######################### # 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 30420 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 h 1 3.795 9.922 1 T 2.701e+06 0.00e+00 a 0 504 502 0 2 3.991 9.922 1 T 6.470e+06 0.00e+00 a 0 506 502 0 3 1.053 9.922 1 T 1.199e+06 0.00e+00 a 0 507 502 0 4 3.795 3.991 1 T 5.774e+06 0.00e+00 a 0 504 506 0 5 1.053 3.991 1 T 4.965e+06 0.00e+00 a 0 507 506 0 6 1.053 3.795 1 T 5.509e+06 0.00e+00 a 0 507 504 0 7 4.855 9.191 1 T 1.554e+06 0.00e+00 a 0 518 516 0 8 3.991 9.192 1 T 3.686e+06 0.00e+00 a 0 506 516 0 9 3.795 9.192 1 T 8.685e+05 0.00e+00 a 0 504 516 0 10 1.052 9.192 1 T 1.190e+06 0.00e+00 a 0 507 516 0 11 2.861 9.192 1 T 6.015e+06 0.00e+00 a 0 520 516 0 12 3.299 9.192 1 T 2.080e+06 0.00e+00 a 0 521 516 0 15 4.855 3.299 1 T 7.994e+05 0.00e+00 a 0 518 521 0 16 4.855 2.862 1 T 7.991e+05 0.00e+00 a 0 518 520 0 17 4.852 7.716 1 T 6.982e+05 0.00e+00 a 0 518 527 0 20 4.005 7.716 1 T 7.858e+06 0.00e+00 a 0 531 527 0 22 4.005 8.821 1 T 3.559e+06 0.00e+00 a 0 531 534 0 23 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1 T 2.236e+06 0.00e+00 a 0 474 481 0 45 7.749 9.156 1 T 2.532e+06 0.00e+00 a 0 481 471 0 47 5.282 8.135 1 T 1.832e+06 0.00e+00 a 0 462 460 0 48 5.282 9.156 1 T 3.551e+06 0.00e+00 a 0 462 471 0 49 8.134 9.155 1 T 2.900e+06 0.00e+00 a 0 460 471 0 52 3.393 8.136 1 T 2.283e+06 0.00e+00 a 0 464 460 0 53 3.183 8.136 1 T 8.662e+05 0.00e+00 a 0 465 460 0 54 5.282 3.394 1 T 1.380e+06 0.00e+00 a 0 462 464 0 55 5.282 3.183 1 T 1.858e+06 0.00e+00 a 0 462 465 0 56 4.551 8.135 1 T 7.458e+05 0.00e+00 a 0 447 460 0 57 4.551 7.155 1 T 2.384e+06 0.00e+00 a 0 447 445 0 61 8.134 7.154 1 T 5.216e+06 0.00e+00 a 0 460 445 0 62 1.562 7.155 1 T 9.865e+06 0.00e+00 a 0 449 445 0 63 0.864 7.155 1 T 3.753e+06 0.00e+00 a 0 450 445 0 64 1.562 8.135 1 T 7.239e+05 0.00e+00 a 0 449 460 0 65 0.864 8.135 1 T 4.556e+05 0.00e+00 a 0 450 460 0 66 4.551 1.561 1 T 1.430e+06 0.00e+00 a 0 447 449 0 67 4.551 0.864 1 T 1.403e+06 0.00e+00 a 0 447 450 0 70 4.133 7.711 1 T 3.550e+06 0.00e+00 a 0 420 418 0 71 7.711 7.155 1 T 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6.969 1 T 2.201e+06 0.00e+00 a 0 449 455 0 686 1.520 6.970 1 T 1.427e+06 0.00e+00 a 0 427 455 0 688 8.044 0.662 1 T 4.303e+05 0.00e+00 a 0 206 259 0 689 7.909 0.662 1 T 3.536e+05 0.00e+00 a 0 242 259 0 690 7.909 0.615 1 T 2.439e+05 0.00e+00 a 0 242 258 0 691 3.979 0.661 1 T 5.869e+05 0.00e+00 a 0 248 259 0 693 3.979 0.614 1 T 1.255e+06 0.00e+00 a 0 248 258 0 694 3.747 0.662 1 T 5.708e+06 0.00e+00 a 0 208 259 0 695 3.747 0.616 1 T 4.731e+05 0.00e+00 a 0 208 258 