e+00 a 0 0 0 0 578 1.739 8.038 1 T 4.633e+03 0.00e+00 a 0 0 0 0 579 1.928 7.196 1 T 5.369e+03 0.00e+00 a 0 0 0 0 580 1.359 7.126 1 T 5.548e+03 0.00e+00 a 0 0 0 0 581 3.076 7.124 1 T 2.182e+04 0.00e+00 a 0 0 0 0 582 4.336 1.518 1 T 7.133e+03 0.00e+00 a 0 0 0 0 583 4.056 1.664 1 T 7.102e+03 0.00e+00 a 0 0 0 0 584 3.979 1.930 1 T 6.036e+03 0.00e+00 a 0 0 0 0 585 4.011 0.458 1 T 6.701e+03 0.00e+00 a 0 0 0 0 587 1.673 2.804 1 T -3.978e+02 0.00e+00 a 0 0 0 0 588 5.695 2.807 1 T -4.847e+03 0.00e+00 a 0 0 0 0 589 5.287 2.807 1 T 7.079e+03 0.00e+00 a 0 0 0 0 590 0.464 1.623 1 T 1.854e+04 0.00e+00 a 0 0 0 0 591 0.899 1.622 1 T 3.160e+03 0.00e+00 a 0 0 0 0 592 0.896 1.246 1 T 1.371e+04 0.00e+00 a 0 0 0 0 593 1.932 2.391 1 T 4.150e+04 0.00e+00 a 0 0 0 0 594 2.127 2.264 1 T 2.159e+05 0.00e+00 a 0 0 0 0 595 2.068 2.229 1 T 3.074e+04 0.00e+00 a 0 0 0 0 596 4.335 1.798 1 T 4.194e+03 0.00e+00 a 0 0 0 0 597 4.386 1.336 1 T 8.249e+03 0.00e+00 a 0 0 0 0 598 4.438 1.336 1 T 4.000e+04 0.00e+00 a 0 0 0 0 599 4.226 1.265 1 T 5.611e+04 0.00e+00 a 0 0 0 0 600 4.317 1.237 1 T 7.358e+03 0.00e+00 a 0 0 0 0 601 4.010 0.636 1 T 1.181e+03 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 . . . 4.79 . . 30274 1 stop_ save_