######################### # 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 34088 _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 2 _Spectral_peak_list.Experiment_name '3D (H)NHH RFDR 2ms' _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 # INAME 1 H # INAME 2 HN # INAME 3 N 300 8.474 127.930 9.752 1 T 5.248e+07 0.00e+00 a 0 0 0 0 0 301 8.501 121.243 9.586 1 T 8.066e+07 0.00e+00 a 0 0 0 0 0 302 6.146 128.428 8.304 1 T 4.187e+07 0.00e+00 a 0 0 0 0 0 308 8.303 109.089 7.089 1 T 3.561e+07 0.00e+00 a 0 0 0 0 0 309 8.260 115.205 7.087 1 T 5.972e+07 0.00e+00 a 0 0 0 0 0 310 9.196 111.746 9.478 1 T 4.909e+07 0.00e+00 a 0 0 0 0 0 311 9.210 116.855 10.073 1 T 6.124e+07 0.00e+00 a 0 0 0 0 0 313 10.305 119.463 9.079 1 T 3.159e+07 0.00e+00 a 0 0 0 0 0 317 9.706 132.773 8.921 1 T 2.923e+07 0.00e+00 a 0 0 0 0 0 318 10.084 130.938 9.229 1 T 3.949e+07 0.00e+00 a 0 0 0 0 0 320 10.034 130.861 9.143 1 T 3.435e+07 0.00e+00 a 0 0 0 0 0 325 9.407 130.020 9.682 1 T 3.563e+07 0.00e+00 a 0 0 0 0 0 333 9.636 128.881 9.771 1 T 1.075e+08 0.00e+00 a 0 0 0 0 0 338 9.077 127.951 10.296 1 T 3.426e+07 0.00e+00 a 0 0 0 0 0 343 9.601 127.055 8.510 1 T 6.794e+07 0.00e+00 a 0 0 0 0 0 347 9.611 126.783 8.718 1 T 2.751e+07 0.00e+00 a 0 0 0 0 0 350 10.139 126.653 9.414 1 T 4.487e+07 0.00e+00 a 0 0 0 0 0 351 9.785 126.609 9.170 1 T 4.890e+07 0.00e+00 a 0 0 0 0 0 356 7.514 126.440 9.038 1 T 7.268e+07 0.00e+00 a 0 0 0 0 0 357 8.606 126.262 9.518 1 T 3.488e+07 0.00e+00 a 0 0 0 0 0 359 7.496 125.884 8.769 1 T 2.969e+07 0.00e+00 a 0 0 0 0 0 362 9.108 125.522 8.759 1 T 2.869e+07 0.00e+00 a 0 0 0 0 0 363 9.072 125.495 8.555 1 T 4.844e+07 0.00e+00 a 0 0 0 0 0 364 8.971 125.052 9.264 1 T 8.720e+07 0.00e+00 a 0 0 0 0 0 366 9.807 124.969 9.202 1 T 8.608e+07 0.00e+00 a 0 0 0 0 0 368 8.700 124.905 9.687 1 T 2.886e+07 0.00e+00 a 0 0 0 0 0 369 8.638 124.867 9.046 1 T 5.641e+07 0.00e+00 a 0 0 0 0 0 372 8.324 124.956 7.927 1 T 5.661e+07 0.00e+00 a 0 0 0 0 0 376 9.170 124.370 9.425 1 T 4.763e+07 0.00e+00 a 0 0 0 0 0 381 8.720 124.064 9.561 1 T 5.643e+07 0.00e+00 a 0 0 0 0 0 383 7.665 123.927 8.517 1 T 5.465e+07 0.00e+00 a 0 0 0 0 0 384 9.416 123.722 8.807 1 T 3.130e+07 0.00e+00 a 0 0 0 0 0 386 5.402 123.711 6.918 1 T 2.806e+07 0.00e+00 a 0 0 0 0 0 388 9.342 123.618 8.729 1 T 3.710e+07 0.00e+00 a 0 0 0 0 0 391 8.581 123.564 9.250 1 T 4.662e+07 0.00e+00 a 0 0 0 0 0 395 8.665 123.411 9.080 1 T 3.562e+07 0.00e+00 a 0 0 0 0 0 396 9.233 123.334 9.747 1 T 7.539e+07 0.00e+00 a 0 0 0 0 0 397 8.997 123.199 7.083 1 T 4.294e+07 0.00e+00 a 0 0 0 0 0 398 9.680 122.965 9.251 1 T 4.295e+07 0.00e+00 a 0 0 0 0 0 400 9.593 122.918 8.604 1 T 4.247e+07 0.00e+00 a 0 0 0 0 0 402 8.560 122.776 8.162 1 T 3.034e+07 0.00e+00 a 0 0 0 0 0 405 8.993 122.541 9.722 1 T 7.367e+07 0.00e+00 a 0 0 0 0 0 409 9.793 122.400 8.470 1 T 2.783e+07 0.00e+00 a 0 0 0 0 0 413 8.970 122.348 8.546 1 T 7.989e+07 0.00e+00 a 0 0 0 0 0 415 9.047 122.118 7.525 1 T 6.245e+07 0.00e+00 a 0 0 0 0 0 416 8.556 122.131 9.065 1 T 3.895e+07 0.00e+00 a 0 0 0 0 0 418 10.141 121.988 8.241 1 T 3.229e+07 0.00e+00 a 0 0 0 0 0 421 9.724 122.057 8.971 1 T 6.933e+07 0.00e+00 a 0 0 0 0 0 423 9.387 121.786 8.774 1 T 3.723e+07 0.00e+00 a 0 0 0 0 0 425 9.188 121.536 9.801 1 T 9.129e+07 0.00e+00 a 0 0 0 0 0 437 9.494 120.641 8.709 1 T 5.356e+07 0.00e+00 a 0 0 0 0 0 440 9.258 120.576 8.968 1 T 7.539e+07 0.00e+00 a 0 0 0 0 0 444 9.183 120.101 9.777 1 T 8.437e+07 0.00e+00 a 0 0 0 0 0 445 8.124 120.122 8.588 1 T 3.358e+07 0.00e+00 a 0 0 0 0 0 446 9.383 119.929 9.597 1 T 1.045e+08 0.00e+00 a 0 0 0 0 0 451 8.943 119.571 9.691 1 T 3.406e+07 0.00e+00 a 0 0 0 0 0 454 9.363 119.361 8.987 1 T 2.734e+07 0.00e+00 a 0 0 0 0 0 456 8.024 119.403 8.940 1 T 5.500e+07 0.00e+00 a 0 0 0 0 0 458 9.444 119.199 9.181 1 T 4.247e+07 0.00e+00 a 0 0 0 0 0 459 9.341 119.263 8.881 1 T 3.340e+07 0.00e+00 a 0 0 0 0 0 461 8.186 118.560 8.975 1 T 7.341e+07 0.00e+00 a 0 0 0 0 0 462 8.193 118.650 8.720 1 T 3.122e+07 0.00e+00 a 0 0 0 0 0 464 9.253 118.529 9.683 1 T 5.705e+07 0.00e+00 a 0 0 0 0 0 468 8.975 118.408 8.283 1 T 3.876e+07 0.00e+00 a 0 0 0 0 0 470 8.579 118.448 9.089 1 T 5.132e+07 0.00e+00 a 0 0 0 0 0 472 8.564 118.329 9.693 1 T 2.677e+07 0.00e+00 a 0 0 0 0 0 473 8.546 118.362 8.973 1 T 7.647e+07 0.00e+00 a 0 0 0 0 0 475 8.528 118.212 7.669 1 T 7.002e+07 0.00e+00 a 0 0 0 0 0 477 9.217 117.935 8.553 1 T 4.744e+07 0.00e+00 a 0 0 0 0 0 481 9.701 117.611 9.497 1 T 2.912e+07 0.00e+00 a 0 0 0 0 0 484 8.967 117.072 8.057 1 T 4.918e+07 0.00e+00 a 0 0 0 0 0 486 7.913 117.032 8.316 1 T 5.866e+07 0.00e+00 a 0 0 0 0 0 488 9.132 116.838 8.217 1 T 2.938e+07 0.00e+00 a 0 0 0 0 0 489 8.730 116.733 9.386 1 T 2.771e+07 0.00e+00 a 0 0 0 0 0 491 8.393 116.652 9.041 1 T 2.975e+07 0.00e+00 a 0 0 0 0 0 493 8.527 116.537 7.785 1 T 3.348e+07 0.00e+00 a 0 0 0 0 0 494 8.728 116.480 8.857 1 T 1.051e+08 0.00e+00 a 0 0 0 0 0 496 7.599 116.208 8.993 1 T 3.804e+07 0.00e+00 a 0 0 0 0 0 497 9.045 116.081 8.400 1 T 3.004e+07 0.00e+00 a 0 0 0 0 0 498 8.917 116.179 8.527 1 T 4.188e+07 0.00e+00 a 0 0 0 0 0 502 7.598 116.183 8.662 1 T 3.138e+07 0.00e+00 a 0 0 0 0 0 503 7.594 116.198 8.352 1 T 3.599e+07 0.00e+00 a 0 0 0 0 0 505 9.008 116.024 8.433 1 T 2.983e+07 0.00e+00 a 0 0 0 0 0 509 8.305 115.470 8.698 1 T 2.915e+07 0.00e+00 a 0 0 0 0 0 519 8.977 114.253 8.197 1 T 4.411e+07 0.00e+00 a 0 0 0 0 0 520 8.823 113.938 7.075 1 T 3.440e+07 0.00e+00 a 0 0 0 0 0 527 8.708 113.653 9.507 1 T 3.954e+07 0.00e+00 a 0 0 0 0 0 532 9.592 113.556 9.386 1 T 8.876e+07 0.00e+00 a 0 0 0 0 0 538 9.318 112.797 9.067 1 T 4.076e+07 0.00e+00 a 0 0 0 0 0 539 8.430 112.171 9.030 1 T 2.604e+07 0.00e+00 a 0 0 0 0 0 542 8.690 111.902 8.523 1 T 5.653e+07 0.00e+00 a 0 0 0 0 0 547 8.697 111.613 8.453 1 T 5.459e+07 0.00e+00 a 0 0 0 0 0 548 9.054 111.437 8.643 1 T 3.137e+07 0.00e+00 a 0 0 0 0 0 551 8.704 111.484 8.434 1 T 5.409e+07 0.00e+00 a 0 0 0 0 0 557 8.295 110.450 8.961 1 T 2.694e+07 0.00e+00 a 0 0 0 0 0 559 8.697 109.976 8.276 1 T 3.413e+07 0.00e+00 a 0 0 0 0 0 560 8.680 109.980 7.615 1 T 3.792e+07 0.00e+00 a 0 0 0 0 0 565 8.712 109.232 8.548 1 T 3.090e+07 0.00e+00 a 0 0 0 0 0 567 9.420 109.110 9.166 1 T 4.154e+07 0.00e+00 a 0 0 0 0 0 570 8.962 105.052 9.253 1 T 2.628e+07 0.00e+00 a 0 0 0 0 0 576 7.078 104.165 8.222 1 T 3.336e+07 0.00e+00 a 0 0 0 0 0 582 10.106 121.283 8.625 1 T 2.117e+07 0.00e+00 a 0 0 0 0 0 583 10.065 121.317 8.141 1 T 2.329e+07 0.00e+00 a 0 0 0 0 0 585 9.696 124.620 9.243 1 T 6.149e+07 0.00e+00 a 0 0 0 0 0 586 9.448 109.100 9.663 1 T 1.819e+07 0.00e+00 a 0 0 0 0 0 587 6.231 128.590 7.459 1 T 2.059e+07 0.00e+00 a 0 0 0 0 0 588 7.084 120.330 8.302 1 T 2.338e+07 0.00e+00 a 0 0 0 0 0 592 8.218 111.244 8.500 1 T 1.834e+07 0.00e+00 a 0 0 0 0 0 593 6.823 112.885 5.350 1 T 2.481e+07 0.00e+00 a 0 0 0 0 0 594 8.744 113.952 9.003 1 T 4.172e+07 0.00e+00 a 0 0 0 0 0 595 8.526 116.597 8.893 1 T 5.911e+07 0.00e+00 a 0 0 0 0 0 598 7.698 122.675 8.701 1 T 2.087e+07 0.00e+00 a 0 0 0 0 0 599 7.902 129.155 8.352 1 T 2.182e+07 0.00e+00 a 0 0 0 0 0 600 8.072 118.229 8.990 1 T 3.967e+07 0.00e+00 a 0 0 0 0 0 602 8.196 128.561 9.169 1 T 1.954e+07 0.00e+00 a 0 0 0 0 0 603 8.436 128.162 8.715 1 T 4.741e+07 0.00e+00 a 0 0 0 0 0 604 9.022 115.964 7.619 1 T 2.519e+07 0.00e+00 a 0 0 0 0 0 606 9.034 123.624 9.782 1 T 2.832e+07 0.00e+00 a 0 0 0 0 0 607 9.300 122.154 8.996 1 T 1.051e+08 0.00e+00 a 0 0 0 0 0 608 9.513 126.349 9.708 1 T 4.189e+07 0.00e+00 a 0 0 0 0 0 609 8.843 115.860 9.418 1 T 2.257e+07 0.00e+00 a 0 0 0 0 0 610 9.017 123.223 8.794 1 T 8.182e+07 0.00e+00 a 0 0 0 0 0 611 9.497 124.605 9.702 1 T 3.971e+07 0.00e+00 a 0 0 0 0 0 612 8.407 112.243 8.730 1 T 2.348e+07 0.00e+00 a 0 0 0 0 0 613 8.762 121.570 7.472 1 T 3.421e+07 0.00e+00 a 0 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 1 . . H 1 HN 2 folded 8 ppm . . . 8.8 . . 34088 1 2 . . N 15 N 1 folded 103.2 ppm . . . 74.9 . . 34088 1 3 . . H 1 HN . . 8 ppm . . . 8.8 . . 34088 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 34088 _Spectral_peak_list.ID 2 _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 '3D (H)N(HH)NH RFDR 2ms' _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 # INAME 1 H # INAME 2 N # INAME 3 n 314 8.972 124.982 120.584 1 T 1.530e+08 0.00e+00 a 0 0 0 0 0 315 9.384 119.849 113.536 1 T 1.932e+08 0.00e+00 a 0 0 0 0 0 316 6.825 112.969 123.720 1 T 6.557e+07 0.00e+00 a 0 0 0 0 0 317 8.784 113.916 123.200 1 T 7.761e+07 0.00e+00 a 0 0 0 0 0 318 9.597 113.520 119.874 1 T 1.726e+08 0.00e+00 a 0 0 0 0 0 319 8.720 113.517 120.491 1 T 5.545e+07 0.00e+00 a 0 0 0 0 0 320 9.299 112.809 118.483 1 T 1.019e+08 0.00e+00 a 0 0 0 0 0 322 5.339 123.775 112.972 1 T 7.090e+07 0.00e+00 a 0 0 0 0 0 324 8.929 119.571 132.782 1 T 5.516e+07 0.00e+00 a 0 0 0 0 0 326 9.219 116.789 130.896 1 T 8.508e+07 0.00e+00 a 0 0 0 0 0 330 9.687 121.472 130.118 1 T 7.836e+07 0.00e+00 a 0 0 0 0 0 334 8.311 124.893 129.116 1 T 4.785e+07 0.00e+00 a 0 0 0 0 0 336 9.773 121.972 128.852 1 T 1.618e+08 0.00e+00 a 0 0 0 0 0 340 8.307 118.525 128.428 1 T 7.337e+07 0.00e+00 a 0 0 0 0 0 342 8.721 111.932 128.064 1 T 6.712e+07 0.00e+00 a 0 0 0 0 0 346 9.735 122.448 127.760 1 T 5.297e+07 0.00e+00 a 0 0 0 0 0 347 9.074 122.156 127.826 1 T 4.368e+07 0.00e+00 a 0 0 0 0 0 348 10.323 119.419 127.792 1 T 4.745e+07 0.00e+00 a 0 0 0 0 0 352 9.362 123.566 126.932 1 T 5.174e+07 0.00e+00 a 0 0 0 0 0 353 8.489 121.151 126.949 1 T 1.108e+08 0.00e+00 a 0 0 0 0 0 359 9.164 120.000 126.536 1 T 7.607e+07 0.00e+00 a 0 0 0 0 0 360 9.035 122.092 126.392 1 T 1.288e+08 0.00e+00 a 0 0 0 0 0 361 9.709 121.845 126.295 1 T 9.112e+07 0.00e+00 a 0 0 0 0 0 364 9.561 122.895 126.206 1 T 5.940e+07 0.00e+00 a 0 0 0 0 0 366 8.763 121.397 125.847 1 T 5.759e+07 0.00e+00 a 0 0 0 0 0 368 8.189 118.518 125.802 1 T 4.349e+07 0.00e+00 a 0 0 0 0 0 370 8.566 122.066 125.535 1 T 1.077e+08 0.00e+00 a 0 0 0 0 0 371 8.825 118.157 125.654 1 T 4.432e+07 0.00e+00 a 0 0 0 0 0 379 9.184 121.502 124.966 1 T 1.588e+08 0.00e+00 a 0 0 0 0 0 380 9.259 120.528 124.954 1 T 1.465e+08 0.00e+00 a 0 0 0 0 0 383 9.375 119.824 124.898 1 T 4.647e+07 0.00e+00 a 0 0 0 0 0 384 8.852 117.878 124.856 1 T 4.478e+07 0.00e+00 a 0 0 0 0 0 385 7.938 116.898 124.888 1 T 1.221e+08 0.00e+00 a 0 0 0 0 0 386 9.077 111.366 124.848 1 T 6.368e+07 0.00e+00 a 0 0 0 0 0 388 9.246 123.231 124.606 1 T 1.238e+08 0.00e+00 a 0 0 0 0 0 389 9.719 117.664 124.566 1 T 5.405e+07 0.00e+00 a 0 0 0 0 0 390 9.437 109.073 124.375 1 T 7.331e+07 0.00e+00 a 0 0 0 0 0 396 9.588 126.789 123.817 1 T 5.437e+07 0.00e+00 a 0 0 0 0 0 398 9.108 120.364 123.869 1 T 1.061e+08 0.00e+00 a 0 0 0 0 0 399 8.508 118.141 123.867 1 T 1.280e+08 0.00e+00 a 0 0 0 0 0 406 9.138 117.760 123.546 1 T 5.587e+07 0.00e+00 a 0 0 0 0 0 407 9.046 125.525 123.471 1 T 4.320e+07 0.00e+00 a 0 0 0 0 0 408 9.738 124.563 123.258 1 T 1.450e+08 0.00e+00 a 0 0 0 0 0 411 9.248 118.428 123.103 1 T 8.896e+07 0.00e+00 a 0 0 0 0 0 412 8.784 118.369 123.071 1 T 7.810e+07 0.00e+00 a 0 0 0 0 0 416 8.614 126.134 122.832 1 T 7.724e+07 0.00e+00 a 0 0 0 0 0 420 8.156 120.622 122.720 1 T 4.388e+07 0.00e+00 a 0 0 0 0 0 421 8.064 118.128 122.715 1 T 5.389e+07 0.00e+00 a 0 0 0 0 0 423 8.438 127.810 122.362 1 T 8.160e+07 0.00e+00 a 0 0 0 0 0 424 8.559 118.349 122.358 1 T 1.281e+08 0.00e+00 a 0 0 0 0 0 425 8.948 104.732 122.342 1 T 5.852e+07 0.00e+00 a 0 0 0 0 0 428 9.013 119.783 122.177 1 T 8.968e+07 0.00e+00 a 0 0 0 0 0 429 7.529 126.354 122.075 1 T 1.016e+08 0.00e+00 a 0 0 0 0 0 430 9.054 125.463 122.128 1 T 1.260e+08 0.00e+00 a 0 0 0 0 0 432 9.264 120.530 122.158 1 T 4.068e+07 0.00e+00 a 0 0 0 0 0 433 8.668 116.501 122.030 1 T 4.928e+07 0.00e+00 a 0 0 0 0 0 434 9.616 128.805 121.968 1 T 1.644e+08 0.00e+00 a 0 0 0 0 0 435 8.251 124.677 121.929 1 T 5.300e+07 0.00e+00 a 0 0 0 0 0 440 9.534 126.261 121.847 1 T 9.105e+07 0.00e+00 a 0 0 0 0 0 441 8.259 125.717 121.847 1 T 4.824e+07 0.00e+00 a 0 0 0 0 0 443 8.767 116.886 121.780 1 T 5.890e+07 0.00e+00 a 0 0 0 0 0 444 9.306 130.291 121.602 1 T 4.646e+07 0.00e+00 a 0 0 0 0 0 447 7.518 125.742 121.573 1 T 5.104e+07 0.00e+00 a 0 0 0 0 0 448 9.805 124.903 121.492 1 T 1.425e+08 0.00e+00 a 0 0 0 0 0 450 9.577 127.012 121.183 1 T 1.164e+08 0.00e+00 a 0 0 0 0 0 463 9.226 123.903 120.438 1 T 8.578e+07 0.00e+00 a 0 0 0 0 0 471 9.787 126.575 120.017 1 T 1.127e+08 0.00e+00 a 0 0 0 0 0 474 9.609 128.803 119.852 1 T 4.079e+07 0.00e+00 a 0 0 0 0 0 477 9.805 124.848 119.787 1 T 3.881e+07 0.00e+00 a 0 0 0 0 0 479 9.696 132.730 119.603 1 T 6.734e+07 0.00e+00 a 0 0 0 0 0 480 9.170 122.251 119.652 1 T 8.741e+07 0.00e+00 a 0 0 0 0 0 482 9.127 127.783 119.405 1 T 5.579e+07 0.00e+00 a 0 0 0 0 0 487 9.180 111.671 119.207 1 T 8.290e+07 0.00e+00 a 0 0 0 0 0 491 8.971 114.173 118.612 1 T 9.173e+07 0.00e+00 a 0 0 0 0 0 493 6.182 128.428 118.486 1 T 7.476e+07 0.00e+00 a 0 0 0 0 0 494 7.424 126.888 118.454 1 T 4.215e+07 0.00e+00 a 0 0 0 0 0 496 9.696 122.971 118.456 1 T 9.365e+07 0.00e+00 a 0 0 0 0 0 498 8.952 122.303 118.373 1 T 9.003e+07 0.00e+00 a 0 0 0 0 0 503 8.687 116.346 118.263 1 T 9.489e+07 0.00e+00 a 0 0 0 0 0 504 8.305 115.454 118.276 1 T 5.264e+07 0.00e+00 a 0 0 0 0 0 505 7.656 123.866 118.151 1 T 8.621e+07 0.00e+00 a 0 0 0 0 0 506 8.144 122.720 118.173 1 T 4.153e+07 0.00e+00 a 0 0 0 0 0 508 8.999 117.034 118.196 1 T 3.865e+07 0.00e+00 a 0 0 0 0 0 509 8.544 123.492 117.847 1 T 1.122e+08 0.00e+00 a 0 0 0 0 0 511 9.479 124.543 117.731 1 T 7.397e+07 0.00e+00 a 0 0 0 0 0 515 8.324 124.902 116.940 1 T 1.447e+08 0.00e+00 a 0 0 0 0 0 518 10.073 130.830 116.839 1 T 1.097e+08 0.00e+00 a 0 0 0 0 0 520 9.353 121.931 116.675 1 T 5.754e+07 0.00e+00 a 0 0 0 0 0 522 8.424 112.077 116.640 1 T 8.414e+07 0.00e+00 a 0 0 0 0 0 523 10.099 126.490 116.554 1 T 4.429e+07 0.00e+00 a 0 0 0 0 0 525 8.861 118.255 116.410 1 T 1.157e+08 0.00e+00 a 0 0 0 0 0 529 8.668 109.924 116.181 1 T 8.255e+07 0.00e+00 a 0 0 0 0 0 542 7.084 104.211 115.147 1 T 9.678e+07 0.00e+00 a 0 0 0 0 0 551 9.068 123.586 113.979 1 T 4.299e+07 0.00e+00 a 0 0 0 0 0 553 8.198 118.574 114.036 1 T 9.547e+07 0.00e+00 a 0 0 0 0 0 554 8.976 123.090 113.892 1 T 6.640e+07 0.00e+00 a 0 0 0 0 0 563 9.055 118.462 112.824 1 T 9.024e+07 0.00e+00 a 0 0 0 0 0 565 8.366 116.543 112.092 1 T 7.432e+07 0.00e+00 a 0 0 0 0 0 568 8.474 128.166 111.834 1 T 4.602e+07 0.00e+00 a 0 0 0 0 0 574 9.478 119.125 111.705 1 T 8.181e+07 0.00e+00 a 0 0 0 0 0 577 9.741 124.588 111.382 1 T 5.364e+07 0.00e+00 a 0 0 0 0 0 578 8.007 119.307 111.404 1 T 5.625e+07 0.00e+00 a 0 0 0 0 0 579 8.339 116.696 111.342 1 T 5.025e+07 0.00e+00 a 0 0 0 0 0 582 8.680 124.599 111.306 1 T 4.565e+07 0.00e+00 a 0 0 0 0 0 583 9.261 123.336 111.315 1 T 4.953e+07 0.00e+00 a 0 0 0 0 0 584 8.425 112.037 111.265 1 T 3.989e+07 0.00e+00 a 0 0 0 0 0 589 7.623 116.120 109.966 1 T 9.158e+07 0.00e+00 a 0 0 0 0 0 590 8.993 115.926 109.975 1 T 4.185e+07 0.00e+00 a 0 0 0 0 0 592 8.251 108.991 109.925 1 T 4.575e+07 0.00e+00 a 0 0 0 0 0 602 9.169 124.346 109.102 1 T 7.635e+07 0.00e+00 a 0 0 0 0 0 607 8.670 109.867 108.899 1 T 4.713e+07 0.00e+00 a 0 0 0 0 0 610 9.283 122.344 105.169 1 T 4.297e+07 0.00e+00 a 0 0 0 0 0 613 8.253 115.147 104.188 1 T 8.675e+07 0.00e+00 a 0 0 0 0 0 616 8.301 109.020 116.222 1 T 4.068e+07 0.00e+00 a 0 0 0 0 0 617 9.434 110.348 120.056 1 T 3.970e+07 0.00e+00 a 0 0 0 0 0 618 8.717 111.356 116.531 1 T 3.751e+07 0.00e+00 a 0 0 0 0 0 619 8.722 111.300 123.275 1 T 3.687e+07 0.00e+00 a 0 0 0 0 0 620 8.892 115.671 116.659 1 T 5.955e+07 0.00e+00 a 0 0 0 0 0 621 8.557 116.673 115.821 1 T 6.239e+07 0.00e+00 a 0 0 0 0 0 623 9.483 120.376 113.617 1 T 5.622e+07 0.00e+00 a 0 0 0 0 0 624 9.414 120.027 110.640 1 T 3.830e+07 0.00e+00 a 0 0 0 0 0 625 9.398 119.780 121.913 1 T 3.827e+07 0.00e+00 a 0 0 0 0 0 626 8.972 124.982 122.107 1 T 5.563e+07 0.00e+00 a 0 0 0 0 0 628 8.603 126.368 111.292 1 T 4.022e+07 0.00e+00 a 0 0 0 0 0 629 8.875 127.101 123.533 1 T 3.475e+07 0.00e+00 a 0 0 0 0 0 631 9.121 123.709 119.344 1 T 4.078e+07 0.00e+00 a 0 0 0 0 0 632 8.511 128.228 121.194 1 T 3.918e+07 0.00e+00 a 0 0 0 0 0 633 9.607 128.804 124.955 1 T 3.931e+07 0.00e+00 a 0 0 0 0 0 636 8.968 123.053 118.294 1 T 7.716e+07 0.00e+00 a 0 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 1 . . H 1 HN 2 . 