0 696 4.497 0.662 1 T 2.021e+06 0.00e+00 a 0 255 259 0 697 4.496 0.616 1 T 4.968e+06 0.00e+00 a 0 255 258 0 701 2.376 0.662 1 T 1.015e+07 0.00e+00 a 0 257 259 0 702 2.376 0.615 1 T 7.862e+06 0.00e+00 a 0 257 258 0 703 2.376 3.747 1 T 1.701e+05 0.00e+00 a 0 257 208 0 704 0.474 6.877 1 T 4.925e+05 0.00e+00 a 0 351 376 0 705 0.864 7.065 1 T 1.700e+06 0.00e+00 a 0 450 86 0 707 1.813 7.247 1 T 4.302e+05 0.00e+00 a 0 346 375 0 708 1.328 7.246 1 T 1.563e+06 0.00e+00 a 0 347 375 0 711 0.846 7.247 1 T 4.476e+06 0.00e+00 a 0 209 375 0 713 0.476 7.247 1 T 4.453e+05 0.00e+00 a 0 351 375 0 715 8.847 0.846 1 T 6.857e+05 0.00e+00 a 0 48 486 0 716 8.847 0.797 1 T 6.287e+05 0.00e+00 a 0 48 495 0 719 8.595 0.661 1 T 1.692e+05 0.00e+00 a 0 293 259 0 720 1.586 8.597 1 T 1.921e+05 0.00e+00 a 0 224 293 0 721 5.282 8.851 1 T 1.709e+05 0.00e+00 a 0 462 48 0 722 5.226 6.873 1 T 1.308e+05 0.00e+00 a 0 80 376 0 724 4.428 9.170 1 T 1.916e+05 0.00e+00 a 0 141 127 0 726 2.946 8.134 1 T 2.523e+05 0.00e+00 a 0 373 460 0 727 3.094 8.134 1 T 1.257e+05 0.00e+00 a 0 372 460 0 730 3.905 8.396 1 T 1.810e+06 0.00e+00 a 0 328 392 0 733 3.836 8.396 1 T 2.416e+05 0.00e+00 a 0 344 392 0 734 3.494 8.077 1 T 2.355e+05 0.00e+00 a 0 113 78 0 736 3.286 8.246 1 T 3.352e+05 0.00e+00 a 0 82 60 0 737 3.165 8.246 1 T 4.116e+05 0.00e+00 a 0 83 60 0 738 3.286 8.416 1 T 3.678e+05 0.00e+00 a 0 82 151 0 741 1.806 0.849 1 T 2.256e+05 0.00e+00 a 0 485 486 0 742 1.807 0.799 1 T 1.307e+06 0.00e+00 a 0 485 495 0 743 1.414 0.798 1 T 6.265e+06 0.00e+00 a 0 492 495 0 744 1.120 0.800 1 T 5.605e+06 0.00e+00 a 0 493 495 0 745 7.748 0.796 1 T 4.847e+05 0.00e+00 a 0 481 495 0 747 7.748 0.848 1 T 1.038e+06 0.00e+00 a 0 481 486 0 748 1.120 7.748 1 T 1.484e+06 0.00e+00 a 0 493 481 0 749 1.415 7.749 1 T 1.301e+06 0.00e+00 a 0 492 481 0 750 1.120 9.921 1 T 3.094e+05 0.00e+00 a 0 493 502 0 751 1.414 9.922 1 T 3.431e+05 0.00e+00 a 0 492 502 0 752 1.492 9.922 1 T 3.536e+05 0.00e+00 a 0 474 502 0 754 0.849 9.921 1 T 2.274e+06 0.00e+00 a 0 486 502 0 756 9.920 0.797 1 T 1.808e+05 0.00e+00 a 0 502 495 0 758 4.085 0.849 1 T 3.504e+06 0.00e+00 a 0 483 486 0 760 4.085 1.806 1 T 1.043e+06 0.00e+00 a 0 483 485 0 761 4.085 1.120 1 T 8.712e+05 0.00e+00 a 0 483 493 0 764 3.285 1.279 1 T 1.113e+06 0.00e+00 a 0 82 142 0 765 3.168 1.279 1 T 2.112e+06 0.00e+00 a 0 83 142 0 769 3.180 1.052 1 T 1.230e+06 0.00e+00 a 0 465 507 0 771 2.922 3.798 1 T 1.363e+06 0.00e+00 a 0 157 504 0 775 1.051 2.925 1 T 4.756e+06 0.00e+00 a 0 507 157 0 776 2.923 1.053 1 T 5.540e+06 0.00e+00 a 0 157 507 0 777 3.395 1.052 1 T 3.958e+05 0.00e+00 a 0 464 507 