######################### # 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 34138 _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 '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 1H # INAME 2 1H 2 7.588 7.588 1 U 0.000e+000 0.00e+000 - 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0 47 47 0 721 1.902 3.202 1 U 2.229e+003 0.00e+000 e 0 37 47 0 722 1.784 3.202 1 U 1.629e+003 0.00e+000 e 0 38 47 0 723 1.703 3.202 1 U 1.519e+003 0.00e+000 e 0 41 47 0 724 1.628 3.202 1 U 1.649e+003 0.00e+000 e 0 42 47 0 726 4.394 3.202 1 U 5.640e+002 0.00e+000 e 0 35 47 0 727 3.202 1.913 1 U 2.050e+003 0.00e+000 e 0 47 37 0 728 4.394 1.913 1 U 1.306e+003 0.00e+000 e 0 35 37 0 729 3.202 1.792 1 U 1.788e+003 0.00e+000 e 0 47 38 0 732 3.202 1.702 1 U 2.208e+003 0.00e+000 e 0 47 41 0 733 3.202 1.636 1 U 5.460e+002 0.00e+000 e 0 47 42 0 739 7.149 7.149 1 U 0.000e+000 0.00e+000 - 0 49 49 0 741 3.202 7.149 1 U 1.409e+003 0.00e+000 e 0 47 49 0 746 1.722 3.002 1 U 2.008e+003 0.00e+000 e 0 21 25 0 747 1.722 1.722 1 U 0.000e+000 0.00e+000 - 0 21 21 0 748 3.002 1.722 1 U 3.635e+003 0.00e+000 e 0 25 21 0 749 4.208 7.126 1 U 5.490e+002 0.00e+000 e 0 243 307 0 751 4.210 7.741 1 U 4.830e+002 0.00e+000 e 0 357 384 0 752 4.208 7.859 1 U 2.794e+003 0.00e+000 e 0 243 269 0 753 4.277 7.978 1 U 1.985e+003 0.00e+000 e 0 335 355 0 755 3.983 8.120 1 U 1.727e+003 0.00e+000 e 0 328 333 0 757 4.594 7.885 1 U 8.010e+002 0.00e+000 e 0 182 241 0 763 4.205 8.115 1 U 2.566e+003 0.00e+000 e 0 63 82 0 780 1.450 7.126 1 U 2.350e+002 0.00e+000 e 0 293 307 0 799 1.609 7.218 1 U 3.320e+002 0.00e+000 e 0 280 257 0 800 0.877 7.218 1 U 1.056e+003 0.00e+000 e 0 283 257 0 801 0.923 7.218 1 U 3.460e+002 0.00e+000 e 0 274 257 0 803 2.226 7.838 1 U 8.030e+002 0.00e+000 e 0 446 460 0 805 1.778 7.784 1 U 9.770e+002 0.00e+000 e 0 38 61 0 811 3.679 7.895 1 U 7.290e+002 0.00e+000 e 0 169 135 0 817 1.189 8.001 1 U 4.480e+002 0.00e+000 e 0 281 290 0 818 0.923 8.001 1 U 1.139e+003 0.00e+000 e 0 274 290 0 819 1.926 8.001 1 U 3.412e+003 0.00e+000 e 0 273 290 0 822 1.436 7.885 1 U 7.660e+002 0.00e+000 e 0 224 241 0 824 0.877 7.859 1 U 1.415e+003 0.00e+000 e 0 283 269 0 825 0.909 7.784 1 U 2.440e+002 0.00e+000 e 0 75 61 0 829 1.701 4.132 1 U 4.770e+002 0.00e+000 e 0 229 217 0 851 4.458 0.927 1 U 4.060e+002 0.00e+000 e 0 159 154 0 