8 ppm . . . 8.8 . . 34088 2 2 . . N 15 N 1 folded 103.2 ppm . . . 74.9 . . 34088 2 3 . . N 15 N . folded 103.2 ppm . . . 74.9 . . 34088 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 6 _Spectral_peak_list.Sample_label $sample_6 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 150ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 59.518 56.337 1 T 1.126e+07 0.00e+00 a 0 0 0 0 2 61.283 56.826 1 T 1.134e+07 0.00e+00 a 0 0 0 0 4 61.184 57.859 1 T 1.676e+07 0.00e+00 a 0 0 0 0 5 60.911 54.648 1 T 1.446e+07 0.00e+00 a 0 0 0 0 6 58.238 51.376 1 T 1.756e+07 0.00e+00 a 0 0 0 0 7 56.997 52.201 1 T 3.659e+07 0.00e+00 a 0 0 0 0 8 60.050 52.321 1 T 1.830e+07 0.00e+00 a 0 0 0 0 9 63.094 50.980 1 T 1.883e+07 0.00e+00 a 0 0 0 0 10 56.081 49.869 1 T 1.305e+07 0.00e+00 a 0 0 0 0 11 54.492 60.947 1 T 1.357e+07 0.00e+00 a 0 0 0 0 12 56.785 61.030 1 T 1.501e+07 0.00e+00 a 0 0 0 0 13 57.882 61.249 1 T 2.331e+07 0.00e+00 a 0 0 0 0 14 49.802 56.041 1 T 2.164e+07 0.00e+00 a 0 0 0 0 17 51.598 56.734 1 T 2.782e+07 0.00e+00 a 0 0 0 0 18 52.315 57.028 1 T 4.804e+07 0.00e+00 a 0 0 0 0 19 51.422 58.368 1 T 2.413e+07 0.00e+00 a 0 0 0 0 20 50.850 63.174 1 T 1.773e+07 0.00e+00 a 0 0 0 0 21 52.315 60.080 1 T 2.279e+07 0.00e+00 a 0 0 0 0 22 50.332 56.887 1 T 1.174e+07 0.00e+00 a 0 0 0 0 23 50.312 56.930 1 T 1.171e+07 0.00e+00 a 0 0 0 0 24 47.988 57.109 1 T 1.222e+07 0.00e+00 a 0 0 0 0 25 46.862 57.051 1 T 3.222e+07 0.00e+00 a 0 0 0 0 26 46.102 58.334 1 T 2.636e+07 0.00e+00 a 0 0 0 0 27 46.038 59.671 1 T 4.509e+07 0.00e+00 a 0 0 0 0 28 45.645 58.692 1 T 1.935e+07 0.00e+00 a 0 0 0 0 29 58.370 46.113 1 T 1.830e+07 0.00e+00 a 0 0 0 0 30 56.989 46.087 1 T 3.194e+07 0.00e+00 a 0 0 0 0 31 59.497 46.163 1 T 3.484e+07 0.00e+00 a 0 0 0 0 32 58.262 44.442 1 T 2.205e+07 0.00e+00 a 0 0 0 0 33 57.687 44.842 1 T 1.178e+07 0.00e+00 a 0 0 0 0 34 56.674 44.525 1 T 1.462e+07 0.00e+00 a 0 0 0 0 35 54.983 45.656 1 T 1.853e+07 0.00e+00 a 0 0 0 0 36 54.357 47.385 1 T 1.632e+07 0.00e+00 a 0 0 0 0 37 52.386 47.233 1 T 1.308e+07 0.00e+00 a 0 0 0 0 38 52.045 45.789 1 T 1.535e+07 0.00e+00 a 0 0 0 0 40 51.565 46.584 1 T 1.761e+07 0.00e+00 a 0 0 0 0 41 47.185 52.228 1 T 1.753e+07 0.00e+00 a 0 0 0 0 42 47.118 51.088 1 T 2.109e+07 0.00e+00 a 0 0 0 0 43 46.439 51.610 1 T 1.944e+07 0.00e+00 a 0 0 0 0 44 45.977 52.137 1 T 1.978e+07 0.00e+00 a 0 0 0 0 45 45.388 51.682 1 T 2.075e+07 0.00e+00 a 0 0 0 0 46 47.528 54.253 1 T 1.240e+07 0.00e+00 a 0 0 0 0 47 47.515 54.372 1 T 1.243e+07 0.00e+00 a 0 0 0 0 48 47.515 54.321 1 T 1.252e+07 0.00e+00 a 0 0 0 0 49 46.717 54.315 1 T 1.431e+07 0.00e+00 a 0 0 0 0 50 46.710 54.250 1 T 1.441e+07 0.00e+00 a 0 0 0 0 51 45.718 54.970 1 T 2.185e+07 0.00e+00 a 0 0 0 0 52 45.982 56.896 1 T 4.009e+07 0.00e+00 a 0 0 0 0 53 44.695 57.678 1 T 1.939e+07 0.00e+00 a 0 0 0 0 54 44.678 56.560 1 T 2.452e+07 0.00e+00 a 0 0 0 0 55 44.704 56.522 1 T 2.448e+07 0.00e+00 a 0 0 0 0 56 44.495 58.201 1 T 2.390e+07 0.00e+00 a 0 0 0 0 57 42.620 56.730 1 T 1.292e+07 0.00e+00 a 0 0 0 0 58 58.085 36.981 1 T 1.417e+07 0.00e+00 a 0 0 0 0 59 57.527 37.252 1 T 1.433e+07 0.00e+00 a 0 0 0 0 60 57.743 36.047 1 T 1.124e+07 0.00e+00 a 0 0 0 0 61 37.114 57.983 1 T 1.661e+07 0.00e+00 a 0 0 0 0 62 28.296 57.050 1 T 2.553e+07 0.00e+00 a 0 0 0 0 63 28.114 55.130 1 T 1.749e+07 0.00e+00 a 0 0 0 0 65 27.777 54.451 1 T 1.609e+07 0.00e+00 a 0 0 0 0 66 28.705 54.254 1 T 1.852e+07 0.00e+00 a 0 0 0 0 68 27.271 54.456 1 T 1.372e+07 0.00e+00 a 0 0 0 0 69 28.741 52.121 1 T 1.110e+07 0.00e+00 a 0 0 0 0 71 27.211 51.928 1 T 1.692e+07 0.00e+00 a 0 0 0 0 72 46.255 35.918 1 T 2.628e+07 0.00e+00 a 0 0 0 0 73 54.596 36.029 1 T 1.543e+07 0.00e+00 a 0 0 0 0 74 35.988 54.585 1 T 1.542e+07 0.00e+00 a 0 0 0 0 75 54.215 28.639 1 T 1.874e+07 0.00e+00 a 0 0 0 0 76 54.512 27.595 1 T 1.938e+07 0.00e+00 a 0 0 0 0 77 56.913 28.261 1 T 2.394e+07 0.00e+00 a 0 0 0 0 78 61.351 26.527 1 T 1.218e+07 0.00e+00 a 0 0 0 0 79 60.421 27.463 1 T 1.242e+07 0.00e+00 a 0 0 0 0 80 27.249 23.483 1 T 1.329e+07 0.00e+00 a 0 0 0 0 81 27.242 23.578 1 T 1.366e+07 0.00e+00 a 0 0 0 0 82 24.128 27.821 1 T 1.429e+07 0.00e+00 a 0 0 0 0 83 23.349 27.310 1 T 1.893e+07 0.00e+00 a 0 0 0 0 84 28.372 26.428 1 T 2.449e+07 0.00e+00 a 0 0 0 0 85 26.666 35.696 1 T 1.299e+07 0.00e+00 a 0 0 0 0 86 59.980 55.345 1 T 1.752e+07 0.00e+00 a 0 0 0 0 87 58.788 55.197 1 T 2.463e+07 0.00e+00 a 0 0 0 0 88 55.114 58.589 1 T 4.081e+07 0.00e+00 a 0 0 0 0 89 55.209 59.922 1 T 3.045e+07 0.00e+00 a 0 0 0 0 90 56.144 59.706 1 T 2.637e+07 0.00e+00 a 0 0 0 0 93 36.080 46.160 1 T 1.950e+07 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 1 . . C 13 C . . 220 Hz . . . 95 . . 34088 3 2 . . C 13 C . . 220 Hz . . . 95 . . 34088 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 150ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 59.425 52.737 1 T 1.426e+07 0.00e+00 a 0 0 0 0 2 57.991 52.847 1 T 1.264e+07 0.00e+00 a 0 0 0 0 3 57.979 52.808 1 T 1.277e+07 0.00e+00 a 0 0 0 0 4 60.041 53.823 1 T 1.286e+07 0.00e+00 a 0 0 0 0 6 58.598 54.265 1 T 1.175e+07 0.00e+00 a 0 0 0 0 7 60.111 56.238 1 T 2.407e+07 0.00e+00 a 0 0 0 0 8 64.597 59.269 1 T 2.098e+07 0.00e+00 a 0 0 0 0 9 62.418 59.182 1 T 1.716e+07 0.00e+00 a 0 0 0 0 13 52.819 59.351 1 T 2.002e+07 0.00e+00 a 0 0 0 0 14 54.000 59.911 1 T 1.435e+07 0.00e+00 a 0 0 0 0 15 53.981 58.201 1 T 1.321e+07 0.00e+00 a 0 0 0 0 16 52.606 58.113 1 T 1.260e+07 0.00e+00 a 0 0 0 0 17 56.332 60.090 1 T 2.289e+07 0.00e+00 a 0 0 0 0 18 59.510 62.178 1 T 1.488e+07 0.00e+00 a 0 0 0 0 19 59.360 64.526 1 T 2.184e+07 0.00e+00 a 0 0 0 0 20 62.428 52.343 1 T 1.109e+07 0.00e+00 a 0 0 0 0 22 52.370 62.325 1 T 1.401e+07 0.00e+00 a 0 0 0 0 23 70.311 36.979 1 T 1.294e+07 0.00e+00 a 0 0 0 0 24 71.384 28.313 1 T 1.180e+07 0.00e+00 a 0 0 0 0 25 67.574 24.508 1 T 1.616e+07 0.00e+00 a 0 0 0 0 26 53.120 23.908 1 T 1.477e+07 0.00e+00 a 0 0 0 0 28 42.869 23.959 1 T 1.425e+07 0.00e+00 a 0 0 0 0 29 43.172 36.968 1 T 1.419e+07 0.00e+00 a 0 0 0 0 31 67.607 54.371 1 T 2.562e+07 0.00e+00 a 0 0 0 0 32 65.749 55.654 1 T 1.681e+07 0.00e+00 a 0 0 0 0 33 54.437 67.501 1 T 1.515e+07 0.00e+00 a 0 0 0 0 34 62.823 65.638 1 T 1.560e+07 0.00e+00 a 0 0 0 0 35 65.819 63.048 1 T 1.627e+07 0.00e+00 a 0 0 0 0 36 37.617 65.602 1 T 1.064e+07 0.00e+00 a 0 0 0 0 37 39.305 59.293 1 T 1.500e+07 0.00e+00 a 0 0 0 0 38 37.047 70.202 1 T 1.036e+07 0.00e+00 a 0 0 0 0 39 42.143 62.278 1 T 1.131e+07 0.00e+00 a 0 0 0 0 40 28.190 71.374 1 T 1.188e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 4 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 5 _Spectral_peak_list.Sample_label $sample_5 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 150ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 60.104 56.195 1 T 1.644e+07 0.00e+00 a 0 0 0 0 2 58.987 55.378 1 T 1.499e+07 0.00e+00 a 0 0 0 0 3 57.070 54.234 1 T 1.606e+07 0.00e+00 a 0 0 0 0 4 59.335 51.131 1 T 2.234e+07 0.00e+00 a 0 0 0 0 5 56.991 50.478 1 T 1.657e+07 0.00e+00 a 0 0 0 0 6 55.292 51.023 1 T 1.909e+07 0.00e+00 a 0 0 0 0 8 56.885 51.462 1 T 1.332e+07 0.00e+00 a 0 0 0 0 9 63.633 45.246 1 T 1.338e+07 0.00e+00 a 0 0 0 0 10 63.050 46.146 1 T 1.352e+07 0.00e+00 a 0 0 0 0 11 62.162 44.678 1 T 1.129e+07 0.00e+00 a 0 0 0 0 12 57.320 44.494 1 T 1.520e+07 0.00e+00 a 0 0 0 0 13 54.852 45.504 1 T 1.197e+07 0.00e+00 a 0 0 0 0 14 53.395 45.374 1 T 1.347e+07 0.00e+00 a 0 0 0 0 15 53.376 45.288 1 T 1.346e+07 0.00e+00 a 0 0 0 0 17 53.355 50.962 1 T 1.974e+07 0.00e+00 a 0 0 0 0 19 52.262 49.605 1 T 1.520e+07 0.00e+00 a 0 0 0 0 20 51.307 47.040 1 T 2.490e+07 0.00e+00 a 0 0 0 0 21 52.268 46.048 1 T 2.614e+07 0.00e+00 a 0 0 0 0 22 51.141 45.419 1 T 5.042e+07 0.00e+00 a 0 0 0 0 23 50.046 45.598 1 T 2.062e+07 0.00e+00 a 0 0 0 0 24 45.459 50.051 1 T 2.613e+07 0.00e+00 a 0 0 0 0 25 42.805 51.445 1 T 1.078e+07 0.00e+00 a 0 0 0 0 26 43.001 52.418 1 T 1.282e+07 0.00e+00 a 0 0 0 0 27 45.300 53.663 1 T 1.565e+07 0.00e+00 a 0 0 0 0 28 45.271 53.581 1 T 1.566e+07 0.00e+00 a 0 0 0 0 29 45.206 53.419 1 T 1.571e+07 0.00e+00 a 0 0 0 0 30 46.625 51.517 1 T 2.695e+07 0.00e+00 a 0 0 0 0 31 45.502 51.142 1 T 4.749e+07 0.00e+00 a 0 0 0 0 32 46.167 52.197 1 T 2.416e+07 0.00e+00 a 0 0 0 0 33 46.166 52.159 1 T 2.415e+07 0.00e+00 a 0 0 0 0 34 47.330 51.207 1 T 1.811e+07 0.00e+00 a 0 0 0 0 35 44.500 57.424 1 T 1.545e+07 0.00e+00 a 0 0 0 0 36 50.925 55.229 1 T 1.421e+07 0.00e+00 a 0 0 0 0 37 50.333 56.882 1 T 1.541e+07 0.00e+00 a 0 0 0 0 38 49.424 58.888 1 T 1.335e+07 0.00e+00 a 0 0 0 0 39 52.891 58.063 1 T 1.448e+07 0.00e+00 a 0 0 0 0 40 52.890 58.106 1 T 1.449e+07 0.00e+00 a 0 0 0 0 41 51.228 59.386 1 T 2.581e+07 0.00e+00 a 0 0 0 0 43 42.788 45.501 1 T 1.608e+07 0.00e+00 a 0 0 0 0 44 45.698 42.718 1 T 2.102e+07 0.00e+00 a 0 0 0 0 45 33.665 28.787 1 T 1.460e+07 0.00e+00 a 0 0 0 0 46 52.052 23.947 1 T 1.345e+07 0.00e+00 a 0 0 0 0 47 23.994 51.136 1 T 1.496e+07 0.00e+00 a 0 0 0 0 48 23.868 52.238 1 T 2.132e+07 0.00e+00 a 0 0 0 0 51 48.961 45.709 1 T 1.777e+07 0.00e+00 a 0 0 0 0 52 56.516 59.073 1 T 2.613e+07 0.00e+00 a 0 0 0 0 53 56.286 60.103 1 T 1.324e+07 0.00e+00 a 0 0 0 0 54 59.064 56.533 1 T 1.289e+07 0.00e+00 a 0 0 0 0 55 56.310 45.973 1 T 1.084e+07 0.00e+00 a 0 0 0 0 56 55.711 46.620 1 T 1.066e+07 0.00e+00 a 0 0 0 0 57 54.742 47.572 1 T 1.043e+07 0.00e+00 a 0 0 0 0 58 60.192 45.775 1 T 1.051e+07 0.00e+00 a 0 0 0 0 59 51.258 53.126 1 T 3.502e+07 0.00e+00 a 0 0 0 0 60 49.793 52.518 1 T 1.295e+07 0.00e+00 a 0 0 0 0 61 48.190 60.277 1 T 1.103e+07 0.00e+00 a 0 0 0 0 62 44.680 62.101 1 T 1.050e+07 0.00e+00 a 0 0 0 0 63 45.723 60.051 1 T 1.069e+07 0.00e+00 a 0 0 0 0 65 54.586 52.496 1 T 2.181e+07 0.00e+00 a 0 0 0 0 66 52.480 54.314 1 T 2.436e+07 0.00e+00 a 0 0 0 0 67 54.422 56.834 1 T 2.184e+07 0.00e+00 a 0 0 0 0 72 51.223 23.896 1 T 2.123e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 5 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 200ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 64.544 51.696 1 T 1.822e+07 0.00e+00 a 0 0 0 0 2 62.101 52.395 1 T 2.180e+07 0.00e+00 a 0 0 0 0 4 62.009 53.266 1 T 1.044e+07 0.00e+00 a 0 0 0 0 5 63.597 53.454 1 T 1.263e+07 0.00e+00 a 0 0 0 0 6 63.581 54.172 1 T 1.903e+07 0.00e+00 a 0 0 0 0 7 63.459 55.439 1 T 1.435e+07 0.00e+00 a 0 0 0 0 8 63.387 53.965 1 T 1.832e+07 0.00e+00 a 0 0 0 0 9 62.661 55.655 1 T 9.561e+06 0.00e+00 a 0 0 0 0 10 62.569 54.778 1 T 2.760e+07 0.00e+00 a 0 0 0 0 12 62.979 53.885 1 T 1.574e+07 0.00e+00 a 0 0 0 0 13 62.423 56.808 1 T 1.229e+07 0.00e+00 a 0 0 0 0 14 62.376 59.415 1 T 1.427e+07 0.00e+00 a 0 0 0 0 15 65.751 55.699 1 T 1.640e+07 0.00e+00 a 0 0 0 0 16 64.863 55.884 1 T 1.148e+07 0.00e+00 a 0 0 0 0 17 64.686 56.383 1 T 1.188e+07 0.00e+00 a 0 0 0 0 18 64.641 59.396 1 T 1.828e+07 0.00e+00 a 0 0 0 0 19 66.684 55.201 1 T 1.171e+07 0.00e+00 a 0 0 0 0 20 67.963 54.749 1 T 3.887e+07 0.00e+00 a 0 0 0 0 21 71.410 55.146 1 T 2.034e+07 0.00e+00 a 0 0 0 0 22 71.387 54.776 1 T 1.758e+07 0.00e+00 a 0 0 0 0 23 70.356 53.201 1 T 1.251e+07 0.00e+00 a 0 0 0 0 24 70.275 52.444 1 T 2.628e+07 0.00e+00 a 0 0 0 0 26 70.099 56.102 1 T 1.514e+07 0.00e+00 a 0 0 0 0 28 69.364 55.715 1 T 1.377e+07 0.00e+00 a 0 0 0 0 29 70.105 53.905 1 T 1.157e+07 0.00e+00 a 0 0 0 0 30 65.816 62.906 1 T 1.343e+07 0.00e+00 a 0 0 0 0 31 64.930 61.408 1 T 1.308e+07 0.00e+00 a 0 0 0 0 32 66.642 44.854 1 T 1.146e+07 0.00e+00 a 0 0 0 0 33 66.372 44.326 1 T 1.063e+07 0.00e+00 a 0 0 0 0 34 66.334 42.196 1 T 1.419e+07 0.00e+00 a 0 0 0 0 35 71.413 44.739 1 T 1.079e+07 0.00e+00 a 0 0 0 0 36 71.355 42.824 1 T 1.500e+07 0.00e+00 a 0 0 0 0 37 71.342 42.493 1 T 1.219e+07 0.00e+00 a 0 0 0 0 38 70.096 39.524 1 T 1.121e+07 0.00e+00 a 0 0 0 0 39 69.207 37.525 1 T 1.413e+07 0.00e+00 a 0 0 0 0 40 65.767 37.530 1 T 2.023e+07 0.00e+00 a 0 0 0 0 41 70.239 36.941 1 T 1.681e+07 0.00e+00 a 0 0 0 0 42 71.403 32.509 1 T 1.247e+07 0.00e+00 a 0 0 0 0 43 71.315 33.274 1 T 1.512e+07 0.00e+00 a 0 0 0 0 44 71.298 28.361 1 T 2.103e+07 0.00e+00 a 0 0 0 0 45 67.633 24.716 1 T 1.598e+07 0.00e+00 a 0 0 0 0 47 64.487 26.695 1 T 1.599e+07 0.00e+00 a 0 0 0 0 48 62.391 25.971 1 T 1.092e+07 0.00e+00 a 0 0 0 0 49 56.497 21.181 1 T 2.474e+07 0.00e+00 a 0 0 0 0 50 54.371 22.127 1 T 2.182e+07 0.00e+00 a 0 0 0 0 51 52.390 21.979 1 T 1.250e+07 0.00e+00 a 0 0 0 0 52 57.604 24.304 1 T 1.068e+07 0.00e+00 a 0 0 0 0 53 56.837 23.836 1 T 2.189e+07 0.00e+00 a 0 0 0 0 54 55.890 24.033 1 T 2.099e+07 0.00e+00 a 0 0 0 0 55 55.794 23.470 1 T 2.841e+07 0.00e+00 a 0 0 0 0 56 51.409 34.610 1 T 1.188e+07 0.00e+00 a 0 0 0 0 57 52.400 47.663 1 T 1.232e+07 0.00e+00 a 0 0 0 0 58 62.461 42.265 1 T 1.125e+07 0.00e+00 a 0 0 0 0 59 53.272 64.513 1 T 2.032e+07 0.00e+00 a 0 0 0 0 60 53.868 63.459 1 T 2.092e+07 0.00e+00 a 0 0 0 0 61 54.241 63.291 1 T 2.098e+07 0.00e+00 a 0 0 0 0 62 54.606 62.346 1 T 2.553e+07 0.00e+00 a 0 0 0 0 63 55.051 62.503 1 T 2.409e+07 0.00e+00 a 0 0 0 0 64 54.247 62.819 1 T 1.261e+07 0.00e+00 a 0 0 0 0 65 54.115 62.753 1 T 1.301e+07 0.00e+00 a 0 0 0 0 66 53.975 62.708 1 T 1.376e+07 0.00e+00 a 0 0 0 0 67 54.705 62.844 1 T 1.731e+07 0.00e+00 a 0 0 0 0 68 55.653 63.040 1 T 1.598e+07 0.00e+00 a 0 0 0 0 69 53.290 70.221 1 T 1.892e+07 0.00e+00 a 0 0 0 0 70 52.427 70.206 1 T 3.372e+07 0.00e+00 a 0 0 0 0 71 54.871 71.393 1 T 2.165e+07 0.00e+00 a 0 0 0 0 72 56.055 70.024 1 T 2.091e+07 0.00e+00 a 0 0 0 0 73 55.787 69.203 1 T 1.536e+07 0.00e+00 a 0 0 0 0 74 56.920 71.543 1 T 1.086e+07 0.00e+00 a 0 0 0 0 75 55.814 65.724 1 T 1.362e+07 0.00e+00 a 0 0 0 0 76 59.308 62.361 1 T 1.527e+07 0.00e+00 a 0 0 0 0 77 59.321 64.532 1 T 1.828e+07 0.00e+00 a 0 0 0 0 78 56.839 62.451 1 T 1.144e+07 0.00e+00 a 0 0 0 0 79 52.519 62.402 1 T 1.883e+07 0.00e+00 a 0 0 0 0 80 52.423 62.029 1 T 2.631e+07 0.00e+00 a 0 0 0 0 81 51.701 64.511 1 T 1.796e+07 0.00e+00 a 0 0 0 0 82 49.652 54.577 1 T 1.568e+07 0.00e+00 a 0 0 0 0 83 54.604 49.556 1 T 1.372e+07 