0 778 2.913 3.905 1 T 8.645e+05 0.00e+00 a 0 410 328 0 780 4.783 1.051 1 T 9.438e+05 0.00e+00 a 0 153 507 0 781 4.782 0.846 1 T 2.253e+06 0.00e+00 a 0 153 209 0 783 1.051 9.273 1 T 9.395e+05 0.00e+00 a 0 507 162 0 784 0.847 9.273 1 T 2.362e+05 0.00e+00 a 0 209 162 0 785 2.942 0.846 1 T 1.382e+06 0.00e+00 a 0 373 209 0 786 2.815 0.846 1 T 1.599e+06 0.00e+00 a 0 283 209 0 788 2.109 0.847 1 T 3.088e+06 0.00e+00 a 0 282 209 0 789 2.107 0.662 1 T 1.623e+06 0.00e+00 a 0 282 259 0 790 2.814 0.662 1 T 5.919e+05 0.00e+00 a 0 283 259 0 791 1.927 1.052 1 T 2.202e+06 0.00e+00 a 0 222 507 0 792 1.717 1.053 1 T 1.774e+06 0.00e+00 a 0 228 507 0 793 1.586 1.053 1 T 4.927e+06 0.00e+00 a 0 224 507 0 794 1.052 8.052 1 T 1.296e+06 0.00e+00 a 0 507 216 0 796 1.613 1.052 1 T 4.441e+06 0.00e+00 a 0 229 507 0 799 0.860 2.056 1 T 1.406e+06 0.00e+00 a 0 450 64 0 800 0.845 7.810 1 T 6.020e+05 0.00e+00 a 0 209 189 0 804 2.921 5.286 1 T 2.976e+05 0.00e+00 a 0 157 462 0 805 2.720 5.282 1 T 3.503e+05 0.00e+00 a 0 52 462 0 806 3.108 5.285 1 T 9.854e+05 0.00e+00 a 0 53 462 0 807 1.813 6.876 1 T 2.185e+05 0.00e+00 a 0 346 376 0 808 1.103 6.875 1 T 2.329e+05 0.00e+00 a 0 350 376 0 811 0.845 6.873 1 T 2.369e+06 0.00e+00 a 0 209 376 0 812 1.282 6.874 1 T 3.436e+06 0.00e+00 a 0 142 376 0 813 3.748 6.875 1 T 1.783e+05 0.00e+00 a 0 208 376 0 815 5.033 6.875 1 T 1.221e+05 0.00e+00 a 0 280 376 0 818 1.104 7.063 1 T 1.391e+06 0.00e+00 a 0 350 86 0 819 1.466 8.417 1 T 6.985e+05 0.00e+00 a 0 130 151 0 820 3.004 7.598 1 T 4.915e+05 0.00e+00 a 0 234 239 0 822 3.836 7.149 1 T 2.351e+06 0.00e+00 a 0 344 456 0 824 3.394 7.149 1 T 2.487e+05 0.00e+00 a 0 464 456 0 825 4.071 7.149 1 T 2.973e+06 0.00e+00 a 0 370 456 0 826 2.055 7.149 1 T 2.946e+05 0.00e+00 a 0 64 456 0 828 1.324 0.482 1 T 8.884e+05 0.00e+00 a 0 347 351 0 832 1.282 8.043 1 T 4.142e+05 0.00e+00 a 0 142 206 0 840 1.103 6.969 1 T 9.128e+05 0.00e+00 a 0 350 455 0 841 0.997 6.969 1 T 1.510e+05 0.00e+00 a 0 66 455 0 843 1.102 7.238 1 T 4.060e+05 0.00e+00 a 0 350 85 0 844 1.103 7.151 1 T 1.883e+06 0.00e+00 a 0 350 456 0 845 7.312 8.539 1 T 3.205e+04 0.00e+00 a 0 202 203 0 846 7.130 7.801 1 T 2.973e+05 0.00e+00 a 0 368 315 0 851 8.076 7.063 1 T 2.767e+05 0.00e+00 a 0 78 86 0 853 8.396 7.247 1 T 8.014e+05 0.00e+00 a 0 392 375 0 854 8.200 7.569 1 T 2.094e+05 0.00e+00 a 0 278 304 0 855 8.139 7.708 1 T 2.040e+05 0.00e+00 a 0 460 418 0 869 7.046 8.196 1 T 2.320e+05 0.00e+00 a 0 289 278 0 871 1.494 5.282 1 T 2.731e+05 0.00e+00 a 0 474 462 0 872 1.047 5.285 1 T 1.833e+05 0.00e+00 a 0 507 462 0 873 1.494 8.339 1 T 1.555e+06 0.00e+00 a 0 474 22 