853 4.446 0.957 1 U 4.070e+002 0.00e+000 e 0 109 104 0 854 4.224 1.004 1 U 8.270e+002 0.00e+000 e 0 408 475 0 856 3.966 0.957 1 U 4.360e+002 0.00e+000 e 0 84 104 0 857 3.937 0.957 1 U 3.680e+002 0.00e+000 e 0 85 104 0 859 3.137 1.450 1 U 2.060e+002 0.00e+000 e 0 306 293 0 862 3.202 0.965 1 U 3.150e+002 0.00e+000 e 0 47 66 0 863 3.202 0.909 1 U 8.600e+001 0.00e+000 e 0 47 75 0 864 1.446 1.849 1 U 9.850e+002 0.00e+000 e 0 16 13 0 865 1.836 1.456 1 U 1.467e+003 0.00e+000 e 0 13 16 0 866 1.519 1.898 1 U 2.321e+003 0.00e+000 e 0 72 65 0 867 1.898 1.524 1 U 2.879e+003 0.00e+000 e 0 65 72 0 868 4.458 3.860 1 U 2.279e+003 0.00e+000 e 0 159 168 0 876 1.706 1.933 1 U 3.610e+003 0.00e+000 e 0 250 247 0 877 1.744 1.933 1 U 4.583e+003 0.00e+000 e 0 249 247 0 879 0.868 1.926 1 U 1.287e+003 0.00e+000 e 0 283 273 0 883 1.607 1.819 1 U 1.335e+004 0.00e+000 e 0 338 337 0 884 1.813 1.614 1 U 2.275e+004 0.00e+000 e 0 337 338 0 885 0.923 1.819 1 U 3.916e+003 0.00e+000 e 0 342 337 0 886 0.927 1.614 1 U 5.266e+003 0.00e+000 e 0 342 338 0 889 0.905 0.905 1 U 0.000e+000 0.00e+000 - 0 343 343 0 890 1.602 0.905 1 U 1.335e+004 0.00e+000 e 0 338 343 0 893 0.905 1.614 1 U 6.219e+003 0.00e+000 e 0 343 338 0 894 0.899 1.819 1 U 5.948e+003 0.00e+000 e 0 343 337 0 897 0.908 8.120 1 U 2.722e+003 0.00e+000 e 0 343 333 0 898 7.741 7.906 1 U 4.576e+003 0.00e+000 e 0 384 377 0 900 8.096 7.741 1 U 2.560e+002 0.00e+000 e 0 432 384 0 901 1.914 1.512 1 U 7.356e+003 0.00e+000 e 0 411 416 0 903 2.424 2.230 1 U 7.750e+003 0.00e+000 e 0 452 446 0 913 4.147 7.975 1 U 1.251e+003 0.00e+000 e 0 327 323 0 914 1.816 4.272 1 U 2.540e+002 0.00e+000 e 0 13 9 0 915 1.804 4.210 1 U 3.467e+003 0.00e+000 e 0 359 357 0 916 1.605 4.210 1 U 2.655e+003 0.00e+000 e 0 360 357 0 917 1.922 4.224 1 U 3.073e+003 0.00e+000 e 0 411 408 0 918 1.512 4.224 1 U 9.720e+002 0.00e+000 e 0 416 408 0 922 2.127 2.325 1 U 5.840e+003 0.00e+000 e 0 165 161 0 923 2.071 2.325 1 U 3.075e+003 0.00e+000 e 0 166 161 0 924 2.127 1.995 1 U 7.670e+003 0.00e+000 e 0 165 162 0 925 4.354 1.450 1 U 4.440e+002 0.00e+000 e 0 302 293 0 926 4.288 2.424 1 U 5.000e+002 0.00e+000 e 0 386 452 0 927 4.594 1.933 1 U 1.873e+003 0.00e+000 e 0 182 247 0 928 1.604 4.136 1 U 5.310e+002 0.00e+000 e 0 338 292 0 929 1.817 4.136 1 U 6.640e+002 0.00e+000 e 0 337 292 0 932 4.354 1.608 1 U 8.820e+002 