0.00e+00 a 0 0 0 0 84 55.091 51.151 1 T 1.327e+07 0.00e+00 a 0 0 0 0 85 51.289 54.804 1 T 1.446e+07 0.00e+00 a 0 0 0 0 86 51.124 55.168 1 T 1.420e+07 0.00e+00 a 0 0 0 0 87 52.656 58.081 1 T 2.243e+07 0.00e+00 a 0 0 0 0 88 54.145 59.941 1 T 2.112e+07 0.00e+00 a 0 0 0 0 89 54.461 59.524 1 T 2.743e+07 0.00e+00 a 0 0 0 0 90 55.631 59.998 1 T 2.783e+07 0.00e+00 a 0 0 0 0 91 56.161 59.964 1 T 3.188e+07 0.00e+00 a 0 0 0 0 92 56.518 60.868 1 T 1.865e+07 0.00e+00 a 0 0 0 0 93 55.162 59.398 1 T 2.409e+07 0.00e+00 a 0 0 0 0 94 55.135 58.850 1 T 2.260e+07 0.00e+00 a 0 0 0 0 95 56.770 59.405 1 T 1.780e+07 0.00e+00 a 0 0 0 0 96 55.908 58.068 1 T 6.500e+07 0.00e+00 a 0 0 0 0 97 55.170 58.087 1 T 3.154e+07 0.00e+00 a 0 0 0 0 98 53.681 56.825 1 T 3.711e+07 0.00e+00 a 0 0 0 0 99 52.887 56.113 1 T 2.991e+07 0.00e+00 a 0 0 0 0 100 52.893 55.988 1 T 2.944e+07 0.00e+00 a 0 0 0 0 101 52.260 54.554 1 T 4.651e+07 0.00e+00 a 0 0 0 0 102 52.681 54.393 1 T 6.704e+07 0.00e+00 a 0 0 0 0 103 52.996 55.271 1 T 3.960e+07 0.00e+00 a 0 0 0 0 104 59.084 57.181 1 T 2.941e+07 0.00e+00 a 0 0 0 0 105 58.016 55.949 1 T 7.399e+07 0.00e+00 a 0 0 0 0 106 58.582 56.488 1 T 3.602e+07 0.00e+00 a 0 0 0 0 107 60.023 56.089 1 T 3.891e+07 0.00e+00 a 0 0 0 0 108 60.084 55.414 1 T 3.026e+07 0.00e+00 a 0 0 0 0 109 59.973 55.313 1 T 3.022e+07 0.00e+00 a 0 0 0 0 110 59.626 55.180 1 T 3.153e+07 0.00e+00 a 0 0 0 0 111 59.254 55.154 1 T 3.315e+07 0.00e+00 a 0 0 0 0 112 58.919 54.801 1 T 2.947e+07 0.00e+00 a 0 0 0 0 113 58.587 54.627 1 T 2.581e+07 0.00e+00 a 0 0 0 0 114 58.242 54.758 1 T 2.657e+07 0.00e+00 a 0 0 0 0 115 58.195 54.498 1 T 2.896e+07 0.00e+00 a 0 0 0 0 116 57.874 54.254 1 T 2.570e+07 0.00e+00 a 0 0 0 0 118 59.945 54.374 1 T 2.452e+07 0.00e+00 a 0 0 0 0 119 59.917 54.289 1 T 2.524e+07 0.00e+00 a 0 0 0 0 120 59.388 54.553 1 T 2.851e+07 0.00e+00 a 0 0 0 0 121 56.871 53.497 1 T 3.355e+07 0.00e+00 a 0 0 0 0 122 56.449 52.941 1 T 2.831e+07 0.00e+00 a 0 0 0 0 123 58.009 52.753 1 T 2.141e+07 0.00e+00 a 0 0 0 0 124 55.723 52.853 1 T 3.421e+07 0.00e+00 a 0 0 0 0 125 54.240 51.811 1 T 3.161e+07 0.00e+00 a 0 0 0 0 126 52.810 51.292 1 T 2.200e+07 0.00e+00 a 0 0 0 0 127 51.581 53.303 1 T 2.069e+07 0.00e+00 a 0 0 0 0 128 51.339 52.544 1 T 2.160e+07 0.00e+00 a 0 0 0 0 129 67.438 33.496 1 T 1.058e+07 0.00e+00 a 0 0 0 0 130 42.373 18.454 1 T 1.339e+07 0.00e+00 a 0 0 0 0 131 46.671 24.951 1 T 1.256e+07 0.00e+00 a 0 0 0 0 132 46.530 24.221 1 T 1.474e+07 0.00e+00 a 0 0 0 0 133 47.769 25.442 1 T 1.323e+07 0.00e+00 a 0 0 0 0 134 48.167 26.353 1 T 1.822e+07 0.00e+00 a 0 0 0 0 135 47.254 26.209 1 T 2.064e+07 0.00e+00 a 0 0 0 0 137 46.949 26.779 1 T 2.607e+07 0.00e+00 a 0 0 0 0 138 47.643 26.935 1 T 1.911e+07 0.00e+00 a 0 0 0 0 139 18.459 42.415 1 T 1.175e+07 0.00e+00 a 0 0 0 0 140 22.305 42.785 1 T 1.268e+07 0.00e+00 a 0 0 0 0 141 21.514 39.932 1 T 1.137e+07 0.00e+00 a 0 0 0 0 142 24.410 39.110 1 T 1.174e+07 0.00e+00 a 0 0 0 0 143 23.600 39.476 1 T 1.207e+07 0.00e+00 a 0 0 0 0 144 22.161 55.814 1 T 1.309e+07 0.00e+00 a 0 0 0 0 145 22.132 54.975 1 T 1.375e+07 0.00e+00 a 0 0 0 0 146 24.378 57.545 1 T 1.953e+07 0.00e+00 a 0 0 0 0 147 23.937 56.588 1 T 2.216e+07 0.00e+00 a 0 0 0 0 148 23.778 56.917 1 T 1.740e+07 0.00e+00 a 0 0 0 0 149 24.761 67.690 1 T 1.836e+07 0.00e+00 a 0 0 0 0 150 28.616 60.855 1 T 1.529e+07 0.00e+00 a 0 0 0 0 151 60.927 28.581 1 T 1.788e+07 0.00e+00 a 0 0 0 0 152 60.400 28.458 1 T 1.278e+07 0.00e+00 a 0 0 0 0 153 60.731 34.875 1 T 1.140e+07 0.00e+00 a 0 0 0 0 154 28.429 71.284 1 T 2.458e+07 0.00e+00 a 0 0 0 0 155 33.168 71.257 1 T 1.443e+07 0.00e+00 a 0 0 0 0 156 32.601 71.347 1 T 1.540e+07 0.00e+00 a 0 0 0 0 157 36.979 70.189 1 T 1.930e+07 0.00e+00 a 0 0 0 0 158 37.542 69.240 1 T 1.480e+07 0.00e+00 a 0 0 0 0 159 37.522 65.695 1 T 1.674e+07 0.00e+00 a 0 0 0 0 160 36.970 64.606 1 T 1.172e+07 0.00e+00 a 0 0 0 0 161 32.500 59.374 1 T 1.218e+07 0.00e+00 a 0 0 0 0 162 42.440 71.331 1 T 1.669e+07 0.00e+00 a 0 0 0 0 163 44.750 71.398 1 T 1.211e+07 0.00e+00 a 0 0 0 0 164 42.788 73.545 1 T 1.170e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 6 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 6 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 7 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 200ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 2 64.282 51.185 1 T 1.996e+07 0.00e+00 a 0 0 0 0 3 63.236 49.864 1 T 1.628e+07 0.00e+00 a 0 0 0 0 4 62.785 50.435 1 T 1.991e+07 0.00e+00 a 0 0 0 0 5 59.129 57.191 1 T 9.172e+07 0.00e+00 a 0 0 0 0 6 59.900 56.193 1 T 3.733e+07 0.00e+00 a 0 0 0 0 7 60.987 55.895 1 T 2.578e+07 0.00e+00 a 0 0 0 0 8 60.902 54.542 1 T 3.094e+07 0.00e+00 a 0 0 0 0 9 61.224 56.878 1 T 2.819e+07 0.00e+00 a 0 0 0 0 10 61.255 57.900 1 T 3.726e+07 0.00e+00 a 0 0 0 0 11 62.465 58.819 1 T 1.973e+07 0.00e+00 a 0 0 0 0 12 62.326 59.394 1 T 2.255e+07 0.00e+00 a 0 0 0 0 13 61.414 59.270 1 T 3.777e+07 0.00e+00 a 0 0 0 0 14 61.254 58.816 1 T 2.858e+07 0.00e+00 a 0 0 0 0 15 60.055 55.377 1 T 3.964e+07 0.00e+00 a 0 0 0 0 16 59.652 54.529 1 T 2.881e+07 0.00e+00 a 0 0 0 0 17 59.589 54.994 1 T 4.345e+07 0.00e+00 a 0 0 0 0 18 59.372 54.098 1 T 1.861e+07 0.00e+00 a 0 0 0 0 19 59.217 54.055 1 T 1.810e+07 0.00e+00 a 0 0 0 0 20 58.772 54.924 1 T 3.820e+07 0.00e+00 a 0 0 0 0 21 58.588 54.483 1 T 2.496e+07 0.00e+00 a 0 0 0 0 22 58.060 55.002 1 T 4.575e+07 0.00e+00 a 0 0 0 0 23 56.811 53.338 1 T 3.483e+07 0.00e+00 a 0 0 0 0 24 57.114 55.114 1 T 8.580e+07 0.00e+00 a 0 0 0 0 25 58.193 52.331 1 T 2.961e+07 0.00e+00 a 0 0 0 0 26 57.075 52.309 1 T 6.322e+07 0.00e+00 a 0 0 0 0 27 56.252 52.248 1 T 2.926e+07 0.00e+00 a 0 0 0 0 28 57.123 51.169 1 T 4.920e+07 0.00e+00 a 0 0 0 0 29 59.384 51.162 1 T 3.847e+07 0.00e+00 a 0 0 0 0 30 58.433 51.414 1 T 3.282e+07 0.00e+00 a 0 0 0 0 31 57.108 50.445 1 T 1.586e+07 0.00e+00 a 0 0 0 0 32 56.164 49.870 1 T 3.516e+07 0.00e+00 a 0 0 0 0 33 55.248 52.181 1 T 2.196e+07 0.00e+00 a 0 0 0 0 34 54.330 52.248 1 T 5.378e+07 0.00e+00 a 0 0 0 0 35 55.035 51.151 1 T 3.146e+07 0.00e+00 a 0 0 0 0 36 53.106 51.045 1 T 6.820e+07 0.00e+00 a 0 0 0 0 37 51.184 48.053 1 T 1.711e+07 0.00e+00 a 0 0 0 0 38 49.818 45.275 1 T 3.616e+07 0.00e+00 a 0 0 0 0 39 48.793 45.941 1 T 2.009e+07 0.00e+00 a 0 0 0 0 40 49.848 44.258 1 T 1.617e+07 0.00e+00 a 0 0 0 0 41 49.992 46.056 1 T 1.616e+07 0.00e+00 a 0 0 0 0 42 51.575 46.681 1 T 2.645e+07 0.00e+00 a 0 0 0 0 43 51.169 47.179 1 T 3.649e+07 0.00e+00 a 0 0 0 0 44 52.297 47.105 1 T 1.983e+07 0.00e+00 a 0 0 0 0 45 52.217 46.041 1 T 3.346e+07 0.00e+00 a 0 0 0 0 46 51.234 45.928 1 T 3.141e+07 0.00e+00 a 0 0 0 0 47 51.212 45.374 1 T 7.772e+07 0.00e+00 a 0 0 0 0 48 51.103 44.066 1 T 1.624e+07 0.00e+00 a 0 0 0 0 49 52.225 43.577 1 T 1.667e+07 0.00e+00 a 0 0 0 0 50 51.137 42.659 1 T 2.039e+07 0.00e+00 a 0 0 0 0 51 50.487 42.901 1 T 1.641e+07 0.00e+00 a 0 0 0 0 52 50.415 42.389 1 T 2.631e+07 0.00e+00 a 0 0 0 0 53 51.743 42.321 1 T 2.982e+07 0.00e+00 a 0 0 0 0 54 54.835 48.084 1 T 1.778e+07 0.00e+00 a 0 0 0 0 55 54.534 47.656 1 T 2.564e+07 0.00e+00 a 0 0 0 0 56 54.289 46.929 1 T 2.793e+07 0.00e+00 a 0 0 0 0 57 55.171 47.072 1 T 1.822e+07 0.00e+00 a 0 0 0 0 58 55.141 45.933 1 T 3.572e+07 0.00e+00 a 0 0 0 0 59 56.963 46.073 1 T 4.769e+07 0.00e+00 a 0 0 0 0 60 56.151 46.121 1 T 2.425e+07 0.00e+00 a 0 0 0 0 61 57.264 46.623 1 T 3.420e+07 0.00e+00 a 0 0 0 0 62 57.032 47.090 1 T 2.746e+07 0.00e+00 a 0 0 0 0 63 56.783 44.549 1 T 3.925e+07 0.00e+00 a 0 0 0 0 64 57.784 45.196 1 T 2.928e+07 0.00e+00 a 0 0 0 0 65 55.216 44.770 1 T 3.333e+07 0.00e+00 a 0 0 0 0 66 54.933 44.271 1 T 2.518e+07 0.00e+00 a 0 0 0 0 67 54.153 44.120 1 T 1.728e+07 0.00e+00 a 0 0 0 0 68 56.911 42.749 1 T 2.180e+07 0.00e+00 a 0 0 0 0 69 56.767 42.384 1 T 1.908e+07 0.00e+00 a 0 0 0 0 70 56.738 42.142 1 T 1.743e+07 0.00e+00 a 0 0 0 0 71 56.207 42.601 1 T 1.770e+07 0.00e+00 a 0 0 0 0 72 58.398 46.220 1 T 2.336e+07 0.00e+00 a 0 0 0 0 73 59.661 46.098 1 T 4.800e+07 0.00e+00 a 0 0 0 0 74 59.546 46.652 1 T 1.794e+07 0.00e+00 a 0 0 0 0 75 60.134 52.333 1 T 4.658e+07 0.00e+00 a 0 0 0 0 76 58.160 37.142 1 T 3.391e+07 0.00e+00 a 0 0 0 0 77 57.266 37.217 1 T 2.925e+07 0.00e+00 a 0 0 0 0 78 57.527 33.559 1 T 2.152e+07 0.00e+00 a 0 0 0 0 79 54.472 33.353 1 T 2.208e+07 0.00e+00 a 0 0 0 0 80 54.739 34.790 1 T 1.935e+07 0.00e+00 a 0 0 0 0 81 54.719 36.063 1 T 3.612e+07 0.00e+00 a 0 0 0 0 82 58.068 28.141 1 T 2.689e+07 0.00e+00 a 0 0 0 0 83 46.150 36.148 1 T 3.251e+07 0.00e+00 a 0 0 0 0 84 51.349 28.354 1 T 1.706e+07 0.00e+00 a 0 0 0 0 85 51.145 27.946 1 T 2.568e+07 0.00e+00 a 0 0 0 0 86 51.069 28.697 1 T 1.695e+07 0.00e+00 a 0 0 0 0 88 58.167 44.517 1 T 3.105e+07 0.00e+00 a 0 0 0 0 89 53.398 52.334 1 T 8.212e+07 0.00e+00 a 0 0 0 0 90 51.179 59.350 1 T 4.644e+07 0.00e+00 a 0 0 0 0 91 52.395 60.115 1 T 3.943e+07 0.00e+00 a 0 0 0 0 92 51.310 58.375 1 T 2.555e+07 0.00e+00 a 0 0 0 0 93 51.281 57.601 1 T 3.961e+07 0.00e+00 a 0 0 0 0 94 51.364 57.029 1 T 5.604e+07 0.00e+00 a 0 0 0 0 95 52.589 58.134 1 T 2.978e+07 0.00e+00 a 0 0 0 0 96 52.259 57.040 1 T 6.501e+07 0.00e+00 a 0 0 0 0 97 52.753 56.346 1 T 3.343e+07 0.00e+00 a 0 0 0 0 98 52.288 56.290 1 T 3.586e+07 0.00e+00 a 0 0 0 0 99 51.216 55.103 1 T 3.626e+07 0.00e+00 a 0 0 0 0 100 50.987 53.870 1 T 3.441e+07 0.00e+00 a 0 0 0 0 101 51.221 53.270 1 T 5.221e+07 0.00e+00 a 0 0 0 0 102 52.296 54.469 1 T 5.564e+07 0.00e+00 a 0 0 0 0 103 51.726 53.827 1 T 3.342e+07 0.00e+00 a 0 0 0 0 104 51.562 54.465 1 T 2.315e+07 0.00e+00 a 0 0 0 0 105 51.254 54.540 1 T 2.393e+07 0.00e+00 a 0 0 0 0 106 49.886 56.160 1 T 4.244e+07 0.00e+00 a 0 0 0 0 107 52.774 54.949 1 T 3.298e+07 0.00e+00 a 0 0 0 0 108 52.992 55.267 1 T 2.730e+07 0.00e+00 a 0 0 0 0 109 53.146 55.961 1 T 2.865e+07 0.00e+00 a 0 0 0 0 110 53.229 56.849 1 T 4.357e+07 0.00e+00 a 0 0 0 0 111 53.732 55.888 1 T 4.627e+07 0.00e+00 a 0 0 0 0 112 53.903 56.688 1 T 4.980e+07 0.00e+00 a 0 0 0 0 113 54.225 57.047 1 T 5.612e+07 0.00e+00 a 0 0 0 0 114 54.787 56.335 1 T 1.323e+08 0.00e+00 a 0 0 0 0 115 54.528 56.658 1 T 9.119e+07 0.00e+00 a 0 0 0 0 116 54.881 57.042 1 T 8.702e+07 0.00e+00 a 0 0 0 0 117 55.326 60.054 1 T 4.124e+07 0.00e+00 a 0 0 0 0 118 54.946 59.582 1 T 4.511e+07 0.00e+00 a 0 0 0 0 119 54.946 58.746 1 T 3.878e+07 0.00e+00 a 0 0 0 0 120 55.254 58.028 1 T 4.119e+07 0.00e+00 a 0 0 0 0 121 56.272 59.676 1 T 3.809e+07 0.00e+00 a 0 0 0 0 122 57.161 59.268 1 T 8.333e+07 0.00e+00 a 0 0 0 0 123 58.323 60.571 1 T 3.469e+07 0.00e+00 a 0 0 0 0 124 57.868 61.272 1 T 3.541e+07 0.00e+00 a 0 0 0 0 125 56.869 61.430 1 T 2.438e+07 0.00e+00 a 0 0 0 0 126 56.680 60.902 1 T 2.093e+07 0.00e+00 a 0 0 0 0 127 59.058 61.217 1 T 3.729e+07 0.00e+00 a 0 0 0 0 128 56.152 57.640 1 T 1.194e+08 0.00e+00 a 0 0 0 0 129 54.610 60.925 1 T 2.276e+07 0.00e+00 a 0 0 0 0 131 50.501 62.769 1 T 1.952e+07 0.00e+00 a 0 0 0 0 132 46.152 59.630 1 T 5.234e+07 0.00e+00 a 0 0 0 0 133 46.149 58.397 1 T 2.840e+07 0.00e+00 a 0 0 0 0 134 47.057 56.967 1 T 2.632e+07 0.00e+00 a 0 0 0 0 135 46.421 57.232 1 T 4.993e+07 0.00e+00 a 0 0 0 0 136 46.077 56.992 1 T 4.803e+07 0.00e+00 a 0 0 0 0 137 45.410 57.884 1 T 1.969e+07 0.00e+00 a 0 0 0 0 138 44.554 58.339 1 T 3.399e+07 0.00e+00 a 0 0 0 0 139 44.712 57.213 1 T 2.946e+07 0.00e+00 a 0 0 0 0 140 44.596 56.766 1 T 4.791e+07 0.00e+00 a 0 0 0 0 141 44.766 56.254 1 T 2.762e+07 0.00e+00 a 0 0 0 0 142 44.654 56.362 1 T 2.782e+07 0.00e+00 a 0 0 0 0 143 44.360 55.842 1 T 1.981e+07 0.00e+00 a 0 0 0 0 145 48.088 54.463 1 T 2.192e+07 0.00e+00 a 0 0 0 0 146 47.515 54.385 1 T 2.239e+07 0.00e+00 a 0 0 0 0 147 46.454 54.370 1 T 2.502e+07 0.00e+00 a 0 0 0 0 148 42.791 51.116 1 T 2.327e+07 0.00e+00 a 0 0 0 0 150 42.288 51.728 1 T 2.372e+07 0.00e+00 a 0 0 0 0 151 45.335 49.846 1 T 3.944e+07 0.00e+00 a 0 0 0 0 152 45.426 51.166 1 T 7.308e+07 0.00e+00 a 0 0 0 0 153 45.321 51.726 1 T 2.422e+07 0.00e+00 a 0 0 0 0 154 46.034 52.200 1 T 3.661e+07 0.00e+00 a 0 0 0 0 155 47.020 52.234 1 T 2.842e+07 0.00e+00 a 0 0 0 0 156 46.617 51.474 1 T 2.133e+07 0.00e+00 a 0 0 0 0 157 47.147 51.097 1 T 3.832e+07 0.00e+00 a 0 0 0 0 158 48.729 50.929 1 T 2.798e+07 0.00e+00 a 0 0 0 0 159 48.093 51.037 1 T 2.290e+07 0.00e+00 a 0 0 0 0 160 37.218 58.148 1 T 3.079e+07 0.00e+00 a 0 0 0 0 161 37.203 57.237 1 T 2.923e+07 0.00e+00 a 0 0 0 0 162 36.098 54.583 1 T 2.829e+07 0.00e+00 a 0 0 0 0 163 36.233 46.173 1 T 3.164e+07 0.00e+00 a 0 0 0 0 164 27.462 23.592 1 T 3.519e+07 0.00e+00 a 0 0 0 0 165 27.849 24.353 1 T 1.992e+07 0.00e+00 a 0 0 0 0 166 23.745 27.399 1 T 3.148e+07 0.00e+00 a 0 0 0 0 167 24.230 27.798 1 T 1.944e+07 0.00e+00 a 0 0 0 0 168 35.208 43.109 1 T 2.862e+07 0.00e+00 a 0 0 0 0 169 51.085 35.456 1 T 1.884e+07 0.00e+00 a 0 0 0 0 170 28.178 58.055 1 T 1.892e+07 0.00e+00 a 0 0 0 0 171 28.938 52.299 1 T 1.959e+07 0.00e+00 a 0 0 0 0 172 47.438 43.559 1 T 2.622e+07 0.00e+00 a 0 0 0 0 173 43.470 47.505 1 T 2.049e+07 0.00e+00 a 0 0 0 0 175 42.586 45.907 1 T 2.174e+07 0.00e+00 a 0 0 0 0 176 42.485 45.856 1 T 2.163e+07 0.00e+00 a 0 0 0 0 177 46.102 42.488 1 T 2.055e+07 0.00e+00 a 0 0 0 0 178 42.354 40.242 1 T 2.280e+07 0.00e+00 a 0 0 0 0 179 40.207 42.349 1 T 2.750e+07 0.00e+00 a 0 0 0 0 180 43.317 41.186 1 T 2.669e+07 0.00e+00 a 0 0 0 0 181 40.977 43.572 1 T 2.055e+07 0.00e+00 a 0 0 0 0 182 26.378 28.376 1 T 4.551e+07 0.00e+00 a 0 0 0 0 183 28.446 26.402 1 T 5.667e+07 0.00e+00 a 0 0 0 0 184 57.939 35.975 1 T 1.630e+07 0.00e+00 a 0 0 0 0 185 56.890 35.938 1 T 1.807e+07 0.00e+00 a 0 0 0 0 186 59.317 62.322 1 T 2.025e+07 0.00e+00 a 0 0 0 0 187 58.827 62.496 1 T 1.859e+07 0.00e+00 a 0 0 0 0 188 55.813 60.984 1 T 1.673e+07 0.00e+00 a 0 0 0 0 189 56.895 62.244 1 T 1.566e+07 0.00e+00 a 0 0 0 0 190 62.287 57.040 1 T 1.552e+07 0.00e+00 a 0 0 0 0 191 63.293 56.639 1 T 1.664e+07 0.00e+00 a 0 0 0 0 192 42.707 57.195 1 T 1.652e+07 0.00e+00 a 0 0 0 0 193 42.691 56.048 1 T 1.605e+07 0.00e+00 a 0 0 0 0 194 42.729 54.468 1 T 1.458e+07 0.00e+00 a 0 0 0 0 195 35.914 57.860 1 T 1.696e+07 0.00e+00 a 0 0 0 0 196 33.546 57.441 1 T 2.042e+07 0.00e+00 a 0 0 0 0 197 33.273 57.179 1 T 1.585e+07 0.00e+00 a 0 0 0 0 198 27.698 62.240 1 T 1.549e+07 0.00e+00 a 0 0 0 0 199 62.310 27.677 1 T 1.407e+07 0.00e+00 a 0 0 0 0 201 28.036 51.226 1 T 1.629e+07 0.00e+00 a 0 0 0 0 202 27.898 51.723 1 T 1.911e+07 0.00e+00 a 0 0 0 0 204 27.843 52.984 1 T 1.654e+07 0.00e+00 a 0 0 0 0 205 52.323 29.060 1 T 1.533e+07 0.00e+00 a 0 0 0 0 206 53.021 27.798 1 T 1.634e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 7 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 7 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 8 _Spectral_peak_list.Sample_ID 7 _Spectral_peak_list.Sample_label $sample_7 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 500ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 65.982 58.760 1 T 9.641e+06 0.00e+00 a 0 0 0 0 2 66.843 58.689 1 T 1.762e+07 0.00e+00 a 0 0 0 0 3 67.362 55.370 1 T 1.483e+07 0.00e+00 a 0 0 0 0 4 68.398 46.335 1 T 9.340e+06 0.00e+00 a 0 0 0 0 5 67.357 43.336 1 T 9.684e+06 0.00e+00 a 0 0 0 0 6 64.973 56.864 1 T 1.497e+07 0.00e+00 