0 874 1.112 8.339 1 T 3.741e+05 0.00e+00 a 0 493 22 0 875 0.801 8.338 1 T 2.952e+05 0.00e+00 a 0 495 22 0 877 0.849 9.189 1 T 3.131e+05 0.00e+00 a 0 486 516 0 878 0.849 9.156 1 T 1.807e+05 0.00e+00 a 0 486 471 0 879 1.059 9.154 1 T 3.589e+05 0.00e+00 a 0 65 471 0 881 1.481 9.272 1 T 6.994e+05 0.00e+00 a 0 120 162 0 882 1.812 9.185 1 T 4.798e+05 0.00e+00 a 0 346 326 0 883 1.119 8.848 1 T 7.085e+05 0.00e+00 a 0 493 48 0 888 3.092 4.269 1 T 8.411e+05 0.00e+00 a 0 372 321 0 889 2.946 4.269 1 T 5.232e+05 0.00e+00 a 0 373 321 0 891 4.428 3.263 1 T 1.243e+06 0.00e+00 a 0 141 175 0 892 4.428 3.282 1 T 1.388e+06 0.00e+00 a 0 141 82 0 893 3.170 4.433 1 T 8.579e+05 0.00e+00 a 0 83 141 0 895 4.615 0.796 1 T 1.690e+06 0.00e+00 a 0 24 495 0 896 4.615 1.121 1 T 1.134e+06 0.00e+00 a 0 24 493 0 897 4.549 2.057 1 T 2.384e+06 0.00e+00 a 0 447 64 0 909 2.874 7.063 1 T 1.181e+06 0.00e+00 a 0 358 86 0 914 3.359 9.271 1 T 5.815e+05 0.00e+00 a 0 195 162 0 915 3.359 7.910 1 T 2.299e+05 0.00e+00 a 0 195 242 0 916 1.329 4.268 1 T 5.965e+05 0.00e+00 a 0 347 321 0 917 1.815 4.271 1 T 3.955e+05 0.00e+00 a 0 346 321 0 919 1.577 4.350 1 T 5.599e+05 0.00e+00 a 0 406 306 0 920 1.299 4.349 1 T 2.173e+05 0.00e+00 a 0 402 306 0 922 0.479 4.083 1 T 2.617e+05 0.00e+00 a 0 351 139 0 928 3.355 7.307 1 T 2.449e+06 0.00e+00 a 0 195 202 0 929 2.325 3.101 1 T 4.016e+05 0.00e+00 a 0 336 432 0 930 3.074 9.189 1 T 2.150e+05 0.00e+00 a 0 298 516 0 939 2.107 7.571 1 T 1.314e+05 0.00e+00 a 0 282 304 0 940 2.815 7.571 1 T 1.492e+05 0.00e+00 a 0 283 304 0 941 7.774 1.449 1 T 4.829e+06 0.00e+00 a 0 544 537 0 942 8.596 8.199 1 T 3.531e+06 0.00e+00 a 0 293 278 0 945 2.815 7.413 1 T 7.540e+04 0.00e+00 a 0 283 271 0 946 1.612 7.911 1 T 1.566e+06 0.00e+00 a 0 229 242 0 947 3.299 8.598 1 T 8.379e+04 0.00e+00 a 0 521 293 0 948 2.925 8.136 1 T 2.260e+05 0.00e+00 a 0 157 460 0 950 7.221 8.418 1 T 7.164e+06 0.00e+00 a 0 137 151 0 952 7.711 7.132 1 T 1.429e+06 0.00e+00 a 0 418 368 0 957 2.561 8.418 1 T 1.098e+05 0.00e+00 a 0 105 151 0 958 2.135 8.418 1 T 1.858e+05 0.00e+00 a 0 111 151 0 959 1.980 8.418 1 T 4.244e+05 0.00e+00 a 0 106 151 0 960 2.135 7.222 1 T 8.236e+05 0.00e+00 a 0 111 137 0 961 3.495 7.223 1 T 9.208e+05 0.00e+00 a 0 113 137 0 962 1.052 7.907 1 T 2.405e+05 0.00e+00 a 0 507 242 0 970 2.916 9.922 1 T 7.259e+05 0.00e+00 a 0 157 502 0 974 4.374 8.821 1 T 1.697e+05 0.00e+00 a 0 546 534 0 976 2.109 8.043 1 T 2.215e+05 0.00e+00 a 0 282 206 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . folded 13 ppm . . . 4.697 . . 30420 1 2 . . H 1 H . folded 13 ppm . . . 4.697 . . 30420 1 stop_ save_