0.00e+000 e 0 302 360 0 933 4.354 1.804 1 U 1.340e+003 0.00e+000 e 0 302 359 0 936 4.277 1.753 1 U 9.990e+002 0.00e+000 e 0 335 388 0 937 4.277 1.646 1 U 9.350e+002 0.00e+000 e 0 335 389 0 938 4.208 1.918 1 U 5.505e+003 0.00e+000 e 0 357 411 0 947 4.131 8.001 1 U 1.866e+003 0.00e+000 e 0 217 290 0 949 4.203 8.147 1 U 1.669e+003 0.00e+000 e 0 243 300 0 950 4.132 8.147 1 U 8.210e+002 0.00e+000 e 0 217 300 0 951 3.915 7.975 1 U 1.359e+003 0.00e+000 e 0 271 323 0 953 4.138 8.120 1 U 1.208e+003 0.00e+000 e 0 292 333 0 954 3.926 8.120 1 U 9.500e+002 0.00e+000 e 0 271 333 0 955 4.131 7.978 1 U 4.170e+002 0.00e+000 e 0 292 355 0 956 4.354 7.978 1 U 1.557e+003 0.00e+000 e 0 302 355 0 957 4.274 7.906 1 U 2.220e+002 0.00e+000 e 0 335 377 0 958 4.354 7.906 1 U 1.028e+003 0.00e+000 e 0 325 377 0 960 4.354 7.741 1 U 4.990e+002 0.00e+000 e 0 325 384 0 961 4.271 7.741 1 U 1.730e+003 0.00e+000 e 0 335 384 0 962 4.212 7.989 1 U 1.755e+003 0.00e+000 e 0 357 406 0 964 4.290 8.019 1 U 1.394e+003 0.00e+000 e 0 386 442 0 966 0.906 7.126 1 U 3.960e+002 0.00e+000 e 0 374 307 0 967 0.906 6.815 1 U 2.090e+002 0.00e+000 e 0 374 308 0 985 8.275 8.226 1 U 1.682e+003 0.00e+000 e 0 173 180 0 986 8.120 7.975 1 U 5.746e+003 0.00e+000 e 0 333 323 0 990 0.917 8.147 1 U 1.508e+003 0.00e+000 e 0 274 300 0 993 0.901 3.034 1 U 3.280e+002 0.00e+000 e 0 394 424 0 996 0.921 4.136 1 U 1.502e+003 0.00e+000 e 0 274 292 0 998 3.856 1.622 1 U 1.722e+003 0.00e+000 e 0 168 139 0 999 3.676 1.622 1 U 1.642e+003 0.00e+000 e 0 169 139 0 1000 1.517 1.722 1 U 2.674e+004 0.00e+000 e 0 15 21 0 1002 7.906 7.978 1 U 3.141e+003 0.00e+000 e 0 377 355 0 1003 4.186 7.859 1 U 1.585e+003 0.00e+000 e 0 199 269 0 1005 1.923 4.183 1 U 8.650e+002 0.00e+000 e 0 273 199 0 1006 1.449 4.132 1 U 1.860e+003 0.00e+000 e 0 293 217 0 1007 4.207 8.096 1 U 1.480e+003 0.00e+000 e 0 357 432 0 1008 4.289 8.096 1 U 1.427e+003 0.00e+000 e 0 386 432 0 1009 4.277 7.989 1 U 1.171e+003 0.00e+000 e 0 335 406 0 1010 4.361 7.906 1 U 4.950e+002 0.00e+000 e 0 302 377 0 1011 4.208 7.973 1 U 5.970e+002 0.00e+000 e 0 243 323 0 1013 4.137 3.137 1 U 4.680e+002 0.00e+000 e 0 217 306 0 1014 0.912 3.137 1 U 5.670e+002 0.00e+000 e 0 374 306 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 . . 6500 . . . . . . . 34138 1 2 . . H 1 H . . 6500 . . . . . . . 34138 1 stop_ save_