a 0 0 0 0 7 60.075 52.243 1 T 1.841e+07 0.00e+00 a 0 0 0 0 8 56.176 49.797 1 T 2.122e+07 0.00e+00 a 0 0 0 0 9 57.072 49.962 1 T 1.068e+07 0.00e+00 a 0 0 0 0 10 57.121 50.902 1 T 1.032e+07 0.00e+00 a 0 0 0 0 11 57.010 52.059 1 T 2.541e+07 0.00e+00 a 0 0 0 0 12 56.914 51.670 1 T 1.340e+07 0.00e+00 a 0 0 0 0 13 57.869 52.246 1 T 9.721e+06 0.00e+00 a 0 0 0 0 14 56.266 54.440 1 T 1.334e+07 0.00e+00 a 0 0 0 0 15 60.151 55.429 1 T 2.294e+07 0.00e+00 a 0 0 0 0 16 55.014 57.020 1 T 1.414e+07 0.00e+00 a 0 0 0 0 17 59.631 56.297 1 T 3.098e+07 0.00e+00 a 0 0 0 0 18 56.256 59.626 1 T 2.417e+07 0.00e+00 a 0 0 0 0 19 55.358 60.077 1 T 1.764e+07 0.00e+00 a 0 0 0 0 20 56.953 58.314 1 T 6.368e+07 0.00e+00 a 0 0 0 0 21 58.424 59.874 1 T 2.170e+07 0.00e+00 a 0 0 0 0 22 55.373 67.359 1 T 1.481e+07 0.00e+00 a 0 0 0 0 23 49.447 64.577 1 T 1.004e+07 0.00e+00 a 0 0 0 0 24 52.290 60.138 1 T 1.860e+07 0.00e+00 a 0 0 0 0 26 49.728 56.104 1 T 2.169e+07 0.00e+00 a 0 0 0 0 27 52.197 56.586 1 T 1.153e+07 0.00e+00 a 0 0 0 0 28 52.081 57.080 1 T 2.494e+07 0.00e+00 a 0 0 0 0 29 51.353 57.168 1 T 1.429e+07 0.00e+00 a 0 0 0 0 30 59.667 46.057 1 T 2.367e+07 0.00e+00 a 0 0 0 0 31 46.029 59.647 1 T 3.036e+07 0.00e+00 a 0 0 0 0 32 58.380 46.161 1 T 2.647e+07 0.00e+00 a 0 0 0 0 33 46.152 58.401 1 T 3.804e+07 0.00e+00 a 0 0 0 0 34 52.069 45.989 1 T 8.434e+06 0.00e+00 a 0 0 0 0 35 51.859 45.310 1 T 9.031e+06 0.00e+00 a 0 0 0 0 36 51.199 46.343 1 T 8.943e+06 0.00e+00 a 0 0 0 0 37 51.142 46.996 1 T 1.330e+07 0.00e+00 a 0 0 0 0 38 49.752 43.299 1 T 1.540e+07 0.00e+00 a 0 0 0 0 40 52.195 42.231 1 T 2.607e+07 0.00e+00 a 0 0 0 0 41 52.107 42.967 1 T 1.601e+07 0.00e+00 a 0 0 0 0 42 47.018 50.912 1 T 1.058e+07 0.00e+00 a 0 0 0 0 43 46.402 51.343 1 T 1.219e+07 0.00e+00 a 0 0 0 0 44 45.204 50.943 1 T 1.049e+07 0.00e+00 a 0 0 0 0 45 43.358 49.836 1 T 1.628e+07 0.00e+00 a 0 0 0 0 47 42.232 52.218 1 T 2.637e+07 0.00e+00 a 0 0 0 0 48 46.172 39.303 1 T 2.048e+07 0.00e+00 a 0 0 0 0 49 39.259 46.152 1 T 1.906e+07 0.00e+00 a 0 0 0 0 50 40.732 44.647 1 T 1.424e+07 0.00e+00 a 0 0 0 0 51 44.752 40.771 1 T 2.043e+07 0.00e+00 a 0 0 0 0 52 42.252 45.269 1 T 2.563e+07 0.00e+00 a 0 0 0 0 53 43.161 46.007 1 T 2.810e+07 0.00e+00 a 0 0 0 0 54 43.340 45.402 1 T 2.617e+07 0.00e+00 a 0 0 0 0 55 42.393 44.268 1 T 4.030e+07 0.00e+00 a 0 0 0 0 56 39.697 42.717 1 T 1.127e+07 0.00e+00 a 0 0 0 0 57 39.308 42.425 1 T 1.871e+07 0.00e+00 a 0 0 0 0 58 43.196 39.338 1 T 1.283e+07 0.00e+00 a 0 0 0 0 59 42.689 39.133 1 T 1.102e+07 0.00e+00 a 0 0 0 0 60 42.429 39.602 1 T 1.235e+07 0.00e+00 a 0 0 0 0 61 42.196 39.206 1 T 9.902e+06 0.00e+00 a 0 0 0 0 62 42.096 39.208 1 T 9.688e+06 0.00e+00 a 0 0 0 0 63 45.947 42.498 1 T 3.064e+07 0.00e+00 a 0 0 0 0 64 45.454 41.373 1 T 1.367e+07 0.00e+00 a 0 0 0 0 65 45.195 42.834 1 T 2.052e+07 0.00e+00 a 0 0 0 0 66 46.508 44.480 1 T 5.040e+07 0.00e+00 a 0 0 0 0 67 44.452 46.543 1 T 4.998e+07 0.00e+00 a 0 0 0 0 68 42.337 48.007 1 T 1.090e+07 0.00e+00 a 0 0 0 0 69 25.050 24.021 1 T 1.109e+07 0.00e+00 a 0 0 0 0 70 45.682 48.019 1 T 1.226e+07 0.00e+00 a 0 0 0 0 71 58.256 24.759 1 T 9.221e+06 0.00e+00 a 0 0 0 0 72 60.099 24.638 1 T 2.513e+07 0.00e+00 a 0 0 0 0 73 59.720 24.318 1 T 9.957e+06 0.00e+00 a 0 0 0 0 74 57.069 24.439 1 T 1.572e+07 0.00e+00 a 0 0 0 0 75 56.972 23.979 1 T 1.865e+07 0.00e+00 a 0 0 0 0 76 56.144 22.199 1 T 1.084e+07 0.00e+00 a 0 0 0 0 78 42.207 24.572 1 T 2.700e+07 0.00e+00 a 0 0 0 0 79 46.606 24.092 1 T 1.471e+07 0.00e+00 a 0 0 0 0 81 43.343 22.140 1 T 1.217e+07 0.00e+00 a 0 0 0 0 82 24.265 46.887 1 T 1.037e+07 0.00e+00 a 0 0 0 0 83 24.227 46.920 1 T 1.042e+07 0.00e+00 a 0 0 0 0 84 24.123 47.212 1 T 1.047e+07 0.00e+00 a 0 0 0 0 85 24.545 42.307 1 T 2.335e+07 0.00e+00 a 0 0 0 0 86 22.197 56.117 1 T 1.296e+07 0.00e+00 a 0 0 0 0 87 24.050 56.834 1 T 2.253e+07 0.00e+00 a 0 0 0 0 88 24.583 58.060 1 T 1.189e+07 0.00e+00 a 0 0 0 0 89 24.605 60.070 1 T 2.176e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 8 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 8 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 9 _Spectral_peak_list.Sample_ID 6 _Spectral_peak_list.Sample_label $sample_6 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 400ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 72.045 52.384 1 T 7.240e+06 0.00e+00 a 0 0 0 0 2 73.557 52.321 1 T 9.892e+06 0.00e+00 a 0 0 0 0 3 70.234 61.343 1 T 7.355e+06 0.00e+00 a 0 0 0 0 4 61.594 70.090 1 T 9.809e+06 0.00e+00 a 0 0 0 0 5 61.592 70.047 1 T 9.770e+06 0.00e+00 a 0 0 0 0 6 62.713 68.974 1 T 6.471e+06 0.00e+00 a 0 0 0 0 7 63.442 70.176 1 T 7.006e+06 0.00e+00 a 0 0 0 0 8 70.217 63.003 1 T 8.922e+06 0.00e+00 a 0 0 0 0 9 60.190 70.737 1 T 7.679e+06 0.00e+00 a 0 0 0 0 11 28.476 26.454 1 T 1.825e+07 0.00e+00 a 0 0 0 0 12 26.574 28.614 1 T 1.443e+07 0.00e+00 a 0 0 0 0 14 28.495 36.698 1 T 5.521e+06 0.00e+00 a 0 0 0 0 15 28.403 35.968 1 T 1.149e+07 0.00e+00 a 0 0 0 0 16 26.728 35.851 1 T 1.685e+07 0.00e+00 a 0 0 0 0 17 36.165 28.380 1 T 1.200e+07 0.00e+00 a 0 0 0 0 22 35.819 26.705 1 T 1.672e+07 0.00e+00 a 0 0 0 0 23 37.572 44.570 1 T 8.825e+06 0.00e+00 a 0 0 0 0 24 44.031 35.819 1 T 1.206e+07 0.00e+00 a 0 0 0 0 25 44.505 37.317 1 T 7.925e+06 0.00e+00 a 0 0 0 0 27 46.180 37.399 1 T 7.460e+06 0.00e+00 a 0 0 0 0 28 46.132 38.842 1 T 6.986e+06 0.00e+00 a 0 0 0 0 29 46.234 36.017 1 T 4.252e+07 0.00e+00 a 0 0 0 0 32 47.209 36.320 1 T 1.058e+07 0.00e+00 a 0 0 0 0 33 37.003 50.950 1 T 9.819e+06 0.00e+00 a 0 0 0 0 34 40.675 52.355 1 T 9.201e+06 0.00e+00 a 0 0 0 0 35 51.130 36.540 1 T 8.288e+06 0.00e+00 a 0 0 0 0 36 51.065 36.951 1 T 9.967e+06 0.00e+00 a 0 0 0 0 37 50.984 35.350 1 T 2.185e+07 0.00e+00 a 0 0 0 0 38 50.587 33.146 1 T 5.680e+06 0.00e+00 a 0 0 0 0 39 50.003 34.492 1 T 1.212e+07 0.00e+00 a 0 0 0 0 40 54.625 36.038 1 T 2.873e+07 0.00e+00 a 0 0 0 0 41 55.807 36.103 1 T 8.239e+06 0.00e+00 a 0 0 0 0 42 55.310 34.794 1 T 7.888e+06 0.00e+00 a 0 0 0 0 45 50.900 48.178 1 T 1.235e+07 0.00e+00 a 0 0 0 0 46 50.891 48.211 1 T 1.235e+07 0.00e+00 a 0 0 0 0 47 51.880 45.483 1 T 2.981e+07 0.00e+00 a 0 0 0 0 48 50.855 45.620 1 T 1.201e+07 0.00e+00 a 0 0 0 0 49 51.241 47.037 1 T 3.400e+07 0.00e+00 a 0 0 0 0 50 51.562 46.621 1 T 3.181e+07 0.00e+00 a 0 0 0 0 51 52.161 47.034 1 T 2.659e+07 0.00e+00 a 0 0 0 0 52 54.572 49.380 1 T 8.858e+06 0.00e+00 a 0 0 0 0 53 55.124 50.962 1 T 9.681e+06 0.00e+00 a 0 0 0 0 54 62.586 58.543 1 T 8.796e+06 0.00e+00 a 0 0 0 0 55 62.580 58.437 1 T 9.157e+06 0.00e+00 a 0 0 0 0 56 45.263 32.336 1 T 8.481e+06 0.00e+00 a 0 0 0 0 57 45.260 32.257 1 T 8.474e+06 0.00e+00 a 0 0 0 0 58 48.744 23.384 1 T 9.520e+06 0.00e+00 a 0 0 0 0 59 50.454 22.366 1 T 8.268e+06 0.00e+00 a 0 0 0 0 60 51.176 23.875 1 T 8.458e+06 0.00e+00 a 0 0 0 0 61 49.474 24.392 1 T 6.627e+06 0.00e+00 a 0 0 0 0 62 49.701 25.770 1 T 6.623e+06 0.00e+00 a 0 0 0 0 63 46.507 24.130 1 T 6.416e+06 0.00e+00 a 0 0 0 0 64 44.491 22.628 1 T 5.854e+06 0.00e+00 a 0 0 0 0 65 52.470 24.083 1 T 7.119e+06 0.00e+00 a 0 0 0 0 66 57.298 23.552 1 T 9.494e+06 0.00e+00 a 0 0 0 0 67 57.048 24.272 1 T 8.991e+06 0.00e+00 a 0 0 0 0 68 56.268 23.819 1 T 1.062e+07 0.00e+00 a 0 0 0 0 69 52.248 28.847 1 T 2.817e+07 0.00e+00 a 0 0 0 0 70 53.229 26.815 1 T 1.060e+07 0.00e+00 a 0 0 0 0 71 51.914 27.213 1 T 2.958e+07 0.00e+00 a 0 0 0 0 72 55.794 26.834 1 T 8.589e+06 0.00e+00 a 0 0 0 0 73 55.782 26.776 1 T 8.585e+06 0.00e+00 a 0 0 0 0 74 54.604 27.682 1 T 2.735e+07 0.00e+00 a 0 0 0 0 75 54.287 28.642 1 T 1.610e+07 0.00e+00 a 0 0 0 0 76 58.141 28.043 1 T 2.584e+07 0.00e+00 a 0 0 0 0 77 58.149 27.992 1 T 2.591e+07 0.00e+00 a 0 0 0 0 79 57.046 28.234 1 T 6.149e+07 0.00e+00 a 0 0 0 0 81 56.139 28.545 1 T 2.307e+07 0.00e+00 a 0 0 0 0 82 60.784 28.478 1 T 1.132e+07 0.00e+00 a 0 0 0 0 83 59.586 28.383 1 T 1.439e+07 0.00e+00 a 0 0 0 0 86 62.818 28.827 1 T 6.682e+06 0.00e+00 a 0 0 0 0 87 62.836 28.700 1 T 6.462e+06 0.00e+00 a 0 0 0 0 88 62.389 27.511 1 T 1.242e+07 0.00e+00 a 0 0 0 0 89 62.390 25.857 1 T 5.292e+06 0.00e+00 a 0 0 0 0 90 63.254 26.698 1 T 5.872e+06 0.00e+00 a 0 0 0 0 91 61.404 26.655 1 T 1.378e+07 0.00e+00 a 0 0 0 0 92 60.916 27.151 1 T 6.214e+06 0.00e+00 a 0 0 0 0 93 55.817 43.282 1 T 1.570e+07 0.00e+00 a 0 0 0 0 94 54.530 42.024 1 T 8.998e+06 0.00e+00 a 0 0 0 0 95 55.179 42.678 1 T 7.311e+06 0.00e+00 a 0 0 0 0 96 56.618 42.486 1 T 1.056e+07 0.00e+00 a 0 0 0 0 97 57.770 42.914 1 T 9.486e+06 0.00e+00 a 0 0 0 0 98 58.238 40.533 1 T 7.264e+06 0.00e+00 a 0 0 0 0 99 62.203 42.317 1 T 6.474e+06 0.00e+00 a 0 0 0 0 101 62.344 41.853 1 T 6.482e+06 0.00e+00 a 0 0 0 0 104 62.466 45.023 1 T 1.112e+07 0.00e+00 a 0 0 0 0 105 62.687 46.230 1 T 7.752e+06 0.00e+00 a 0 0 0 0 106 61.103 47.510 1 T 1.143e+07 0.00e+00 a 0 0 0 0 107 61.243 46.990 1 T 8.605e+06 0.00e+00 a 0 0 0 0 108 59.374 48.045 1 T 6.524e+06 0.00e+00 a 0 0 0 0 109 59.367 48.008 1 T 6.555e+06 0.00e+00 a 0 0 0 0 110 59.683 46.153 1 T 4.704e+07 0.00e+00 a 0 0 0 0 111 59.567 44.383 1 T 6.332e+06 0.00e+00 a 0 0 0 0 112 59.111 43.461 1 T 6.841e+06 0.00e+00 a 0 0 0 0 113 58.015 36.935 1 T 1.875e+07 0.00e+00 a 0 0 0 0 114 57.904 35.876 1 T 1.684e+07 0.00e+00 a 0 0 0 0 115 57.261 37.114 1 T 1.823e+07 0.00e+00 a 0 0 0 0 116 56.912 35.896 1 T 2.122e+07 0.00e+00 a 0 0 0 0 117 58.858 34.830 1 T 9.321e+06 0.00e+00 a 0 0 0 0 118 59.048 33.768 1 T 7.650e+06 0.00e+00 a 0 0 0 0 119 56.349 33.285 1 T 1.023e+07 0.00e+00 a 0 0 0 0 120 57.742 33.183 1 T 8.060e+06 0.00e+00 a 0 0 0 0 121 53.503 40.104 1 T 6.869e+06 0.00e+00 a 0 0 0 0 122 54.099 40.477 1 T 6.142e+06 0.00e+00 a 0 0 0 0 123 51.828 41.855 1 T 6.371e+06 0.00e+00 a 0 0 0 0 124 52.812 42.907 1 T 7.253e+06 0.00e+00 a 0 0 0 0 126 52.410 43.275 1 T 6.682e+06 0.00e+00 a 0 0 0 0 127 52.419 57.973 1 T 1.833e+07 0.00e+00 a 0 0 0 0 128 52.381 59.978 1 T 3.442e+07 0.00e+00 a 0 0 0 0 129 52.208 56.934 1 T 7.305e+07 0.00e+00 a 0 0 0 0 130 51.376 58.320 1 T 3.467e+07 0.00e+00 a 0 0 0 0 131 51.168 59.222 1 T 1.078e+07 0.00e+00 a 0 0 0 0 132 51.043 59.750 1 T 1.407e+07 0.00e+00 a 0 0 0 0 133 50.386 56.921 1 T 1.952e+07 0.00e+00 a 0 0 0 0 134 49.894 56.120 1 T 3.053e+07 0.00e+00 a 0 0 0 0 135 52.299 55.296 1 T 6.858e+06 0.00e+00 a 0 0 0 0 136 59.821 51.010 1 T 1.605e+07 0.00e+00 a 0 0 0 0 137 58.358 51.287 1 T 3.436e+07 0.00e+00 a 0 0 0 0 138 57.005 52.138 1 T 7.735e+07 0.00e+00 a 0 0 0 0 139 60.080 52.279 1 T 2.933e+07 0.00e+00 a 0 0 0 0 140 61.429 50.861 1 T 1.285e+07 0.00e+00 a 0 0 0 0 141 51.036 61.272 1 T 8.292e+06 0.00e+00 a 0 0 0 0 142 49.260 62.170 1 T 7.693e+06 0.00e+00 a 0 0 0 0 143 50.999 63.068 1 T 2.705e+07 0.00e+00 a 0 0 0 0 144 62.418 56.920 1 T 9.852e+06 0.00e+00 a 0 0 0 0 145 61.417 58.826 1 T 8.889e+06 0.00e+00 a 0 0 0 0 148 61.233 57.790 1 T 2.165e+07 0.00e+00 a 0 0 0 0 149 61.195 56.715 1 T 2.176e+07 0.00e+00 a 0 0 0 0 153 61.032 54.504 1 T 2.058e+07 0.00e+00 a 0 0 0 0 154 61.293 55.495 1 T 9.746e+06 0.00e+00 a 0 0 0 0 155 56.775 61.250 1 T 2.015e+07 0.00e+00 a 0 0 0 0 156 56.482 59.580 1 T 1.955e+07 0.00e+00 a 0 0 0 0 158 55.613 61.262 1 T 1.090e+07 0.00e+00 a 0 0 0 0 160 54.639 60.928 1 T 2.078e+07 0.00e+00 a 0 0 0 0 161 58.791 62.502 1 T 1.047e+07 0.00e+00 a 0 0 0 0 162 54.957 64.511 1 T 7.935e+06 0.00e+00 a 0 0 0 0 163 55.714 63.139 1 T 7.984e+06 0.00e+00 a 0 0 0 0 164 63.551 55.139 1 T 9.495e+06 0.00e+00 a 0 0 0 0 165 63.302 52.314 1 T 8.180e+06 0.00e+00 a 0 0 0 0 166 63.100 50.945 1 T 2.329e+07 0.00e+00 a 0 0 0 0 167 63.082 49.835 1 T 1.293e+07 0.00e+00 a 0 0 0 0 168 54.070 62.467 1 T 8.918e+06 0.00e+00 a 0 0 0 0 169 53.678 64.374 1 T 6.727e+06 0.00e+00 a 0 0 0 0 170 65.061 53.287 1 T 6.334e+06 0.00e+00 a 0 0 0 0 171 63.238 61.397 1 T 8.993e+06 0.00e+00 a 0 0 0 0 172 58.407 46.025 1 T 2.690e+07 0.00e+00 a 0 0 0 0 173 58.077 44.881 1 T 3.536e+07 0.00e+00 a 0 0 0 0 174 57.185 47.919 1 T 1.882e+07 0.00e+00 a 0 0 0 0 175 57.182 47.879 1 T 1.881e+07 0.00e+00 a 0 0 0 0 176 56.994 46.068 1 T 6.574e+07 0.00e+00 a 0 0 0 0 177 56.827 44.517 1 T 3.072e+07 0.00e+00 a 0 0 0 0 178 55.758 47.413 1 T 1.607e+07 0.00e+00 a 0 0 0 0 179 55.728 47.483 1 T 1.629e+07 0.00e+00 a 0 0 0 0 180 55.543 43.915 1 T 1.322e+07 0.00e+00 a 0 0 0 0 181 54.991 45.703 1 T 3.505e+07 0.00e+00 a 0 0 0 0 182 54.420 46.794 1 T 1.916e+07 0.00e+00 a 0 0 0 0 183 54.037 45.331 1 T 1.232e+07 0.00e+00 a 0 0 0 0 184 61.299 44.082 1 T 1.060e+07 0.00e+00 a 0 0 0 0 185 61.342 43.674 1 T 9.321e+06 0.00e+00 a 0 0 0 0 187 48.056 56.938 1 T 1.554e+07 0.00e+00 a 0 0 0 0 188 48.029 59.967 1 T 1.097e+07 0.00e+00 a 0 0 0 0 189 47.892 54.739 1 T 1.096e+07 0.00e+00 a 0 0 0 0 191 47.732 55.459 1 T 1.352e+07 0.00e+00 a 0 0 0 0 193 47.649 61.049 1 T 8.960e+06 0.00e+00 a 0 0 0 0 194 47.245 58.808 1 T 8.151e+06 0.00e+00 a 0 0 0 0 197 47.173 61.604 1 T 5.406e+06 0.00e+00 a 0 0 0 0 198 46.946 52.094 1 T 3.030e+07 0.00e+00 a 0 0 0 0 199 46.860 57.029 1 T 5.157e+07 0.00e+00 a 0 0 0 0 200 46.876 54.299 1 T 1.520e+07 0.00e+00 a 0 0 0 0 202 46.789 51.491 1 T 3.276e+07 0.00e+00 a 0 0 0 0 203 46.196 59.628 1 T 5.893e+07 0.00e+00 a 0 0 0 0 204 46.124 58.359 1 T 3.224e+07 0.00e+00 a 0 0 0 0 205 46.050 56.911 1 T 6.643e+07 0.00e+00 a 0 0 0 0 206 45.726 54.935 1 T 3.550e+07 0.00e+00 a 0 0 0 0 207 45.546 51.848 1 T 2.578e+07 0.00e+00 a 0 0 0 0 208 44.644 60.457 1 T 9.488e+06 0.00e+00 a 0 0 0 0 209 44.656 58.027 1 T 2.997e+07 0.00e+00 a 0 0 0 0 210 44.587 56.743 1 T 3.998e+07 0.00e+00 a 0 0 0 0 211 44.155 62.593 1 T 7.425e+06 0.00e+00 a 0 0 0 0 212 44.135 61.290 1 T 1.162e+07 0.00e+00 a 0 0 0 0 213 44.031 61.645 1 T 9.995e+06 0.00e+00 a 0 0 0 0 214 43.658 59.331 1 T 5.793e+06 0.00e+00 a 0 0 0 0 215 43.650 55.041 1 T 6.976e+06 0.00e+00 a 0 0 0 0 217 43.490 55.798 1 T 6.298e+06 0.00e+00 a 0 0 0 0 220 42.989 56.779 1 T 9.739e+06 0.00e+00 a 0 0 0 0 221 42.854 59.375 1 T 5.910e+06 0.00e+00 a 0 0 0 0 222 42.683 61.083 1 T 6.402e+06 0.00e+00 a 0 0 0 0 223 42.621 56.332 1 T 1.086e+07 0.00e+00 a 0 0 0 0 224 42.390 54.549 1 T 7.030e+06 0.00e+00 a 0 0 0 0 225 42.411 54.500 1 T 7.070e+06 0.00e+00 a 0 0 0 0 226 42.283 59.828 1 T 9.717e+06 0.00e+00 a 0 0 0 0 227 42.296 51.470 1 T 5.547e+06 0.00e+00 a 0 0 0 0 229 52.543 39.416 1 T 7.012e+06 0.00e+00 a 0 0 0 0 230 52.397 40.518 1 T 8.552e+06 0.00e+00 a 0 0 0 0 232 36.082 46.148 1 T 3.385e+07 0.00e+00 a 0 0 0 0 233 36.063 44.586 1 T 8.299e+06 0.00e+00 a 0 0 0 0 234 35.706 44.068 1 T 8.458e+06 0.00e+00 a 0 0 0 0 235 35.405 50.958 1 T 1.848e+07 0.00e+00 a 0 0 0 0 236 35.245 47.463 1 T 6.678e+06 0.00e+00 a 0 0 0 0 237 35.185 47.331 1 T 6.939e+06 0.00e+00 a 0 0 0 0 238 34.651 49.935 1 T 9.655e+06 0.00e+00 a 0 0 0 0 239 34.038 45.760 1 T 7.438e+06 0.00e+00 a 0 0 0 0 240 32.727 48.176 1 T 7.103e+06 0.00e+00 a 0 0 0 0 241 45.684 33.286 1 T 5.948e+06 0.00e+00 a 0 0 0 0 242 49.854 19.415 1 T 7.469e+06 0.00e+00 a 0 0 0 0 243 21.828 40.474 1 T 6.192e+06 0.00e+00 a 0 0 0 0 244 21.437 42.556 1 T 6.080e+06 0.00e+00 a 0 0 0 0 245 22.681 46.367 1 T 6.762e+06 0.00e+00 a 0 0 0 0 246 33.494 54.931 1 T 7.986e+06 0.00e+00 a 0 0 0 0 247 33.397 57.467 1 T 6.787e+06 0.00e+00 a 0 0 0 0 248 33.243 56.792 1 T 8.690e+06 0.00e+00 a 0 0 0 0 249 37.177 57.291 1 T 2.050e+07 0.00e+00 a 0 0 0 0 250 36.081 54.547 1 T 2.208e+07 0.00e+00 a 0 0 0 0 251 36.078 54.515 1 T 2.205e+07 0.00e+00 a 0 0 0 0 252 35.966 57.481 1 T 2.448e+07 0.00e+00 a 0 0 0 0 253 35.968 57.275 1 T 2.428e+07 0.00e+00 a 0 0 0 0 254 36.006 55.864 1 T 9.808e+06 0.00e+00 a 0 0 0 0 255 27.845 62.461 1 T 1.089e+07 0.00e+00 a 0 0 0 0 256 26.797 62.655 1 T 7.773e+06 0.00e+00 a 0 0 0 0 257 26.650 61.278 1 T 1.669e+07 0.00e+00 a 0 0 0 0 258 28.434 55.755 1 T 2.154e+07 0.00e+00 a 0 0 0 0 259 28.392 55.281 1 T 2.034e+07 0.00e+00 a 0 0 0 0 260 28.392 55.231 1 T 2.034e+07 0.00e+00 a 0 0 0 0 261 28.275 56.985 1 T 4.929e+07 0.00e+00 a 0 0 0 0 262 27.673 54.545 1 T 2.309e+07 0.00e+00 a 0 0 0 0 263 27.677 54.508 1 T 2.312e+07 0.00e+00 a 0 0 0 0 264 27.388 55.803 1 T 8.996e+06 0.00e+00 a 0 0 0 0 266 28.688 54.245 1 T 1.204e+07 0.00e+00 a 0 0 0 0 267 28.867 52.130 1 T 2.568e+07 0.00e+00 a 0 0 0 0 268 28.693 51.079 1 T 9.302e+06 0.00e+00 a 0 0 0 0 269 27.711 50.658 1 T 8.960e+06 0.00e+00 a 0 0 0 0 270 27.274 51.978 1 T 2.599e+07 0.00e+00 a 0 0 0 0 271 26.760 47.525 1 T 1.938e+07 0.00e+00 a 0 0 0 0 272 47.598 26.779 1 T 2.294e+07 0.00e+00 a 0 0 0 0 273 57.966 47.231 1 T 1.550e+07 0.00e+00 a 0 0 0 0 274 32.244 19.462 1 T 6.895e+06 0.00e+00 a 0 0 0 0 275 37.935 23.023 1 T 6.749e+06 0.00e+00 a 0 0 0 0 277 59.360 21.581 1 T 9.684e+06 0.00e+00 a 0 0 0 0 278 49.756 71.540 1 T 9.068e+06 0.00e+00 a 0 0 0 0 279 48.148 70.646 1 T 7.735e+06 0.00e+00 a 0 0 0 0 280 44.684 71.029 1 T 6.895e+06 0.00e+00 a 0 0 0 0 281 49.102 67.949 1 T 6.976e+06 0.00e+00 a 0 0 0 0 282 56.186 49.827 1 T 2.940e+07 0.00e+00 a 0 0 0 0 284 59.718 56.168 1 T 1.811e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 9 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 9 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_10 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 10 _Spectral_peak_list.Sample_ID 5 _Spectral_peak_list.Sample_label $sample_5 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 400ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 62.571 58.842 1 T 2.372e+07 0.00e+00 a 0 0 0 0 2 59.088 62.350 1 T 2.164e+07 0.00e+00 a 0 0 0 0 3 59.527 64.517 1 T 1.701e+07 0.00e+00 a 0 0 0 0 4 64.500 59.449 1 T 1.466e+07 0.00e+00 a 0 0 0 0 5 56.253 60.146 1 T 3.200e+07 0.00e+00 a 0 0 0 0 6 60.055 56.065 1 T 2.197e+07 0.00e+00 a 0 0 0 0 7 57.870 56.079 1 T 3.397e+07 0.00e+00 a 0 0 0 0 8 54.826 58.983 1 T 2.705e+07 0.00e+00 a 0 0 0 0 9 59.027 55.005 1 T 2.615e+07 0.00e+00 a 0 0 0 0 10 59.010 54.960 1 T 2.614e+07 0.00e+00 a 0 0 0 0 11 53.856 59.870 1 T 1.651e+07 0.00e+00 a 0 0 0 0 12 52.366 60.196 1 T 2.211e+07 0.00e+00 a 0 0 0 0 13 47.975 60.130 1 T 2.533e+07 0.00e+00 a 0 0 0 0 14 49.443 58.891 1 T 4.218e+07 0.00e+00 a 0 0 0 0 15 51.224 59.305 1 T 4.265e+07 0.00e+00 a 0 0 0 0 16 51.430 56.870 1 T 3.463e+07 0.00e+00 a 0 0 0 0 17 50.389 56.995 1 T 4.226e+07 0.00e+00 a 0 0 0 0 18 50.497 55.294 1 T 2.230e+07 0.00e+00 a 0 0 0 0 19 52.412 54.544 1 T 3.046e+07 0.00e+00 a 0 0 0 0 20 52.354 54.504 1 T 3.044e+07 0.00e+00 a 0 0 0 0 21 49.445 52.369 1 T 2.495e+07 0.00e+00 a 0 0 0 0 22 52.304 49.362 1 T 2.805e+07 0.00e+00 a 0 0 0 0 23 52.302 49.302 1 T 2.754e+07 0.00e+00 a 0 0 0 0 24 53.244 51.041 1 T 2.610e+07 0.00e+00 a 0 0 0 0 25 55.225 50.991 1 T 2.894e+07 0.00e+00 a 0 0 0 0 26 57.025 50.420 1 T 4.947e+07 0.00e+00 a 0 0 0 0 27 56.854 51.436 1 T 3.715e+07 0.00e+00 a 0 0 0 0 28 57.957 52.702 1 T 3.812e+07 0.00e+00 a 0 0 0 0 29 56.899 54.238 1 T 4.474e+07 0.00e+00 a 0 0 0 0 30 54.331 56.477 1 T 4.471e+07 0.00e+00 a 0 0 0 0 31 54.316 56.532 1 T 4.492e+07 0.00e+00 a 0 0 0 0 32 52.698 57.975 1 T 5.195e+07 0.00e+00 a 0 0 0 0 33 52.678 57.922 1 T 5.192e+07 0.00e+00 a 0 0 0 0 34 62.142 44.681 1 T 2.761e+07 0.00e+00 a 0 0 0 0 35 62.140 44.633 1 T 2.754e+07 0.00e+00 a 0 0 0 0 36 63.635 45.444 1 T 2.888e+07 0.00e+00 a 0 0 0 0 37 62.901 46.066 1 T 2.052e+07 0.00e+00 a 0 0 0 0 38 62.882 46.012 1 T 2.048e+07 0.00e+00 a 0 0 0 0 41 46.043 62.957 1 T 3.114e+07 0.00e+00 a 0 0 0 0 42 45.315 63.541 1 T 3.668e+07 0.00e+00 a 0 0 0 0 43 48.012 70.716 1 T 3.172e+07 0.00e+00 a 0 0 0 0 44 46.228 69.778 1 T 2.613e+07 0.00e+00 a 0 0 0 0 45 44.591 71.271 1 T 2.485e+07 0.00e+00 a 0 0 0 0 46 44.743 62.182 1 T 3.191e+07 0.00e+00 a 0 0 0 0 47 45.124 61.487 1 T 1.587e+07 0.00e+00 a 0 0 0 0 48 45.637 60.132 1 T 1.829e+07 0.00e+00 a 0 0 0 0 49 60.130 48.044 1 T 2.207e+07 0.00e+00 a 0 0 0 0 50 60.161 45.635 1 T 1.664e+07 0.00e+00 a 0 0 0 0 51 58.912 49.474 1 T 5.253e+07 0.00e+00 a 0 0 0 0 52 59.304 51.134 1 T 4.395e+07 0.00e+00 a 0 0 0 0 53 59.228 52.604 1 T 2.114e+07 0.00e+00 a 0 0 0 0 54 56.862 53.124 1 T 2.558e+07 0.00e+00 a 0 0 0 0 55 51.257 53.338 1 T 5.765e+07 0.00e+00 a 0 0 0 0 56 44.657 22.653 1 T 3.660e+07 0.00e+00 a 0 0 0 0 57 46.515 22.645 1 T 1.841e+07 0.00e+00 a 0 0 0 0 58 48.214 20.552 1 T 1.927e+07 0.00e+00 a 0 0 0 0 59 50.018 19.474 1 T 2.042e+07 0.00e+00 a 0 0 0 0 60 52.371 22.299 1 T 1.885e+07 0.00e+00 a 0 0 0 0 61 51.192 23.914 1 T 4.996e+07 0.00e+00 a 0 0 0 0 62 49.691 23.933 1 T 2.905e+07 0.00e+00 a 0 0 0 0 63 55.651 23.801 1 T 1.674e+07 0.00e+00 a 0 0 0 0 64 58.575 37.955 1 T 1.872e+07 0.00e+00 a 0 0 0 0 66 58.843 33.425 1 T 3.460e+07 0.00e+00 a 0 0 0 0 67 56.733 31.323 1 T 2.142e+07 0.00e+00 a 0 0 0 0 68 56.737 31.276 1 T 2.146e+07 0.00e+00 a 0 0 0 0 69 56.445 39.103 1 T 1.494e+07 0.00e+00 a 0 0 0 0 70 58.301 39.417 1 T 1.534e+07 0.00e+00 a 0 0 0 0 71 58.282 41.295 1 T 1.462e+07 0.00e+00 a 0 0 0 0 73 54.676 47.602 1 T 3.445e+07 0.00e+00 a 0 0 0 0 74 53.868 46.832 1 T 2.174e+07 0.00e+00 a 0 0 0 0 75 54.958 45.768 1 T 2.595e+07 0.00e+00 a 0 0 0 0 76 53.546 45.249 1 T 3.817e+07 0.00e+00 a 0 0 0 0 77 55.487 46.616 1 T 2.280e+07 0.00e+00 a 0 0 0 0 78 56.301 45.951 1 T 2.415e+07 0.00e+00 a 0 0 0 0 79 57.404 46.134 1 T 3.430e+07 0.00e+00 a 0 0 0 0 80 57.421 44.512 1 T 4.578e+07 0.00e+00 a 0 0 0 0 81 51.350 42.616 1 T 2.941e+07 0.00e+00 a 0 0 0 0 82 51.942 42.699 1 T 2.423e+07 0.00e+00 a 0 0 0 0 83 52.156 46.081 1 T 7.418e+07 0.00e+00 a 0 0 0 0 85 51.322 46.955 1 T 7.803e+07 0.00e+00 a 0 0 0 0 86 51.298 47.000 1 T 7.796e+07 0.00e+00 a 0 0 0 0 87 51.122 45.440 1 T 1.299e+08 0.00e+00 a 0 0 0 0 88 47.565 54.684 1 T 4.224e+07 0.00e+00 a 0 0 0 0 90 47.198 53.527 1 T 1.886e+07 0.00e+00 a 0 0 0 0 91 46.592 53.923 1 T 1.898e+07 0.00e+00 a 0 0 0 0 92 45.386 32.435 1 T 3.584e+07 0.00e+00 a 0 0 0 0 93 46.035 32.625 1 T 2.686e+07 0.00e+00 a 0 0 0 0 94 45.297 33.551 1 T 1.528e+07 0.00e+00 a 0 0 0 0 96 34.062 29.178 1 T 2.148e+07 0.00e+00 a 0 0 0 0 97 28.940 33.784 1 T 2.063e+07 0.00e+00 a 0 0 0 0 98 28.922 33.700 1 T 2.073e+07 0.00e+00 a 0 0 0 0 99 28.194 33.177 1 T 2.410e+07 0.00e+00 a 0 0 0 0 100 23.984 33.047 1 T 1.977e+07 0.00e+00 a 0 0 0 0 101 33.614 23.498 1 T 1.436e+07 0.00e+00 a 0 0 0 0 103 22.697 46.464 1 T 1.566e+07 0.00e+00 a 0 0 0 0 104 22.693 46.397 1 T 1.555e+07 0.00e+00 a 0 0 0 0 105 22.760 44.614 1 T 3.049e+07 0.00e+00 a 0 0 0 0 106 32.542 46.205 1 T 2.726e+07 0.00e+00 a 0 0 0 0 107 32.329 45.364 1 T 2.631e+07 0.00e+00 a 0 0 0 0 108 33.744 45.475 1 T 1.791e+07 0.00e+00 a 0 0 0 0 111 35.745 46.936 1 T 1.878e+07 0.00e+00 a 0 0 0 0 112 35.703 46.842 1 T 1.902e+07 0.00e+00 a 0 0 0 0 113 39.863 51.181 1 T 2.035e+07 0.00e+00 a 0 0 0 0 114 39.307 52.610 1 T 1.737e+07 0.00e+00 a 0 0 0 0 115 52.904 40.372 1 T 1.521e+07 0.00e+00 a 0 0 0 0 116 55.589 37.456 1 T 1.820e+07 0.00e+00 a 0 0 0 0 117 33.491 58.877 1 T 3.981e+07 0.00e+00 a 0 0 0 0 118 31.273 56.636 1 T 1.830e+07 0.00e+00 a 0 0 0 0 119 31.061 56.932 1 T 1.901e+07 0.00e+00 a 0 0 0 0 120 38.622 56.234 1 T 1.894e+07 0.00e+00 a 0 0 0 0 121 38.613 56.181 1 T 1.861e+07 0.00e+00 a 0 0 0 0 122 37.079 56.774 1 T 1.852e+07 0.00e+00 a 0 0 0 0 123 38.110 55.367 1 T 1.547e+07 0.00e+00 a 0 0 0 0 124 42.346 55.331 1 T 1.722e+07 0.00e+00 a 0 0 0 0 125 44.528 57.389 1 T 6.932e+07 0.00e+00 a 0 0 0 0 126 45.966 56.567 1 T 2.483e+07 0.00e+00 a 0 0 0 0 127 46.069 54.937 1 T 3.294e+07 0.00e+00 a 0 0 0 0 128 45.352 53.693 1 T 4.128e+07 0.00e+00 a 0 0 0 0 129 46.631 51.554 1 T 7.983e+07 0.00e+00 a 0 0 0 0 130 45.483 51.106 1 T 1.387e+08 0.00e+00 a 0 0 0 0 131 42.640 45.512 1 T 3.846e+07 0.00e+00 a 0 0 0 0 132 45.846 42.625 1 T 4.554e+07 0.00e+00 a 0 0 0 0 133 23.914 49.744 1 T 2.670e+07 0.00e+00 a 0 0 0 0 134 23.928 51.080 1 T 3.220e+07 0.00e+00 a 0 0 0 0 136 19.429 51.289 1 T 2.631e+07 0.00e+00 a 0 0 0 0 137 63.053 53.404 1 T 1.703e+07 0.00e+00 a 0 0 0 0 138 53.355 63.599 1 T 1.571e+07 0.00e+00 a 0 0 0 0 139 71.214 44.529 1 T 1.464e+07 0.00e+00 a 0 0 0 0 140 69.832 46.082 1 T 2.319e+07 0.00e+00 a 0 0 0 0 141 70.889 47.875 1 T 1.615e+07 0.00e+00 a 0 0 0 0 142 71.341 49.938 1 T 1.448e+07 0.00e+00 a 0 0 0 0 143 71.379 51.158 1 T 1.654e+07 0.00e+00 a 0 0 0 0 144 51.148 71.461 1 T 1.726e+07 0.00e+00 a 0 0 0 0 145 52.262 73.500 1 T 1.813e+07 0.00e+00 a 0 0 0 0 146 28.449 64.534 1 T 1.518e+07 0.00e+00 a 0 0 0 0 147 64.104 28.764 1 T 1.515e+07 0.00e+00 a 0 0 0 0 148 69.084 22.671 1 T 2.076e+07 0.00e+00 a 0 0 0 0 149 22.894 69.356 1 T 1.789e+07 0.00e+00 a 0 0 0 0 150 21.965 57.988 1 T 1.551e+07 0.00e+00 a 0 0 0 0 151 21.955 57.925 1 T 1.521e+07 0.00e+00 a 0 0 0 0 152 23.494 58.122 1 T 1.604e+07 0.00e+00 a 0 0 0 0 153 25.234 51.122 1 T 1.535e+07 0.00e+00 a 0 0 0 0 154 59.969 36.973 1 T 1.281e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 10 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 10 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_11 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_11 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 11 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 400ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 62.438 59.259 1 T 4.600e+07 0.00e+00 a 0 0 0 0 2 64.835 61.953 1 T 4.137e+07 0.00e+00 a 0 0 0 0 3 65.834 62.908 1 T 2.680e+07 0.00e+00 a 0 0 0 0 4 67.443 62.503 1 T 2.263e+07 0.00e+00 a 0 0 0 0 5 62.962 65.723 1 T 3.385e+07 0.00e+00 a 0 0 0 0 6 67.860 59.792 1 T 1.908e+07 0.00e+00 a 0 0 0 0 7 67.597 54.328 1 T 6.034e+07 0.00e+00 a 0 0 0 0 8 72.426 58.236 1 T 3.121e+07 0.00e+00 a 0 0 0 0 9 71.496 58.153 1 T 2.642e+07 0.00e+00 a 0 0 0 0 11 71.522 56.918 1 T 2.561e+07 0.00e+00 a 0 0 0 0 12 73.629 56.376 1 T 1.889e+07 0.00e+00 a 0 0 0 0 13 72.582 54.936 1 T 2.702e+07 0.00e+00 a 0 0 0 0 14 72.370 54.211 1 T 1.877e+07 0.00e+00 a 0 0 0 0 15 70.188 53.886 1 T 5.095e+07 0.00e+00 a 0 0 0 0 16 70.235 52.736 1 T 2.161e+07 0.00e+00 a 0 0 0 0 17 65.787 55.640 1 T 3.518e+07 0.00e+00 a 0 0 0 0 18 66.330 54.226 1 T 2.265e+07 0.00e+00 a 0 0 0 0 19 54.330 67.487 1 T 3.546e+07 0.00e+00 a 0 0 0 0 20 56.348 60.056 1 T 7.369e+07 0.00e+00 a 0 0 0 0 21 60.143 56.272 1 T 7.930e+07 0.00e+00 a 0 0 0 0 22 54.043 62.908 1 T 3.461e+07 0.00e+00 a 0 0 0 0 23 70.982 56.092 1 T 1.970e+07 0.00e+00 a 0 0 0 0 24 70.193 56.155 1 T 5.266e+07 0.00e+00 a 0 0 0 0 25 69.280 55.608 1 T 1.839e+07 0.00e+00 a 0 0 0 0 26 55.792 69.132 1 T 2.522e+07 0.00e+00 a 0 0 0 0 27 56.293 70.080 1 T 3.872e+07 0.00e+00 a 0 0 0 0 28 56.433 70.938 1 T 2.356e+07 0.00e+00 a 0 0 0 0 29 56.971 71.298 1 T 2.638e+07 0.00e+00 a 0 0 0 0 30 58.423 72.383 1 T 2.013e+07 0.00e+00 a 0 0 0 0 31 54.929 72.580 1 T 2.756e+07 0.00e+00 a 0 0 0 0 32 53.412 72.259 1 T 2.193e+07 0.00e+00 a 0 0 0 0 33 54.059 70.129 1 T 2.060e+07 0.00e+00 a 0 0 0 0 34 71.318 44.400 1 T 2.115e+07 0.00e+00 a 0 0 0 0 35 72.207 41.165 1 T 2.385e+07 0.00e+00 a 0 0 0 0 36 71.519 41.759 1 T 1.552e+07 0.00e+00 a 0 0 0 0 37 73.652 42.609 1 T 2.170e+07 0.00e+00 a 0 0 0 0 38 73.426 39.698 1 T 1.656e+07 0.00e+00 a 0 0 0 0 39 69.535 39.843 1 T 1.642e+07 0.00e+00 a 0 0 0 0 40 66.622 44.950 1 T 1.596e+07 0.00e+00 a 0 0 0 0 41 66.349 44.161 1 T 1.987e+07 0.00e+00 a 0 0 0 0 42 65.845 44.717 1 T 1.911e+07 0.00e+00 a 0 0 0 0 43 63.437 44.860 1 T 1.946e+07 0.00e+00 a 0 0 0 0 44 62.879 45.100 1 T 1.841e+07 0.00e+00 a 0 0 0 0 45 62.378 41.936 1 T 2.793e+07 0.00e+00 a 0 0 0 0 46 62.573 37.913 1 T 2.004e+07 0.00e+00 a 0 0 0 0 47 64.715 37.046 1 T 2.375e+07 0.00e+00 a 0 0 0 0 48 65.831 37.488 1 T 2.431e+07 0.00e+00 a 0 0 0 0 49 67.644 35.138 1 T 2.089e+07 0.00e+00 a 0 0 0 0 50 67.600 36.239 1 T 2.078e+07 0.00e+00 a 0 0 0 0 51 67.446 32.667 1 T 2.291e+07 0.00e+00 a 0 0 0 0 52 67.387 33.356 1 T 1.772e+07 0.00e+00 a 0 0 0 0 53 71.470 33.174 1 T 4.039e+07 0.00e+00 a 0 0 0 0 54 71.484 32.416 1 T 1.843e+07 0.00e+00 a 0 0 0 0 55 70.238 36.955 1 T 5.736e+07 0.00e+00 a 0 0 0 0 56 69.224 37.459 1 T 1.832e+07 0.00e+00 a 0 0 0 0 57 70.200 36.542 1 T 3.947e+07 0.00e+00 a 0 0 0 0 58 71.482 28.178 1 T 5.836e+07 0.00e+00 a 0 0 0 0 59 70.869 31.230 1 T 2.774e+07 0.00e+00 a 0 0 0 0 60 70.306 29.904 1 T 2.372e+07 0.00e+00 a 0 0 0 0 61 70.245 30.966 1 T 1.649e+07 0.00e+00 a 0 0 0 0 63 67.705 24.618 1 T 3.308e+07 0.00e+00 a 0 0 0 0 64 67.656 27.042 1 T 1.573e+07 0.00e+00 a 0 0 0 0 65 59.509 33.121 1 T 2.659e+07 0.00e+00 a 0 0 0 0 66 60.096 31.257 1 T 2.025e+07 0.00e+00 a 0 0 0 0 67 57.452 24.252 1 T 2.268e+07 0.00e+00 a 0 0 0 0 68 56.328 20.704 1 T 1.881e+07 0.00e+00 a 0 0 0 0 69 53.967 19.163 1 T 2.348e+07 0.00e+00 a 0 0 0 0 70 56.832 18.294 1 T 2.183e+07 0.00e+00 a 0 0 0 0 71 55.111 16.969 1 T 3.088e+07 0.00e+00 a 0 0 0 0 72 57.298 17.211 1 T 2.427e+07 0.00e+00 a 0 0 0 0 73 56.850 14.285 1 T 2.162e+07 0.00e+00 a 0 0 0 0 74 50.147 15.381 1 T 1.795e+07 0.00e+00 a 0 0 0 0 75 69.955 14.445 1 T 3.262e+07 0.00e+00 a 0 0 0 0 76 62.529 56.872 1 T 2.976e+07 0.00e+00 a 0 0 0 0 77 62.781 58.317 1 T 2.700e+07 0.00e+00 a 0 0 0 0 78 59.408 62.325 1 T 2.722e+07 0.00e+00 a 0 0 0 0 79 62.474 55.733 1 T 2.372e+07 0.00e+00 a 0 0 0 0 80 62.469 54.871 1 T 2.342e+07 0.00e+00 a 0 0 0 0 81 63.614 55.417 1 T 1.849e+07 0.00e+00 a 0 0 0 0 82 64.630 55.145 1 T 2.685e+07 0.00e+00 a 0 0 0 0 83 64.376 54.740 1 T 2.829e+07 0.00e+00 a 0 0 0 0 84 62.908 54.021 1 T 4.116e+07 0.00e+00 a 0 0 0 0 85 63.643 53.954 1 T 3.218e+07 0.00e+00 a 0 0 0 0 86 63.542 53.260 1 T 2.968e+07 0.00e+00 a 0 0 0 0 87 64.686 52.679 1 T 1.920e+07 0.00e+00 a 0 0 0 0 88 62.402 52.268 1 T 4.404e+07 0.00e+00 a 0 0 0 0 89 59.453 52.749 1 T 4.109e+07 0.00e+00 a 0 0 0 0 90 60.258 51.132 1 T 2.738e+07 0.00e+00 a 0 0 0 0 91 60.078 53.878 1 T 4.145e+07 0.00e+00 a 0 0 0 0 92 59.653 55.293 1 T 1.868e+07 0.00e+00 a 0 0 0 0 93 53.959 59.979 1 T 2.800e+07 0.00e+00 a 0 0 0 0 96 58.113 52.782 1 T 3.979e+07 0.00e+00 a 0 0 0 0 97 52.637 57.980 1 T 3.111e+07 0.00e+00 a 0 0 0 0 98 52.813 59.380 1 T 4.188e+07 0.00e+00 a 0 0 0 0 99 58.235 53.787 1 T 3.718e+07 0.00e+00 a 0 0 0 0 100 53.521 57.681 1 T 2.087e+07 0.00e+00 a 0 0 0 0 101 53.857 58.352 1 T 1.663e+07 0.00e+00 a 0 0 0 0 104 52.439 62.380 1 T 2.483e+07 0.00e+00 a 0 0 0 0 106 51.232 60.131 1 T 1.833e+07 0.00e+00 a 0 0 0 0 107 53.300 63.500 1 T 1.892e+07 0.00e+00 a 0 0 0 0 108 54.121 63.479 1 T 2.741e+07 0.00e+00 a 0 0 0 0 109 55.455 63.560 1 T 2.208e+07 0.00e+00 a 0 0 0 0 110 55.027 62.580 1 T 2.462e+07 0.00e+00 a 0 0 0 0 111 55.704 65.674 1 T 2.187e+07 0.00e+00 a 0 0 0 0 112 59.479 39.127 1 T 2.697e+07 0.00e+00 a 0 0 0 0 113 60.147 36.954 1 T 5.303e+07 0.00e+00 a 0 0 0 0 114 60.046 36.367 1 T 5.117e+07 0.00e+00 a 0 0 0 0 115 60.849 36.112 1 T 1.803e+07 0.00e+00 a 0 0 0 0 117 61.361 35.979 1 T 1.987e+07 0.00e+00 a 0 0 0 0 118 62.444 35.541 1 T 1.971e+07 0.00e+00 a 0 0 0 0 119 58.332 27.156 1 T 1.952e+07 0.00e+00 a 0 0 0 0 120 58.203 26.321 1 T 3.665e+07 0.00e+00 a 0 0 0 0 121 57.586 29.439 1 T 2.634e+07 0.00e+00 a 0 0 0 0 122 56.027 23.978 1 T 2.810e+07 0.00e+00 a 0 0 0 0 123 55.289 24.504 1 T 2.515e+07 0.00e+00 a 0 0 0 0 124 55.057 24.083 1 T 2.839e+07 0.00e+00 a 0 0 0 0 125 54.356 23.896 1 T 2.395e+07 0.00e+00 a 0 0 0 0 126 53.288 23.894 1 T 4.624e+07 0.00e+00 a 0 0 0 0 127 52.632 29.821 1 T 3.134e+07 0.00e+00 a 0 0 0 0 128 52.343 28.754 1 T 3.488e+07 0.00e+00 a 0 0 0 0 129 52.420 27.342 1 T 2.108e+07 0.00e+00 a 0 0 0 0 131 52.437 35.928 1 T 2.897e+07 0.00e+00 a 0 0 0 0 132 52.509 34.974 1 T 2.539e+07 0.00e+00 a 0 0 0 0 133 52.502 33.984 1 T 4.099e+07 0.00e+00 a 0 0 0 0 134 51.748 40.682 1 T 2.114e+07 0.00e+00 a 0 0 0 0 135 51.649 39.525 1 T 2.237e+07 0.00e+00 a 0 0 0 0 136 52.616 37.093 1 T 3.300e+07 0.00e+00 a 0 0 0 0 137 52.465 37.365 1 T 3.602e+07 0.00e+00 a 0 0 0 0 138 54.358 46.670 1 T 2.589e+07 0.00e+00 a 0 0 0 0 139 54.692 46.041 1 T 2.569e+07 0.00e+00 a 0 0 0 0 140 56.747 44.933 1 T 1.759e+07 0.00e+00 a 0 0 0 0 141 42.774 24.117 1 T 4.346e+07 0.00e+00 a 0 0 0 0 142 39.780 24.070 1 T 2.723e+07 0.00e+00 a 0 0 0 0 143 39.020 24.190 1 T 1.700e+07 0.00e+00 a 0 0 0 0 144 37.946 24.503 1 T 2.199e+07 0.00e+00 a 0 0 0 0 145 37.721 23.943 1 T 3.630e+07 0.00e+00 a 0 0 0 0 146 37.514 22.729 1 T 1.852e+07 0.00e+00 a 0 0 0 0 147 42.034 18.321 1 T 2.335e+07 0.00e+00 a 0 0 0 0 148 44.691 15.099 1 T 1.711e+07 0.00e+00 a 0 0 0 0 149 24.201 14.526 1 T 1.744e+07 0.00e+00 a 0 0 0 0 150 22.842 14.547 1 T 2.364e+07 0.00e+00 a 0 0 0 0 151 22.304 19.537 1 T 2.552e+07 0.00e+00 a 0 0 0 0 152 24.794 20.992 1 T 1.793e+07 0.00e+00 a 0 0 0 0 153 24.239 20.704 1 T 2.285e+07 0.00e+00 a 0 0 0 0 154 24.495 20.102 1 T 1.793e+07 0.00e+00 a 0 0 0 0 155 28.416 23.415 1 T 1.985e+07 0.00e+00 a 0 0 0 0 156 28.373 24.065 1 T 4.698e+07 0.00e+00 a 0 0 0 0 157 28.350 24.541 1 T 2.583e+07 0.00e+00 a 0 0 0 0 158 23.970 28.349 1 T 2.629e+07 0.00e+00 a 0 0 0 0 159 33.231 23.893 1 T 2.596e+07 0.00e+00 a 0 0 0 0 160 32.659 23.534 1 T 1.776e+07 0.00e+00 a 0 0 0 0 161 32.539 23.978 1 T 2.612e+07 0.00e+00 a 0 0 0 0 162 34.179 17.219 1 T 2.094e+07 0.00e+00 a 0 0 0 0 163 33.207 17.205 1 T 3.216e+07 0.00e+00 a 0 0 0 0 164 33.521 17.869 1 T 1.762e+07 0.00e+00 a 0 0 0 0 165 39.681 16.163 1 T 1.647e+07 0.00e+00 a 0 0 0 0 166 64.563 60.680 1 T 2.181e+07 0.00e+00 a 0 0 0 0 167 60.767 69.557 1 T 1.967e+07 0.00e+00 a 0 0 0 0 168 59.425 70.343 1 T 4.400e+07 0.00e+00 a 0 0 0 0 169 61.350 72.945 1 T 2.258e+07 0.00e+00 a 0 0 0 0 170 61.351 72.032 1 T 1.957e+07 0.00e+00 a 0 0 0 0 171 72.313 60.641 1 T 1.904e+07 0.00e+00 a 0 0 0 0 172 72.074 60.900 1 T 2.143e+07 0.00e+00 a 0 0 0 0 173 72.563 61.786 1 T 2.399e+07 0.00e+00 a 0 0 0 0 174 69.322 62.866 1 T 3.202e+07 0.00e+00 a 0 0 0 0 175 69.977 65.705 1 T 1.890e+07 0.00e+00 a 0 0 0 0 176 70.745 67.333 1 T 1.820e+07 0.00e+00 a 0 0 0 0 179 66.818 52.635 1 T 1.793e+07 0.00e+00 a 0 0 0 0 182 69.206 60.669 1 T 1.846e+07 0.00e+00 a 0 0 0 0 183 70.330 59.256 1 T 6.085e+07 0.00e+00 a 0 0 0 0 184 60.215 35.571 1 T 2.271e+07 0.00e+00 a 0 0 0 0 185 41.620 36.228 1 T 2.172e+07 0.00e+00 a 0 0 0 0 186 42.091 36.591 1 T 2.043e+07 0.00e+00 a 0 0 0 0 188 45.492 34.829 1 T 2.025e+07 0.00e+00 a 0 0 0 0 189 39.364 42.872 1 T 2.727e+07 0.00e+00 a 0 0 0 0 190 45.111 39.090 1 T 1.774e+07 0.00e+00 a 0 0 0 0 191 44.993 38.676 1 T 2.487e+07 0.00e+00 a 0 0 0 0 192 44.967 38.352 1 T 2.324e+07 0.00e+00 a 0 0 0 0 193 44.692 37.123 1 T 2.205e+07 0.00e+00 a 0 0 0 0 194 46.846 28.382 1 T 1.992e+07 0.00e+00 a 0 0 0 0 195 45.111 28.210 1 T 3.312e+07 0.00e+00 a 0 0 0 0 196 28.230 45.185 1 T 2.318e+07 0.00e+00 a 0 0 0 0 197 39.676 29.847 1 T 2.157e+07 0.00e+00 a 0 0 0 0 198 28.324 44.829 1 T 2.085e+07 0.00e+00 a 0 0 0 0 199 24.123 42.599 1 T 3.950e+07 0.00e+00 a 0 0 0 0 200 24.145 39.633 1 T 2.331e+07 0.00e+00 a 0 0 0 0 201 24.187 37.662 1 T 3.484e+07 0.00e+00 a 0 0 0 0 202 24.223 36.979 1 T 2.132e+07 0.00e+00 a 0 0 0 0 203 24.702 34.951 1 T 1.841e+07 0.00e+00 a 0 0 0 0 204 55.133 30.153 1 T 2.648e+07 0.00e+00 a 0 0 0 0 205 55.083 30.300 1 T 2.697e+07 0.00e+00 a 0 0 0 0 206 55.437 28.488 1 T 4.090e+07 0.00e+00 a 0 0 0 0 207 59.434 28.270 1 T 4.485e+07 0.00e+00 a 0 0 0 0 208 47.283 21.737 1 T 1.796e+07 0.00e+00 a 0 0 0 0 209 42.529 34.218 1 T 1.822e+07 0.00e+00 a 0 0 0 0 210 42.848 33.776 1 T 1.912e+07 0.00e+00 a 0 0 0 0 211 42.556 33.088 1 T 1.929e+07 0.00e+00 a 0 0 0 0 214 42.735 35.694 1 T 2.507e+07 0.00e+00 a 0 0 0 0 215 34.424 23.348 1 T 2.780e+07 0.00e+00 a 0 0 0 0 218 60.203 42.811 1 T 2.797e+07 0.00e+00 a 0 0 0 0 219 42.765 60.133 1 T 2.587e+07 0.00e+00 a 0 0 0 0 220 37.617 62.940 1 T 2.184e+07 0.00e+00 a 0 0 0 0 221 35.985 60.847 1 T 2.099e+07 0.00e+00 a 0 0 0 0 222 38.030 63.491 1 T 1.881e+07 0.00e+00 a 0 0 0 0 223 33.065 59.322 1 T 2.647e+07 0.00e+00 a 0 0 0 0 224 31.836 58.931 1 T 2.120e+07 0.00e+00 a 0 0 0 0 225 31.111 60.101 1 T 2.740e+07 0.00e+00 a 0 0 0 0 226 42.092 71.542 1 T 2.714e+07 0.00e+00 a 0 0 0 0 227 42.707 70.849 1 T 1.971e+07 0.00e+00 a 0 0 0 0 228 37.544 69.680 1 T 2.426e+07 0.00e+00 a 0 0 0 0 229 37.559 69.275 1 T 3.111e+07 0.00e+00 a 0 0 0 0 230 37.088 70.178 1 T 6.842e+07 0.00e+00 a 0 0 0 0 231 33.174 71.451 1 T 2.725e+07 0.00e+00 a 0 0 0 0 232 32.454 71.467 1 T 1.679e+07 0.00e+00 a 0 0 0 0 233 28.319 71.394 1 T 6.854e+07 0.00e+00 a 0 0 0 0 234 29.989 70.356 1 T 3.385e+07 0.00e+00 a 0 0 0 0 235 64.704 29.857 1 T 2.625e+07 0.00e+00 a 0 0 0 0 236 29.934 64.581 1 T 1.594e+07 0.00e+00 a 0 0 0 0 237 28.253 60.875 1 T 2.454e+07 0.00e+00 a 0 0 0 0 238 28.306 59.386 1 T 4.147e+07 0.00e+00 a 0 0 0 0 239 28.395 55.367 1 T 2.210e+07 0.00e+00 a 0 0 0 0 240 29.959 52.777 1 T 2.888e+07 0.00e+00 a 0 0 0 0 241 29.190 52.378 1 T 2.885e+07 0.00e+00 a 0 0 0 0 242 27.156 52.365 1 T 2.589e+07 0.00e+00 a 0 0 0 0 243 24.356 57.499 1 T 3.653e+07 0.00e+00 a 0 0 0 0 244 24.287 56.060 1 T 2.066e+07 0.00e+00 a 0 0 0 0 245 24.257 56.649 1 T 2.142e+07 0.00e+00 a 0 0 0 0 246 24.211 55.053 1 T 3.316e+07 0.00e+00 a 0 0 0 0 247 24.152 54.433 1 T 3.418e+07 0.00e+00 a 0 0 0 0 248 24.004 53.244 1 T 6.336e+07 0.00e+00 a 0 0 0 0 249 18.375 56.933 1 T 3.145e+07 0.00e+00 a 0 0 0 0 250 17.244 65.651 1 T 1.842e+07 0.00e+00 a 0 0 0 0 251 16.942 67.944 1 T 1.650e+07 0.00e+00 a 0 0 0 0 252 68.102 16.966 1 T 1.492e+07 0.00e+00 a 0 0 0 0 253 67.229 18.377 1 T 1.574e+07 0.00e+00 a 0 0 0 0 254 65.699 16.654 1 T 1.598e+07 0.00e+00 a 0 0 0 0 256 37.628 65.689 1 T 3.390e+07 0.00e+00 a 0 0 0 0 257 45.196 62.875 1 T 1.859e+07 0.00e+00 a 0 0 0 0 258 46.274 66.778 1 T 1.505e+07 0.00e+00 a 0 0 0 0 259 44.904 66.913 1 T 1.496e+07 0.00e+00 a 0 0 0 0 260 43.618 66.670 1 T 1.583e+07 0.00e+00 a 0 0 0 0 261 42.185 62.345 1 T 1.975e+07 0.00e+00 a 0 0 0 0 262 42.100 62.384 1 T 1.975e+07 0.00e+00 a 0 0 0 0 263 41.976 62.444 1 T 1.995e+07 0.00e+00 a 0 0 0 0 264 68.173 13.863 1 T 1.843e+07 0.00e+00 a 0 0 0 0 265 20.673 68.585 1 T 1.921e+07 0.00e+00 a 0 0 0 0 266 37.184 52.789 1 T 5.816e+07 0.00e+00 a 0 0 0 0 267 33.955 52.443 1 T 5.192e+07 0.00e+00 a 0 0 0 0 268 35.177 52.044 1 T 2.210e+07 0.00e+00 a 0 0 0 0 269 24.586 67.393 1 T 2.047e+07 0.00e+00 a 0 0 0 0 270 26.382 58.197 1 T 2.953e+07 0.00e+00 a 0 0 0 0 271 37.114 42.815 1 T 2.214e+07 0.00e+00 a 0 0 0 0 272 37.103 42.859 1 T 2.217e+07 0.00e+00 a 0 0 0 0 273 36.378 41.494 1 T 2.055e+07 0.00e+00 a 0 0 0 0 274 42.804 37.066 1 T 3.445e+07 0.00e+00 a 0 0 0 0 275 66.428 58.772 1 T 2.353e+07 0.00e+00 a 0 0 0 0 276 58.767 66.127 1 T 1.881e+07 0.00e+00 a 0 0 0 0 277 55.320 51.075 1 T 3.542e+07 0.00e+00 a 0 0 0 0 278 51.228 55.206 1 T 2.156e+07 0.00e+00 a 0 0 0 0 279 24.581 71.433 1 T 2.715e+07 0.00e+00 a 0 0 0 0 280 24.585 62.823 1 T 2.547e+07 0.00e+00 a 0 0 0 0 281 71.426 24.561 1 T 1.809e+07 0.00e+00 a 0 0 0 0 282 36.342 59.923 1 T 4.500e+07 0.00e+00 a 0 0 0 0 283 36.318 52.396 1 T 3.091e+07 0.00e+00 a 0 0 0 0 284 14.531 39.374 1 T 1.818e+07 0.00e+00 a 0 0 0 0 285 62.555 67.422 1 T 1.670e+07 0.00e+00 a 0 0 0 0 286 22.468 57.983 1 T 1.830e+07 0.00e+00 a 0 0 0 0 287 22.412 56.431 1 T 1.865e+07 0.00e+00 a 0 0 0 0 288 22.415 56.377 1 T 1.858e+07 0.00e+00 a 0 0 0 0 289 14.531 69.767 1 T 2.843e+07 0.00e+00 a 0 0 0 0 290 62.590 32.145 1 T 2.906e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 11 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 11 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_12 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_12 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 12 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 400ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 1 63.455 50.007 1 T 1.955e+07 0.00e+00 a 0 0 0 0 2 62.838 50.461 1 T 2.748e+07 0.00e+00 a 0 0 0 0 3 64.547 51.261 1 T 1.420e+07 0.00e+00 a 0 0 0 0 4 64.557 50.389 1 T 1.169e+07 0.00e+00 a 0 0 0 0 5 64.591 45.438 1 T 1.519e+07 0.00e+00 a 0 0 0 0 6 63.636 45.413 1 T 1.624e+07 0.00e+00 a 0 0 0 0 7 63.166 44.257 1 T 8.685e+06 0.00e+00 a 0 0 0 0 8 62.220 44.654 1 T 1.336e+07 0.00e+00 a 0 0 0 0 9 62.111 44.232 1 T 1.209e+07 0.00e+00 a 0 0 0 0 10 61.788 43.975 1 T 9.466e+06 0.00e+00 a 0 0 0 0 11 61.311 44.270 1 T 1.365e+07 0.00e+00 a 0 0 0 0 12 61.210 43.998 1 T 1.206e+07 0.00e+00 a 0 0 0 0 14 60.954 44.677 1 T 8.568e+06 0.00e+00 a 0 0 0 0 15 61.414 43.231 1 T 1.181e+07 0.00e+00 a 0 0 0 0 16 61.278 42.858 1 T 1.074e+07 0.00e+00 a 0 0 0 0 17 59.952 44.828 1 T 1.517e+07 0.00e+00 a 0 0 0 0 18 59.790 47.196 1 T 2.204e+07 0.00e+00 a 0 0 0 0 19 58.908 49.498 1 T 1.903e+07 0.00e+00 a 0 0 0 0 20 57.194 48.141 1 T 1.341e+07 0.00e+00 a 0 0 0 0 21 55.860 47.625 1 T 1.534e+07 0.00e+00 a 0 0 0 0 22 56.178 49.938 1 T 3.701e+07 0.00e+00 a 0 0 0 0 23 57.017 50.461 1 T 2.105e+07 0.00e+00 a 0 0 0 0 24 61.353 51.070 1 T 2.631e+07 0.00e+00 a 0 0 0 0 25 61.442 52.807 1 T 1.739e+07 0.00e+00 a 0 0 0 0 28 64.435 59.271 1 T 9.913e+06 0.00e+00 a 0 0 0 0 30 63.575 57.642 1 T 1.554e+07 0.00e+00 a 0 0 0 0 31 55.085 49.948 1 T 1.268e+07 0.00e+00 a 0 0 0 0 32 58.414 51.444 1 T 3.706e+07 0.00e+00 a 0 0 0 0 33 57.163 51.260 1 T 7.692e+07 0.00e+00 a 0 0 0 0 34 55.059 51.131 1 T 4.109e+07 0.00e+00 a 0 0 0 0 35 53.225 51.171 1 T 5.868e+07 0.00e+00 a 0 0 0 0 36 59.556 51.131 1 T 4.369e+07 0.00e+00 a 0 0 0 0 37 60.925 51.825 1 T 1.801e+07 0.00e+00 a 0 0 0 0 38 60.021 52.319 1 T 4.676e+07 0.00e+00 a 0 0 0 0 39 60.548 52.626 1 T 1.247e+07 0.00e+00 a 0 0 0 0 40 57.120 55.112 1 T 1.084e+08 0.00e+00 a 0 0 0 0 41 56.938 53.268 1 T 3.990e+07 0.00e+00 a 0 0 0 0 42 58.240 52.708 1 T 3.484e+07 0.00e+00 a 0 0 0 0 43 58.015 52.370 1 T 3.600e+07 0.00e+00 a 0 0 0 0 44 57.077 52.314 1 T 8.595e+07 0.00e+00 a 0 0 0 0 45 54.449 52.356 1 T 4.999e+07 0.00e+00 a 0 0 0 0 46 55.223 52.257 1 T 2.443e+07 0.00e+00 a 0 0 0 0 47 55.631 53.018 1 T 1.448e+07 0.00e+00 a 0 0 0 0 48 53.472 52.390 1 T 7.680e+07 0.00e+00 a 0 0 0 0 49 54.186 51.749 1 T 2.336e+07 0.00e+00 a 0 0 0 0 50 52.153 53.409 1 T 3.545e+07 0.00e+00 a 0 0 0 0 51 52.448 53.823 1 T 3.752e+07 0.00e+00 a 0 0 0 0 52 51.728 54.498 1 T 2.678e+07 0.00e+00 a 0 0 0 0 53 51.563 53.803 1 T 2.792e+07 0.00e+00 a 0 0 0 0 54 51.267 55.057 1 T 4.591e+07 0.00e+00 a 0 0 0 0 55 51.069 54.584 1 T 2.518e+07 0.00e+00 a 0 0 0 0 56 51.305 53.325 1 T 4.657e+07 0.00e+00 a 0 0 0 0 57 51.046 53.910 1 T 2.241e+07 0.00e+00 a 0 0 0 0 58 50.923 53.855 1 T 2.299e+07 0.00e+00 a 0 0 0 0 59 49.427 52.368 1 T 2.195e+07 0.00e+00 a 0 0 0 0 60 50.201 52.237 1 T 1.250e+07 0.00e+00 a 0 0 0 0 61 49.742 51.727 1 T 2.014e+07 0.00e+00 a 0 0 0 0 62 49.792 51.097 1 T 6.511e+07 0.00e+00 a 0 0 0 0 63 51.057 49.910 1 T 5.618e+07 0.00e+00 a 0 0 0 0 64 52.404 49.533 1 T 2.010e+07 0.00e+00 a 0 0 0 0 65 60.111 50.655 1 T 1.306e+07 0.00e+00 a 0 0 0 0 66 52.296 59.636 1 T 2.253e+07 0.00e+00 a 0 0 0 0 67 51.404 58.425 1 T 3.328e+07 0.00e+00 a 0 0 0 0 68 51.223 59.408 1 T 4.381e+07 0.00e+00 a 0 0 0 0 69 51.091 59.894 1 T 2.046e+07 0.00e+00 a 0 0 0 0 70 51.310 57.621 1 T 5.196e+07 0.00e+00 a 0 0 0 0 71 51.327 57.085 1 T 8.461e+07 0.00e+00 a 0 0 0 0 72 50.564 57.035 1 T 1.710e+07 0.00e+00 a 0 0 0 0 73 52.427 56.272 1 T 4.063e+07 0.00e+00 a 0 0 0 0 74 52.306 57.060 1 T 9.059e+07 0.00e+00 a 0 0 0 0 75 52.519 58.268 1 T 3.836e+07 0.00e+00 a 0 0 0 0 76 53.379 56.918 1 T 5.247e+07 0.00e+00 a 0 0 0 0 77 53.184 56.050 1 T 2.785e+07 0.00e+00 a 0 0 0 0 78 53.233 55.316 1 T 2.549e+07 0.00e+00 a 0 0 0 0 79 54.322 57.091 1 T 6.520e+07 0.00e+00 a 0 0 0 0 80 54.030 56.748 1 T 5.697e+07 0.00e+00 a 0 0 0 0 81 54.774 56.147 1 T 1.322e+08 0.00e+00 a 0 0 0 0 82 54.507 57.788 1 T 1.912e+07 0.00e+00 a 0 0 0 0 83 54.275 58.475 1 T 1.215e+07 0.00e+00 a 0 0 0 0 84 54.199 58.468 1 T 1.222e+07 0.00e+00 a 0 0 0 0 85 54.310 59.989 1 T 1.549e+07 0.00e+00 a 0 0 0 0 86 53.375 60.053 1 T 1.554e+07 0.00e+00 a 0 0 0 0 87 49.950 63.246 1 T 1.936e+07 0.00e+00 a 0 0 0 0 88 50.403 62.782 1 T 1.896e+07 0.00e+00 a 0 0 0 0 89 51.094 61.393 1 T 2.166e+07 0.00e+00 a 0 0 0 0 90 51.801 60.838 1 T 1.819e+07 0.00e+00 a 0 0 0 0 91 51.726 60.870 1 T 1.830e+07 0.00e+00 a 0 0 0 0 92 52.657 60.502 1 T 1.611e+07 0.00e+00 a 0 0 0 0 93 52.345 60.051 1 T 4.018e+07 0.00e+00 a 0 0 0 0 94 52.773 61.419 1 T 1.800e+07 0.00e+00 a 0 0 0 0 95 57.725 63.663 1 T 1.118e+07 0.00e+00 a 0 0 0 0 96 58.824 62.509 1 T 1.922e+07 0.00e+00 a 0 0 0 0 97 56.855 62.467 1 T 1.562e+07 0.00e+00 a 0 0 0 0 98 59.446 62.393 1 T 1.447e+07 0.00e+00 a 0 0 0 0 99 59.165 62.076 1 T 1.045e+07 0.00e+00 a 0 0 0 0 100 54.119 62.504 1 T 1.166e+07 0.00e+00 a 0 0 0 0 101 54.661 62.239 1 T 1.524e+07 0.00e+00 a 0 0 0 0 102 58.827 61.337 1 T 2.689e+07 0.00e+00 a 0 0 0 0 103 57.874 61.324 1 T 4.190e+07 0.00e+00 a 0 0 0 0 104 56.848 61.321 1 T 2.793e+07 0.00e+00 a 0 0 0 0 105 55.820 60.968 1 T 1.814e+07 0.00e+00 a 0 0 0 0 106 55.436 61.348 1 T 1.508e+07 0.00e+00 a 0 0 0 0 107 54.703 60.944 1 T 2.213e+07 0.00e+00 a 0 0 0 0 108 55.038 59.657 1 T 4.593e+07 0.00e+00 a 0 0 0 0 109 55.197 58.827 1 T 4.364e+07 0.00e+00 a 0 0 0 0 110 55.218 58.042 1 T 4.228e+07 0.00e+00 a 0 0 0 0 111 55.971 57.836 1 T 8.636e+07 0.00e+00 a 0 0 0 0 113 57.222 59.320 1 T 8.095e+07 0.00e+00 a 0 0 0 0 114 58.315 60.492 1 T 3.756e+07 0.00e+00 a 0 0 0 0 115 59.177 57.254 1 T 9.713e+07 0.00e+00 a 0 0 0 0 116 59.793 56.277 1 T 4.476e+07 0.00e+00 a 0 0 0 0 117 59.988 55.340 1 T 4.593e+07 0.00e+00 a 0 0 0 0 118 59.685 54.968 1 T 5.444e+07 0.00e+00 a 0 0 0 0 119 63.181 56.620 1 T 1.239e+07 0.00e+00 a 0 0 0 0 120 62.765 56.313 1 T 1.035e+07 0.00e+00 a 0 0 0 0 121 62.630 59.324 1 T 1.189e+07 0.00e+00 a 0 0 0 0 122 62.520 59.693 1 T 1.577e+07 0.00e+00 a 0 0 0 0 123 62.499 58.775 1 T 2.599e+07 0.00e+00 a 0 0 0 0 124 62.513 56.993 1 T 2.378e+07 0.00e+00 a 0 0 0 0 125 62.426 57.779 1 T 1.437e+07 0.00e+00 a 0 0 0 0 126 61.467 57.294 1 T 2.343e+07 0.00e+00 a 0 0 0 0 127 61.434 58.834 1 T 3.179e+07 0.00e+00 a 0 0 0 0 128 61.410 57.207 1 T 2.374e+07 0.00e+00 a 0 0 0 0 129 61.292 57.838 1 T 4.429e+07 0.00e+00 a 0 0 0 0 130 61.259 59.399 1 T 3.435e+07 0.00e+00 a 0 0 0 0 131 61.262 55.286 1 T 1.804e+07 0.00e+00 a 0 0 0 0 132 61.204 56.821 1 T 3.254e+07 0.00e+00 a 0 0 0 0 133 61.031 55.860 1 T 2.292e+07 0.00e+00 a 0 0 0 0 134 60.991 54.655 1 T 2.923e+07 0.00e+00 a 0 0 0 0 135 64.661 35.461 1 T 9.662e+06 0.00e+00 a 0 0 0 0 137 57.826 35.910 1 T 2.566e+07 0.00e+00 a 0 0 0 0 138 57.045 36.132 1 T 2.117e+07 0.00e+00 a 0 0 0 0 139 58.265 37.179 1 T 3.592e+07 0.00e+00 a 0 0 0 0 140 57.291 37.208 1 T 3.638e+07 0.00e+00 a 0 0 0 0 141 57.192 33.180 1 T 1.833e+07 0.00e+00 a 0 0 0 0 142 54.555 33.428 1 T 1.315e+07 0.00e+00 a 0 0 0 0 143 54.279 33.529 1 T 1.480e+07 0.00e+00 a 0 0 0 0 144 54.314 32.938 1 T 1.499e+07 0.00e+00 a 0 0 0 0 145 54.123 33.623 1 T 1.530e+07 0.00e+00 a 0 0 0 0 146 59.579 43.870 1 T 2.066e+07 0.00e+00 a 0 0 0 0 148 57.153 42.535 1 T 2.120e+07 0.00e+00 a 0 0 0 0 150 56.702 42.397 1 T 2.047e+07 0.00e+00 a 0 0 0 0 151 56.382 42.752 1 T 2.391e+07 0.00e+00 a 0 0 0 0 152 58.041 43.625 1 T 1.120e+07 0.00e+00 a 0 0 0 0 153 57.851 42.957 1 T 1.648e+07 0.00e+00 a 0 0 0 0 154 59.647 46.158 1 T 6.600e+07 0.00e+00 a 0 0 0 0 155 58.843 45.734 1 T 1.420e+07 0.00e+00 a 0 0 0 0 156 58.310 46.146 1 T 2.852e+07 0.00e+00 a 0 0 0 0 157 58.135 47.192 1 T 1.339e+07 0.00e+00 a 0 0 0 0 158 58.442 46.689 1 T 9.302e+06 0.00e+00 a 0 0 0 0 159 57.746 45.392 1 T 3.197e+07 0.00e+00 a 0 0 0 0 160 57.214 46.631 1 T 4.278e+07 0.00e+00 a 0 0 0 0 161 56.971 47.054 1 T 3.356e+07 0.00e+00 a 0 0 0 0 162 56.975 46.084 1 T 6.694e+07 0.00e+00 a 0 0 0 0 163 58.245 44.760 1 T 3.352e+07 0.00e+00 a 0 0 0 0 164 58.105 45.021 1 T 3.639e+07 0.00e+00 a 0 0 0 0 165 56.832 44.654 1 T 6.381e+07 0.00e+00 a 0 0 0 0 166 53.354 46.131 1 T 1.684e+07 0.00e+00 a 0 0 0 0 167 53.407 47.176 1 T 9.863e+06 0.00e+00 a 0 0 0 0 168 53.348 47.169 1 T 9.917e+06 0.00e+00 a 0 0 0 0 169 53.527 44.269 1 T 1.478e+07 0.00e+00 a 0 0 0 0 170 55.090 45.910 1 T 4.179e+07 0.00e+00 a 0 0 0 0 171 54.300 45.400 1 T 1.872e+07 0.00e+00 a 0 0 0 0 172 54.190 45.969 1 T 1.803e+07 0.00e+00 a 0 0 0 0 173 54.022 45.185 1 T 2.130e+07 0.00e+00 a 0 0 0 0 174 54.536 44.049 1 T 2.594e+07 0.00e+00 a 0 0 0 0 175 55.013 43.313 1 T 1.342e+07 0.00e+00 a 0 0 0 0 176 55.218 44.788 1 T 3.162e+07 0.00e+00 a 0 0 0 0 177 56.037 43.521 1 T 1.282e+07 0.00e+00 a 0 0 0 0 178 54.393 42.701 1 T 1.432e+07 0.00e+00 a 0 0 0 0 179 54.686 49.560 1 T 1.057e+07 0.00e+00 a 0 0 0 0 180 54.288 47.083 1 T 2.467e+07 0.00e+00 a 0 0 0 0 181 54.749 47.727 1 T 1.781e+07 0.00e+00 a 0 0 0 0 182 55.253 47.052 1 T 1.264e+07 0.00e+00 a 0 0 0 0 183 51.730 42.296 1 T 4.173e+07 0.00e+00 a 0 0 0 0 184 51.126 42.692 1 T 2.012e+07 0.00e+00 a 0 0 0 0 185 50.469 42.392 1 T 2.588e+07 0.00e+00 a 0 0 0 0 186 52.962 42.413 1 T 1.479e+07 0.00e+00 a 0 0 0 0 187 52.470 39.241 1 T 1.148e+07 0.00e+00 a 0 0 0 0 188 48.249 34.663 1 T 1.268e+07 0.00e+00 a 0 0 0 0 189 50.455 34.777 1 T 1.941e+07 0.00e+00 a 0 0 0 0 190 50.014 34.668 1 T 1.812e+07 0.00e+00 a 0 0 0 0 191 51.053 35.451 1 T 2.264e+07 0.00e+00 a 0 0 0 0 192 52.256 33.588 1 T 1.152e+07 0.00e+00 a 0 0 0 0 193 54.728 34.807 1 T 1.739e+07 0.00e+00 a 0 0 0 0 194 54.985 35.640 1 T 1.312e+07 0.00e+00 a 0 0 0 0 195 54.686 36.114 1 T 4.172e+07 0.00e+00 a 0 0 0 0 196 55.853 35.835 1 T 9.569e+06 0.00e+00 a 0 0 0 0 197 55.247 36.212 1 T 1.914e+07 0.00e+00 a 0 0 0 0 198 53.365 26.685 1 T 1.333e+07 0.00e+00 a 0 0 0 0 199 52.907 27.891 1 T 1.199e+07 0.00e+00 a 0 0 0 0 200 51.899 27.316 1 T 2.543e+07 0.00e+00 a 0 0 0 0 201 52.253 28.956 1 T 3.107e+07 0.00e+00 a 0 0 0 0 202 51.204 28.782 1 T 1.596e+07 0.00e+00 a 0 0 0 0 203 51.063 28.778 1 T 1.664e+07 0.00e+00 a 0 0 0 0 204 50.963 28.773 1 T 1.643e+07 0.00e+00 a 0 0 0 0 205 51.240 27.933 1 T 2.683e+07 0.00e+00 a 0 0 0 0 206 58.115 28.213 1 T 3.424e+07 0.00e+00 a 0 0 0 0 207 57.202 23.925 1 T 1.388e+07 0.00e+00 a 0 0 0 0 208 55.903 19.063 1 T 7.580e+06 0.00e+00 a 0 0 0 0 209 54.172 19.132 1 T 6.557e+06 0.00e+00 a 0 0 0 0 210 49.854 23.898 1 T 1.283e+07 0.00e+00 a 0 0 0 0 212 51.216 23.930 1 T 2.655e+07 0.00e+00 a 0 0 0 0 213 52.302 24.368 1 T 1.132e+07 0.00e+00 a 0 0 0 0 214 50.968 22.150 1 T 8.487e+06 0.00e+00 a 0 0 0 0 215 46.281 20.692 1 T 6.251e+06 0.00e+00 a 0 0 0 0 216 44.758 22.735 1 T 1.187e+07 0.00e+00 a 0 0 0 0 217 42.389 22.631 1 T 1.224e+07 0.00e+00 a 0 0 0 0 218 46.459 22.876 1 T 9.044e+06 0.00e+00 a 0 0 0 0 222 55.739 27.479 1 T 1.528e+07 0.00e+00 a 0 0 0 0 223 59.789 28.394 1 T 1.105e+07 0.00e+00 a 0 0 0 0 224 59.712 28.392 1 T 1.085e+07 0.00e+00 a 0 0 0 0 225 62.267 27.661 1 T 1.768e+07 0.00e+00 a 0 0 0 0 226 61.492 26.722 1 T 1.349e+07 0.00e+00 a 0 0 0 0 227 62.639 28.152 1 T 1.466e+07 0.00e+00 a 0 0 0 0 228 62.087 28.857 1 T 9.338e+06 0.00e+00 a 0 0 0 0 229 64.561 28.277 1 T 1.039e+07 0.00e+00 a 0 0 0 0 230 64.555 27.874 1 T 1.265e+07 0.00e+00 a 0 0 0 0 231 64.673 23.920 1 T 8.356e+06 0.00e+00 a 0 0 0 0 232 61.415 23.843 1 T 8.610e+06 0.00e+00 a 0 0 0 0 233 61.351 21.317 1 T 9.731e+06 0.00e+00 a 0 0 0 0 234 60.010 21.186 1 T 9.394e+06 0.00e+00 a 0 0 0 0 235 62.974 21.293 1 T 1.051e+07 0.00e+00 a 0 0 0 0 236 68.910 20.154 1 T 1.036e+07 0.00e+00 a 0 0 0 0 237 69.414 22.890 1 T 1.052e+07 0.00e+00 a 0 0 0 0 238 70.519 35.333 1 T 8.371e+06 0.00e+00 a 0 0 0 0 239 70.063 46.185 1 T 1.194e+07 0.00e+00 a 0 0 0 0 240 71.406 44.797 1 T 9.200e+06 0.00e+00 a 0 0 0 0 241 71.482 51.239 1 T 1.107e+07 0.00e+00 a 0 0 0 0 242 73.596 52.338 1 T 1.237e+07 0.00e+00 a 0 0 0 0 243 70.397 51.064 1 T 8.082e+06 0.00e+00 a 0 0 0 0 244 44.594 71.414 1 T 1.506e+07 0.00e+00 a 0 0 0 0 245 46.314 70.017 1 T 9.420e+06 0.00e+00 a 0 0 0 0 246 47.964 70.765 1 T 1.150e+07 0.00e+00 a 0 0 0 0 247 49.978 72.079 1 T 8.760e+06 0.00e+00 a 0 0 0 0 248 49.862 71.478 1 T 9.881e+06 0.00e+00 a 0 0 0 0 249 51.124 71.388 1 T 1.594e+07 0.00e+00 a 0 0 0 0 250 52.378 73.632 1 T 1.241e+07 0.00e+00 a 0 0 0 0 252 35.275 70.433 1 T 9.246e+06 0.00e+00 a 0 0 0 0 254 28.078 64.509 1 T 1.238e+07 0.00e+00 a 0 0 0 0 255 26.768 61.375 1 T 1.584e+07 0.00e+00 a 0 0 0 0 256 26.761 61.885 1 T 1.503e+07 0.00e+00 a 0 0 0 0 257 27.701 62.212 1 T 1.782e+07 0.00e+00 a 0 0 0 0 258 33.452 56.604 1 T 1.543e+07 0.00e+00 a 0 0 0 0 259 33.293 57.066 1 T 1.926e+07 0.00e+00 a 0 0 0 0 260 39.234 55.853 1 T 9.059e+06 0.00e+00 a 0 0 0 0 261 39.235 61.305 1 T 8.292e+06 0.00e+00 a 0 0 0 0 262 37.186 58.170 1 T 2.947e+07 0.00e+00 a 0 0 0 0 263 35.942 57.850 1 T 2.315e+07 0.00e+00 a 0 0 0 0 264 35.978 56.938 1 T 2.351e+07 0.00e+00 a 0 0 0 0 265 37.238 57.293 1 T 3.792e+07 0.00e+00 a 0 0 0 0 266 36.092 55.929 1 T 1.270e+07 0.00e+00 a 0 0 0 0 267 36.172 55.194 1 T 2.257e+07 0.00e+00 a 0 0 0 0 268 36.102 54.667 1 T 3.607e+07 0.00e+00 a 0 0 0 0 269 35.043 54.634 1 T 2.041e+07 0.00e+00 a 0 0 0 0 270 35.398 51.048 1 T 2.440e+07 0.00e+00 a 0 0 0 0 271 36.042 51.284 1 T 1.203e+07 0.00e+00 a 0 0 0 0 272 34.824 50.427 1 T 1.807e+07 0.00e+00 a 0 0 0 0 273 34.165 49.981 1 T 1.544e+07 0.00e+00 a 0 0 0 0 274 27.255 51.961 1 T 2.319e+07 0.00e+00 a 0 0 0 0 275 27.928 51.154 1 T 2.920e+07 0.00e+00 a 0 0 0 0 276 28.684 51.097 1 T 1.572e+07 0.00e+00 a 0 0 0 0 277 28.247 51.657 1 T 1.926e+07 0.00e+00 a 0 0 0 0 278 28.931 51.817 1 T 1.369e+07 0.00e+00 a 0 0 0 0 279 28.844 51.798 1 T 1.381e+07 0.00e+00 a 0 0 0 0 280 28.956 52.349 1 T 3.028e+07 0.00e+00 a 0 0 0 0 281 23.953 51.188 1 T 2.317e+07 0.00e+00 a 0 0 0 0 282 23.958 49.791 1 T 1.771e+07 0.00e+00 a 0 0 0 0 283 23.827 48.398 1 T 8.284e+06 0.00e+00 a 0 0 0 0 284 22.771 44.736 1 T 1.380e+07 0.00e+00 a 0 0 0 0 285 22.659 42.431 1 T 1.108e+07 0.00e+00 a 0 0 0 0 286 20.355 37.192 1 T 1.451e+07 0.00e+00 a 0 0 0 0 287 42.418 53.077 1 T 1.305e+07 0.00e+00 a 0 0 0 0 288 42.877 52.525 1 T 1.164e+07 0.00e+00 a 0 0 0 0 289 52.400 43.029 1 T 8.585e+06 0.00e+00 a 0 0 0 0 290 52.242 42.979 1 T 8.741e+06 0.00e+00 a 0 0 0 0 291 51.306 43.989 1 T 1.817e+07 0.00e+00 a 0 0 0 0 292 51.244 44.019 1 T 1.830e+07 0.00e+00 a 0 0 0 0 293 42.383 51.768 1 T 3.611e+07 0.00e+00 a 0 0 0 0 294 42.690 51.074 1 T 2.935e+07 0.00e+00 a 0 0 0 0 295 42.396 50.456 1 T 2.277e+07 0.00e+00 a 0 0 0 0 296 43.505 47.598 1 T 2.345e+07 0.00e+00 a 0 0 0 0 297 47.473 43.463 1 T 3.581e+07 0.00e+00 a 0 0 0 0 298 46.521 44.757 1 T 6.850e+07 0.00e+00 a 0 0 0 0 299 44.766 46.602 1 T 5.779e+07 0.00e+00 a 0 0 0 0 300 46.639 42.378 1 T 1.572e+07 0.00e+00 a 0 0 0 0 301 45.766 42.530 1 T 2.967e+07 0.00e+00 a 0 0 0 0 302 42.742 45.964 1 T 2.015e+07 0.00e+00 a 0 0 0 0 304 42.495 46.662 1 T 1.106e+07 0.00e+00 a 0 0 0 0 308 47.811 46.061 1 T 3.220e+07 0.00e+00 a 0 0 0 0 309 45.951 47.913 1 T 1.990e+07 0.00e+00 a 0 0 0 0 310 48.244 51.052 1 T 2.792e+07 0.00e+00 a 0 0 0 0 311 51.212 48.114 1 T 2.341e+07 0.00e+00 a 0 0 0 0 312 51.135 48.125 1 T 2.317e+07 0.00e+00 a 0 0 0 0 313 52.251 47.190 1 T 2.967e+07 0.00e+00 a 0 0 0 0 314 51.134 47.210 1 T 4.610e+07 0.00e+00 a 0 0 0 0 315 51.524 46.625 1 T 3.013e+07 0.00e+00 a 0 0 0 0 316 52.303 46.125 1 T 3.352e+07 0.00e+00 a 0 0 0 0 317 51.802 46.032 1 T 2.740e+07 0.00e+00 a 0 0 0 0 318 51.201 45.414 1 T 7.594e+07 0.00e+00 a 0 0 0 0 319 49.878 45.331 1 T 3.711e+07 0.00e+00 a 0 0 0 0 320 49.899 44.224 1 T 1.407e+07 0.00e+00 a 0 0 0 0 321 46.056 52.204 1 T 3.122e+07 0.00e+00 a 0 0 0 0 322 47.200 52.334 1 T 3.378e+07 0.00e+00 a 0 0 0 0 323 47.265 51.122 1 T 4.468e+07 0.00e+00 a 0 0 0 0 324 45.733 50.452 1 T 1.540e+07 0.00e+00 a 0 0 0 0 325 45.386 51.212 1 T 7.660e+07 0.00e+00 a 0 0 0 0 326 44.217 51.243 1 T 1.691e+07 0.00e+00 a 0 0 0 0 327 45.255 49.838 1 T 4.138e+07 0.00e+00 a 0 0 0 0 328 44.298 49.803 1 T 1.166e+07 0.00e+00 a 0 0 0 0 329 45.403 53.361 1 T 1.713e+07 0.00e+00 a 0 0 0 0 330 42.582 57.051 1 T 2.886e+07 0.00e+00 a 0 0 0 0 331 42.526 56.476 1 T 1.688e+07 0.00e+00 a 0 0 0 0 333 42.369 54.563 1 T 1.842e+07 0.00e+00 a 0 0 0 0 334 43.330 55.870 1 T 1.176e+07 0.00e+00 a 0 0 0 0 335 43.090 55.847 1 T 1.162e+07 0.00e+00 a 0 0 0 0 336 46.187 58.388 1 T 2.993e+07 0.00e+00 a 0 0 0 0 337 46.199 57.101 1 T 7.511e+07 0.00e+00 a 0 0 0 0 338 46.059 55.905 1 T 2.125e+07 0.00e+00 a 0 0 0 0 339 45.334 57.625 1 T 3.425e+07 0.00e+00 a 0 0 0 0 340 44.834 56.102 1 T 2.760e+07 0.00e+00 a 0 0 0 0 341 44.628 56.824 1 T 6.523e+07 0.00e+00 a 0 0 0 0 342 44.594 58.375 1 T 3.788e+07 0.00e+00 a 0 0 0 0 343 44.559 57.196 1 T 4.531e+07 0.00e+00 a 0 0 0 0 344 46.207 59.601 1 T 6.184e+07 0.00e+00 a 0 0 0 0 345 46.072 60.062 1 T 4.055e+07 0.00e+00 a 0 0 0 0 346 60.141 46.009 1 T 3.952e+07 0.00e+00 a 0 0 0 0 347 45.452 58.825 1 T 1.226e+07 0.00e+00 a 0 0 0 0 348 47.935 55.191 1 T 1.022e+07 0.00e+00 a 0 0 0 0 349 47.783 54.727 1 T 1.888e+07 0.00e+00 a 0 0 0 0 350 46.949 54.284 1 T 2.723e+07 0.00e+00 a 0 0 0 0 351 46.251 54.518 1 T 2.343e+07 0.00e+00 a 0 0 0 0 352 45.898 55.094 1 T 4.558e+07 0.00e+00 a 0 0 0 0 353 45.415 53.987 1 T 1.890e+07 0.00e+00 a 0 0 0 0 354 44.949 55.158 1 T 2.879e+07 0.00e+00 a 0 0 0 0 355 44.961 54.191 1 T 1.082e+07 0.00e+00 a 0 0 0 0 356 44.860 55.182 1 T 2.907e+07 0.00e+00 a 0 0 0 0 357 44.314 54.870 1 T 2.748e+07 0.00e+00 a 0 0 0 0 358 47.652 55.898 1 T 2.433e+07 0.00e+00 a 0 0 0 0 359 47.100 57.054 1 T 4.283e+07 0.00e+00 a 0 0 0 0 360 47.984 57.212 1 T 1.534e+07 0.00e+00 a 0 0 0 0 361 47.118 58.169 1 T 1.155e+07 0.00e+00 a 0 0 0 0 362 49.529 54.643 1 T 1.324e+07 0.00e+00 a 0 0 0 0 363 49.931 56.210 1 T 3.833e+07 0.00e+00 a 0 0 0 0 364 49.457 58.874 1 T 1.361e+07 0.00e+00 a 0 0 0 0 366 47.160 59.712 1 T 1.710e+07 0.00e+00 a 0 0 0 0 367 45.440 63.620 1 T 1.247e+07 0.00e+00 a 0 0 0 0 368 46.147 62.859 1 T 1.090e+07 0.00e+00 a 0 0 0 0 369 44.712 62.257 1 T 1.015e+07 0.00e+00 a 0 0 0 0 370 44.227 61.344 1 T 1.570e+07 0.00e+00 a 0 0 0 0 371 43.991 61.894 1 T 1.092e+07 0.00e+00 a 0 0 0 0 372 47.635 36.167 1 T 1.182e+07 0.00e+00 a 0 0 0 0 373 46.272 36.102 1 T 4.497e+07 0.00e+00 a 0 0 0 0 374 46.149 35.575 1 T 1.649e+07 0.00e+00 a 0 0 0 0 375 44.158 32.455 1 T 1.490e+07 0.00e+00 a 0 0 0 0 379 36.366 47.047 1 T 8.930e+06 0.00e+00 a 0 0 0 0 380 36.156 46.180 1 T 3.475e+07 0.00e+00 a 0 0 0 0 381 36.077 47.645 1 T 8.639e+06 0.00e+00 a 0 0 0 0 383 28.159 58.083 1 T 2.414e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 12 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 12 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_13 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_13 _Spectral_peak_list.Entry_ID 34088 _Spectral_peak_list.ID 13 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 13C-13C DARR 400ms' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Only the non-crowded areas in the aliphatic and methyl region were no intra-residual peaks are present were peak picked to avoid the generation of erroneous distance constraints based on weak unassigned intra-residual peaks. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 C # INAME 2 c 2 67.418 59.908 1 T 1.214e+07 0.00e+00 a 0 0 0 0 3 69.313 58.034 1 T 1.190e+07 0.00e+00 a 0 0 0 0 4 72.301 58.148 1 T 1.166e+07 0.00e+00 a 0 0 0 0 5 71.205 56.918 1 T 1.124e+07 0.00e+00 a 0 0 0 0 6 70.087 56.113 1 T 2.309e+07 0.00e+00 a 0 0 0 0 7 69.219 55.918 1 T 1.358e+07 0.00e+00 a 0 0 0 0 8 71.411 55.228 1 T 2.752e+07 0.00e+00 a 0 0 0 0 9 70.178 54.079 1 T 1.295e+07 0.00e+00 a 0 0 0 0 10 70.088 54.379 1 T 1.118e+07 0.00e+00 a 0 0 0 0 11 69.809 46.155 1 T 9.791e+06 0.00e+00 a 0 0 0 0 12 73.491 45.527 1 T 1.014e+07 0.00e+00 a 0 0 0 0 13 73.635 42.523 1 T 1.062e+07 0.00e+00 a 0 0 0 0 14 71.413 44.640 1 T 1.416e+07 0.00e+00 a 0 0 0 0 15 71.355 42.735 1 T 2.131e+07 0.00e+00 a 0 0 0 0 16 71.434 42.322 1 T 1.535e+07 0.00e+00 a 0 0 0 0 17 70.133 42.636 1 T 1.065e+07 0.00e+00 a 0 0 0 0 18 70.144 42.292 1 T 1.026e+07 0.00e+00 a 0 0 0 0 21 70.067 39.252 1 T 1.171e+07 0.00e+00 a 0 0 0 0 22 69.325 39.258 1 T 1.438e+07 0.00e+00 a 0 0 0 0 23 69.221 37.468 1 T 1.949e+07 0.00e+00 a 0 0 0 0 25 70.081 36.991 1 T 2.291e+07 0.00e+00 a 0 0 0 0 26 70.455 36.903 1 T 1.870e+07 0.00e+00 a 0 0 0 0 27 71.377 32.388 1 T 1.780e+07 0.00e+00 a 0 0 0 0 28 71.328 33.068 1 T 1.511e+07 0.00e+00 a 0 0 0 0 29 70.349 29.728 1 T 1.223e+07 0.00e+00 a 0 0 0 0 30 71.322 28.301 1 T 3.136e+07 0.00e+00 a 0 0 0 0 31 67.756 37.083 1 T 1.271e+07 0.00e+00 a 0 0 0 0 32 65.729 37.501 1 T 2.595e+07 0.00e+00 a 0 0 0 0 33 67.678 32.177 1 T 1.165e+07 0.00e+00 a 0 0 0 0 34 67.333 33.695 1 T 9.849e+06 0.00e+00 a 0 0 0 0 35 64.969 33.259 1 T 2.127e+07 0.00e+00 a 0 0 0 0 36 62.306 32.470 1 T 1.688e+07 0.00e+00 a 0 0 0 0 37 67.914 26.373 1 T 1.459e+07 0.00e+00 a 0 0 0 0 38 67.597 24.682 1 T 1.481e+07 0.00e+00 a 0 0 0 0 39 70.138 27.358 1 T 9.634e+06 0.00e+00 a 0 0 0 0 40 70.287 25.313 1 T 1.345e+07 0.00e+00 a 0 0 0 0 41 70.112 26.506 1 T 1.545e+07 0.00e+00 a 0 0 0 0 42 70.371 21.224 1 T 2.205e+07 0.00e+00 a 0 0 0 0 43 64.896 22.005 1 T 1.590e+07 0.00e+00 a 0 0 0 0 44 64.432 56.238 1 T 1.340e+07 0.00e+00 a 0 0 0 0 45 65.657 56.038 1 T 1.386e+07 0.00e+00 a 0 0 0 0 46 65.705 55.652 1 T 1.811e+07 0.00e+00 a 0 0 0 0 47 67.518 55.357 1 T 1.191e+07 0.00e+00 a 0 0 0 0 48 66.922 55.224 1 T 1.904e+07 0.00e+00 a 0 0 0 0 49 66.734 52.647 1 T 1.419e+07 0.00e+00 a 0 0 0 0 50 66.710 45.019 1 T 1.282e+07 0.00e+00 a 0 0 0 0 51 66.411 45.492 1 T 9.940e+06 0.00e+00 a 0 0 0 0 52 66.408 44.576 1 T 1.144e+07 0.00e+00 a 0 0 0 0 53 66.356 44.121 1 T 1.185e+07 0.00e+00 a 0 0 0 0 55 66.306 42.185 1 T 1.092e+07 0.00e+00 a 0 0 0 0 56 66.265 42.040 1 T 1.076e+07 0.00e+00 a 0 0 0 0 57 62.187 44.644 1 T 1.023e+07 0.00e+00 a 0 0 0 0 58 64.537 51.707 1 T 2.068e+07 0.00e+00 a 0 0 0 0 59 62.353 59.424 1 T 1.708e+07 0.00e+00 a 0 0 0 0 60 59.520 62.396 1 T 1.383e+07 0.00e+00 a 0 0 0 0 61 62.018 52.431 1 T 2.725e+07 0.00e+00 a 0 0 0 0 62 61.970 53.285 1 T 1.002e+07 0.00e+00 a 0 0 0 0 63 62.480 54.699 1 T 2.701e+07 0.00e+00 a 0 0 0 0 64 62.441 54.985 1 T 2.453e+07 0.00e+00 a 0 0 0 0 65 62.942 54.002 1 T 1.601e+07 0.00e+00 a 0 0 0 0 66 63.453 53.845 1 T 1.954e+07 0.00e+00 a 0 0 0 0 67 63.381 54.382 1 T 1.457e+07 0.00e+00 a 0 0 0 0 68 63.578 55.478 1 T 1.440e+07 0.00e+00 a 0 0 0 0 69 62.945 55.814 1 T 1.225e+07 0.00e+00 a 0 0 0 0 70 64.521 53.338 1 T 2.498e+07 0.00e+00 a 0 0 0 0 71 49.840 64.521 1 T 1.543e+07 0.00e+00 a 0 0 0 0 72 51.701 64.522 1 T 2.758e+07 0.00e+00 a 0 0 0 0 73 53.292 64.556 1 T 2.675e+07 0.00e+00 a 0 0 0 0 74 55.387 63.571 1 T 1.213e+07 0.00e+00 a 0 0 0 0 75 55.122 62.431 1 T 2.023e+07 0.00e+00 a 0 0 0 0 76 55.006 62.442 1 T 2.141e+07 0.00e+00 a 0 0 0 0 77 54.916 62.444 1 T 2.201e+07 0.00e+00 a 0 0 0 0 78 54.644 62.328 1 T 2.127e+07 0.00e+00 a 0 0 0 0 79 54.200 63.187 1 T 1.870e+07 0.00e+00 a 0 0 0 0 80 54.140 62.865 1 T 1.984e+07 0.00e+00 a 0 0 0 0 81 53.971 63.492 1 T 1.814e+07 0.00e+00 a 0 0 0 0 82 53.805 63.503 1 T 1.741e+07 0.00e+00 a 0 0 0 0 83 56.107 70.023 1 T 1.709e+07 0.00e+00 a 0 0 0 0 84 53.967 70.049 1 T 1.171e+07 0.00e+00 a 0 0 0 0 85 53.206 70.220 1 T 2.187e+07 0.00e+00 a 0 0 0 0 86 52.440 70.220 1 T 5.080e+07 0.00e+00 a 0 0 0 0 87 55.717 69.248 1 T 1.166e+07 0.00e+00 a 0 0 0 0 88 59.297 70.269 1 T 2.040e+07 0.00e+00 a 0 0 0 0 89 56.874 71.535 1 T 1.054e+07 0.00e+00 a 0 0 0 0 90 55.118 71.430 1 T 2.443e+07 0.00e+00 a 0 0 0 0 91 55.014 71.434 1 T 2.555e+07 0.00e+00 a 0 0 0 0 92 57.981 72.329 1 T 1.079e+07 0.00e+00 a 0 0 0 0 93 57.905 72.365 1 T 1.081e+07 0.00e+00 a 0 0 0 0 94 62.408 42.629 1 T 1.011e+07 0.00e+00 a 0 0 0 0 95 62.559 42.374 1 T 1.247e+07 0.00e+00 a 0 0 0 0 96 63.298 42.524 1 T 9.832e+06 0.00e+00 a 0 0 0 0 97 63.274 39.203 1 T 1.015e+07 0.00e+00 a 0 0 0 0 98 64.502 26.581 1 T 1.185e+07 0.00e+00 a 0 0 0 0 99 64.377 25.318 1 T 9.701e+06 0.00e+00 a 0 0 0 0 100 62.462 26.136 1 T 1.060e+07 0.00e+00 a 0 0 0 0 101 57.536 24.332 1 T 1.715e+07 0.00e+00 a 0 0 0 0 102 60.083 32.238 1 T 1.180e+07 0.00e+00 a 0 0 0 0 103 60.069 36.328 1 T 1.700e+07 0.00e+00 a 0 0 0 0 104 58.887 35.739 1 T 1.254e+07 0.00e+00 a 0 0 0 0 105 59.369 33.119 1 T 1.088e+07 0.00e+00 a 0 0 0 0 106 51.321 34.635 1 T 1.227e+07 0.00e+00 a 0 0 0 0 107 52.283 47.637 1 T 1.233e+07 0.00e+00 a 0 0 0 0 108 48.015 52.846 1 T 1.250e+07 0.00e+00 a 0 0 0 0 109 47.673 52.429 1 T 1.316e+07 0.00e+00 a 0 0 0 0 110 51.135 45.379 1 T 1.088e+07 0.00e+00 a 0 0 0 0 111 47.670 25.407 1 T 2.170e+07 0.00e+00 a 0 0 0 0 112 43.222 22.153 1 T 1.612e+07 0.00e+00 a 0 0 0 0 113 42.267 21.279 1 T 9.719e+06 0.00e+00 a 0 0 0 0 114 41.161 21.322 1 T 1.023e+07 0.00e+00 a 0 0 0 0 115 39.657 21.331 1 T 1.768e+07 0.00e+00 a 0 0 0 0 116 42.594 24.197 1 T 2.485e+07 0.00e+00 a 0 0 0 0 117 42.236 24.574 1 T 2.310e+07 0.00e+00 a 0 0 0 0 118 39.395 23.431 1 T 2.153e+07 0.00e+00 a 0 0 0 0 119 39.234 24.332 1 T 1.063e+07 0.00e+00 a 0 0 0 0 121 70.194 53.271 1 T 1.795e+07 0.00e+00 a 0 0 0 0 122 70.219 52.404 1 T 4.056e+07 0.00e+00 a 0 0 0 0 123 39.168 33.980 1 T 2.117e+07 0.00e+00 a 0 0 0 0 124 23.528 20.137 1 T 1.577e+07 0.00e+00 a 0 0 0 0 125 27.550 21.934 1 T 2.110e+07 0.00e+00 a 0 0 0 0 126 26.683 21.216 1 T 3.533e+07 0.00e+00 a 0 0 0 0 127 21.895 27.753 1 T 1.849e+07 0.00e+00 a 0 0 0 0 128 22.064 27.323 1 T 1.772e+07 0.00e+00 a 0 0 0 0 129 22.399 26.686 1 T 2.274e+07 0.00e+00 a 0 0 0 0 130 22.261 26.613 1 T 2.195e+07 0.00e+00 a 0 0 0 0 131 26.016 22.554 1 T 2.317e+07 0.00e+00 a 0 0 0 0 132 26.457 22.064 1 T 2.085e+07 0.00e+00 a 0 0 0 0 133 26.637 22.504 1 T 1.386e+07 0.00e+00 a 0 0 0 0 134 20.234 23.631 1 T 2.038e+07 0.00e+00 a 0 0 0 0 135 24.337 39.260 1 T 1.606e+07 0.00e+00 a 0 0 0 0 136 23.498 39.327 1 T 1.835e+07 0.00e+00 a 0 0 0 0 137 24.437 37.180 1 T 1.084e+07 0.00e+00 a 0 0 0 0 138 24.328 37.665 1 T 1.228e+07 0.00e+00 a 0 0 0 0 139 24.179 37.799 1 T 1.259e+07 0.00e+00 a 0 0 0 0 140 37.761 24.443 1 T 1.165e+07 0.00e+00 a 0 0 0 0 141 37.724 24.155 1 T 1.194e+07 0.00e+00 a 0 0 0 0 142 23.836 33.158 1 T 1.603e+07 0.00e+00 a 0 0 0 0 143 23.945 34.925 1 T 1.948e+07 0.00e+00 a 0 0 0 0 144 24.330 35.378 1 T 1.615e+07 0.00e+00 a 0 0 0 0 145 23.552 34.480 1 T 1.188e+07 0.00e+00 a 0 0 0 0 146 24.324 34.656 1 T 1.193e+07 0.00e+00 a 0 0 0 0 147 24.641 34.926 1 T 1.506e+07 0.00e+00 a 0 0 0 0 148 22.063 33.675 1 T 1.426e+07 0.00e+00 a 0 0 0 0 149 21.959 33.269 1 T 1.800e+07 0.00e+00 a 0 0 0 0 150 22.552 33.032 1 T 1.056e+07 0.00e+00 a 0 0 0 0 151 22.426 32.984 1 T 1.012e+07 0.00e+00 a 0 0 0 0 152 22.756 32.472 1 T 1.296e+07 0.00e+00 a 0 0 0 0 153 21.984 32.518 1 T 1.412e+07 0.00e+00 a 0 0 0 0 154 33.275 21.990 1 T 1.468e+07 0.00e+00 a 0 0 0 0 155 22.170 42.950 1 T 1.657e+07 0.00e+00 a 0 0 0 0 156 22.216 42.652 1 T 1.864e+07 0.00e+00 a 0 0 0 0 157 22.068 43.219 1 T 1.827e+07 0.00e+00 a 0 0 0 0 158 21.343 39.987 1 T 1.442e+07 0.00e+00 a 0 0 0 0 159 21.343 39.626 1 T 9.851e+06 0.00e+00 a 0 0 0 0 160 14.507 39.211 1 T 1.311e+07 0.00e+00 a 0 0 0 0 161 47.995 15.930 1 T 1.038e+07 0.00e+00 a 0 0 0 0 162 49.872 15.791 1 T 8.759e+06 0.00e+00 a 0 0 0 0 163 15.778 49.443 1 T 1.168e+07 0.00e+00 a 0 0 0 0 164 42.711 37.145 1 T 1.325e+07 0.00e+00 a 0 0 0 0 165 42.333 37.129 1 T 1.325e+07 0.00e+00 a 0 0 0 0 166 43.011 39.257 1 T 1.600e+07 0.00e+00 a 0 0 0 0 167 44.693 37.370 1 T 1.748e+07 0.00e+00 a 0 0 0 0 168 44.520 36.612 1 T 1.238e+07 0.00e+00 a 0 0 0 0 169 43.632 36.212 1 T 1.392e+07 0.00e+00 a 0 0 0 0 170 43.212 35.818 1 T 1.554e+07 0.00e+00 a 0 0 0 0 171 45.188 33.686 1 T 1.926e+07 0.00e+00 a 0 0 0 0 172 44.252 33.750 1 T 9.290e+06 0.00e+00 a 0 0 0 0 173 45.193 32.337 1 T 1.090e+07 0.00e+00 a 0 0 0 0 175 57.706 18.319 1 T 1.017e+07 0.00e+00 a 0 0 0 0 176 56.951 18.361 1 T 1.150e+07 0.00e+00 a 0 0 0 0 177 54.329 22.029 1 T 1.806e+07 0.00e+00 a 0 0 0 0 178 54.863 21.810 1 T 2.102e+07 0.00e+00 a 0 0 0 0 179 55.053 22.127 1 T 1.652e+07 0.00e+00 a 0 0 0 0 180 56.360 22.359 1 T 1.502e+07 0.00e+00 a 0 0 0 0 181 55.844 22.079 1 T 1.048e+07 0.00e+00 a 0 0 0 0 182 56.383 21.207 1 T 1.387e+07 0.00e+00 a 0 0 0 0 183 56.760 23.842 1 T 1.781e+07 0.00e+00 a 0 0 0 0 184 55.755 23.965 1 T 2.184e+07 0.00e+00 a 0 0 0 0 185 55.760 23.483 1 T 3.317e+07 0.00e+00 a 0 0 0 0 187 59.137 52.813 1 T 1.584e+07 0.00e+00 a 0 0 0 0 188 52.742 59.344 1 T 1.892e+07 0.00e+00 a 0 0 0 0 189 52.399 62.039 1 T 2.627e+07 0.00e+00 a 0 0 0 0 190 52.698 57.989 1 T 2.153e+07 0.00e+00 a 0 0 0 0 191 57.860 52.837 1 T 2.061e+07 0.00e+00 a 0 0 0 0 192 58.088 52.431 1 T 1.701e+07 0.00e+00 a 0 0 0 0 193 56.415 52.836 1 T 2.480e+07 0.00e+00 a 0 0 0 0 194 56.029 52.825 1 T 2.770e+07 0.00e+00 a 0 0 0 0 195 51.081 55.203 1 T 1.623e+07 0.00e+00 a 0 0 0 0 196 52.837 56.226 1 T 3.178e+07 0.00e+00 a 0 0 0 0 197 53.029 55.812 1 T 3.211e+07 0.00e+00 a 0 0 0 0 198 51.152 52.967 1 T 2.512e+07 0.00e+00 a 0 0 0 0 199 58.919 54.035 1 T 1.711e+07 0.00e+00 a 0 0 0 0 200 60.083 56.158 1 T 3.857e+07 0.00e+00 a 0 0 0 0 201 60.099 55.378 1 T 2.837e+07 0.00e+00 a 0 0 0 0 202 59.761 54.220 1 T 2.310e+07 0.00e+00 a 0 0 0 0 203 58.749 54.839 1 T 2.087e+07 0.00e+00 a 0 0 0 0 204 58.107 54.574 1 T 1.867e+07 0.00e+00 a 0 0 0 0 205 56.688 53.554 1 T 2.840e+07 0.00e+00 a 0 0 0 0 206 58.744 55.437 1 T 2.384e+07 0.00e+00 a 0 0 0 0 207 57.984 55.931 1 T 6.503e+07 0.00e+00 a 0 0 0 0 208 59.274 55.109 1 T 2.665e+07 0.00e+00 a 0 0 0 0 209 54.330 57.866 1 T 1.703e+07 0.00e+00 a 0 0 0 0 210 53.532 57.893 1 T 1.425e+07 0.00e+00 a 0 0 0 0 211 54.281 59.981 1 T 2.370e+07 0.00e+00 a 0 0 0 0 212 55.125 59.533 1 T 2.881e+07 0.00e+00 a 0 0 0 0 213 55.018 59.546 1 T 2.985e+07 0.00e+00 a 0 0 0 0 214 57.073 59.334 1 T 1.639e+07 0.00e+00 a 0 0 0 0 215 56.429 59.213 1 T 1.707e+07 0.00e+00 a 0 0 0 0 216 56.003 60.077 1 T 3.474e+07 0.00e+00 a 0 0 0 0 217 55.856 58.026 1 T 6.274e+07 0.00e+00 a 0 0 0 0 218 55.121 58.753 1 T 1.869e+07 0.00e+00 a 0 0 0 0 219 54.945 58.773 1 T 2.041e+07 0.00e+00 a 0 0 0 0 220 54.873 57.739 1 T 2.337e+07 0.00e+00 a 0 0 0 0 221 54.646 58.458 1 T 1.133e+07 0.00e+00 a 0 0 0 0 222 59.631 58.153 1 T 2.060e+07 0.00e+00 a 0 0 0 0 223 58.163 59.527 1 T 2.858e+07 0.00e+00 a 0 0 0 0 224 65.691 62.928 1 T 1.233e+07 0.00e+00 a 0 0 0 0 225 64.695 61.976 1 T 1.465e+07 0.00e+00 a 0 0 0 0 226 64.373 62.535 1 T 1.521e+07 0.00e+00 a 0 0 0 0 227 64.322 62.925 1 T 1.785e+07 0.00e+00 a 0 0 0 0 228 61.873 64.684 1 T 1.441e+07 0.00e+00 a 0 0 0 0 229 61.710 64.345 1 T 1.372e+07 0.00e+00 a 0 0 0 0 230 62.648 64.482 1 T 1.747e+07 0.00e+00 a 0 0 0 0 231 62.822 65.773 1 T 1.492e+07 0.00e+00 a 0 0 0 0 232 62.929 69.293 1 T 1.819e+07 0.00e+00 a 0 0 0 0 233 69.284 62.935 1 T 2.166e+07 0.00e+00 a 0 0 0 0 234 64.530 59.365 1 T 2.358e+07 0.00e+00 a 0 0 0 0 235 59.314 64.505 1 T 1.818e+07 0.00e+00 a 0 0 0 0 236 55.719 65.650 1 T 1.335e+07 0.00e+00 a 0 0 0 0 237 58.005 62.866 1 T 1.033e+07 0.00e+00 a 0 0 0 0 238 45.016 66.348 1 T 1.183e+07 0.00e+00 a 0 0 0 0 239 44.002 66.331 1 T 1.086e+07 0.00e+00 a 0 0 0 0 240 44.651 71.318 1 T 1.272e+07 0.00e+00 a 0 0 0 0 241 42.334 71.355 1 T 1.962e+07 0.00e+00 a 0 0 0 0 242 42.781 71.331 1 T 1.633e+07 0.00e+00 a 0 0 0 0 243 42.465 70.115 1 T 9.273e+06 0.00e+00 a 0 0 0 0 244 42.304 70.080 1 T 9.283e+06 0.00e+00 a 0 0 0 0 245 39.730 70.323 1 T 1.089e+07 0.00e+00 a 0 0 0 0 246 39.346 69.908 1 T 1.190e+07 0.00e+00 a 0 0 0 0 247 36.894 70.448 1 T 2.358e+07 0.00e+00 a 0 0 0 0 248 37.035 70.997 1 T 1.177e+07 0.00e+00 a 0 0 0 0 249 37.462 69.219 1 T 2.509e+07 0.00e+00 a 0 0 0 0 250 37.478 65.731 1 T 2.416e+07 0.00e+00 a 0 0 0 0 251 36.771 64.525 1 T 1.257e+07 0.00e+00 a 0 0 0 0 252 45.352 63.568 1 T 1.124e+07 0.00e+00 a 0 0 0 0 253 45.311 62.759 1 T 8.749e+06 0.00e+00 a 0 0 0 0 254 44.622 63.399 1 T 8.998e+06 0.00e+00 a 0 0 0 0 255 42.340 63.296 1 T 1.127e+07 0.00e+00 a 0 0 0 0 256 39.610 63.352 1 T 1.171e+07 0.00e+00 a 0 0 0 0 257 38.072 63.404 1 T 1.064e+07 0.00e+00 a 0 0 0 0 258 42.160 62.521 1 T 9.897e+06 0.00e+00 a 0 0 0 0 259 39.433 59.464 1 T 1.395e+07 0.00e+00 a 0 0 0 0 260 36.953 60.086 1 T 3.106e+07 0.00e+00 a 0 0 0 0 261 32.931 59.405 1 T 1.150e+07 0.00e+00 a 0 0 0 0 262 35.618 59.620 1 T 1.058e+07 0.00e+00 a 0 0 0 0 263 35.936 58.697 1 T 1.047e+07 0.00e+00 a 0 0 0 0 265 28.625 61.015 1 T 1.901e+07 0.00e+00 a 0 0 0 0 266 24.650 62.836 1 T 2.498e+07 0.00e+00 a 0 0 0 0 267 24.113 60.794 1 T 1.188e+07 0.00e+00 a 0 0 0 0 268 24.386 60.041 1 T 1.131e+07 0.00e+00 a 0 0 0 0 269 33.042 71.309 1 T 2.236e+07 0.00e+00 a 0 0 0 0 270 32.602 71.346 1 T 1.611e+07 0.00e+00 a 0 0 0 0 271 29.680 70.255 1 T 1.089e+07 0.00e+00 a 0 0 0 0 272 28.335 71.302 1 T 3.492e+07 0.00e+00 a 0 0 0 0 273 33.746 67.323 1 T 9.217e+06 0.00e+00 a 0 0 0 0 274 31.947 67.904 1 T 1.174e+07 0.00e+00 a 0 0 0 0 275 26.667 70.166 1 T 1.726e+07 0.00e+00 a 0 0 0 0 276 25.300 70.289 1 T 1.478e+07 0.00e+00 a 0 0 0 0 277 24.628 71.378 1 T 1.236e+07 0.00e+00 a 0 0 0 0 278 24.741 67.559 1 T 1.028e+07 0.00e+00 a 0 0 0 0 279 21.262 64.616 1 T 1.978e+07 0.00e+00 a 0 0 0 0 280 64.402 21.369 1 T 1.063e+07 0.00e+00 a 0 0 0 0 281 52.478 21.991 1 T 1.969e+07 0.00e+00 a 0 0 0 0 282 51.261 21.984 1 T 1.163e+07 0.00e+00 a 0 0 0 0 284 33.569 17.065 1 T 1.973e+07 0.00e+00 a 0 0 0 0 285 32.826 17.104 1 T 1.720e+07 0.00e+00 a 0 0 0 0 286 37.856 17.061 1 T 1.046e+07 0.00e+00 a 0 0 0 0 287 42.241 18.467 1 T 1.263e+07 0.00e+00 a 0 0 0 0 288 40.241 18.326 1 T 8.638e+06 0.00e+00 a 0 0 0 0 289 39.782 18.413 1 T 8.962e+06 0.00e+00 a 0 0 0 0 290 18.691 38.504 1 T 9.251e+06 0.00e+00 a 0 0 0 0 291 18.505 40.662 1 T 1.026e+07 0.00e+00 a 0 0 0 0 292 18.435 40.659 1 T 1.028e+07 0.00e+00 a 0 0 0 0 293 18.387 42.191 1 T 1.087e+07 0.00e+00 a 0 0 0 0 294 18.365 40.186 1 T 1.079e+07 0.00e+00 a 0 0 0 0 295 18.310 39.184 1 T 1.152e+07 0.00e+00 a 0 0 0 0 296 17.361 33.145 1 T 9.315e+06 0.00e+00 a 0 0 0 0 297 17.144 34.628 1 T 9.336e+06 0.00e+00 a 0 0 0 0 298 16.928 33.883 1 T 1.051e+07 0.00e+00 a 0 0 0 0 301 39.336 42.948 1 T 1.294e+07 0.00e+00 a 0 0 0 0 302 39.352 42.375 1 T 2.327e+07 0.00e+00 a 0 0 0 0 303 37.546 44.395 1 T 1.630e+07 0.00e+00 a 0 0 0 0 304 37.158 42.972 1 T 1.533e+07 0.00e+00 a 0 0 0 0 305 36.955 43.620 1 T 1.072e+07 0.00e+00 a 0 0 0 0 306 35.924 43.568 1 T 1.227e+07 0.00e+00 a 0 0 0 0 307 35.958 43.062 1 T 1.286e+07 0.00e+00 a 0 0 0 0 308 32.149 45.205 1 T 1.135e+07 0.00e+00 a 0 0 0 0 309 33.863 44.287 1 T 1.310e+07 0.00e+00 a 0 0 0 0 310 33.867 44.738 1 T 1.383e+07 0.00e+00 a 0 0 0 0 311 33.832 45.072 1 T 1.600e+07 0.00e+00 a 0 0 0 0 312 46.967 26.786 1 T 2.085e+07 0.00e+00 a 0 0 0 0 313 46.831 24.601 1 T 1.335e+07 0.00e+00 a 0 0 0 0 314 32.463 51.699 1 T 1.783e+07 0.00e+00 a 0 0 0 0 315 34.674 51.371 1 T 1.368e+07 0.00e+00 a 0 0 0 0 316 18.401 56.828 1 T 1.768e+07 0.00e+00 a 0 0 0 0 317 18.374 57.339 1 T 9.703e+06 0.00e+00 a 0 0 0 0 318 21.972 51.237 1 T 2.078e+07 0.00e+00 a 0 0 0 0 319 21.944 52.420 1 T 1.906e+07 0.00e+00 a 0 0 0 0 320 22.717 52.389 1 T 1.130e+07 0.00e+00 a 0 0 0 0 321 22.410 52.411 1 T 9.889e+06 0.00e+00 a 0 0 0 0 322 22.091 53.328 1 T 1.290e+07 0.00e+00 a 0 0 0 0 323 22.158 54.465 1 T 2.246e+07 0.00e+00 a 0 0 0 0 324 21.964 54.826 1 T 2.331e+07 0.00e+00 a 0 0 0 0 325 22.072 55.837 1 T 2.044e+07 0.00e+00 a 0 0 0 0 327 21.515 54.098 1 T 1.021e+07 0.00e+00 a 0 0 0 0 328 22.416 55.190 1 T 1.561e+07 0.00e+00 a 0 0 0 0 329 24.358 57.488 1 T 1.891e+07 0.00e+00 a 0 0 0 0 330 23.768 56.774 1 T 2.608e+07 0.00e+00 a 0 0 0 0 332 41.084 72.392 1 T 9.164e+06 0.00e+00 a 0 0 0 0 334 44.079 59.607 1 T 1.531e+07 0.00e+00 a 0 0 0 0 335 59.675 44.141 1 T 1.158e+07 0.00e+00 a 0 0 0 0 337 39.240 14.009 1 T 1.061e+07 0.00e+00 a 0 0 0 0 338 39.792 14.321 1 T 9.558e+06 0.00e+00 a 0 0 0 0 339 33.333 64.947 1 T 1.872e+07 0.00e+00 a 0 0 0 0 340 29.717 64.329 1 T 1.435e+07 0.00e+00 a 0 0 0 0 341 45.228 42.752 1 T 2.124e+07 0.00e+00 a 0 0 0 0 345 25.907 47.360 1 T 1.092e+07 0.00e+00 a 0 0 0 0 346 25.277 47.717 1 T 9.420e+06 0.00e+00 a 0 0 0 0 347 24.357 46.716 1 T 1.018e+07 0.00e+00 a 0 0 0 0 348 47.326 26.206 1 T 1.579e+07 0.00e+00 a 0 0 0 0 349 47.632 26.920 1 T 1.263e+07 0.00e+00 a 0 0 0 0 350 48.433 23.687 1 T 1.033e+07 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 1 . . C 13 C . . 220 ppm . . . 95 . . 34088 13 2 . . C 13 C . . 220 ppm . . . 95 . . 34088 13 stop_ save_