######################### # 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 34650 _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 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_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 # Number of peaks 84 1 26.705 1.967 1 U 1.28E+07 0 e 0 113 116 0 2 30.987 2.291 1 U -4.95E+06 0 e 0 114 117 0 3 26.466 1.994 1 U -3.14E+07 0 e 0 16 20 0 4 26.525 2.139 1 U -2.02E+07 0 e 0 16 19 0 5 30.922 2.354 1 U -2.35E+06 0 e 0 17 21 0 6 25.353 2.024 1 U -1.56E+07 0 e 0 79 82 0 7 25.277 2.074 1 U -2.07E+06 0 e 0 89 92 0 8 28.073 2.062 1 U -6.59E+05 0 e 0 6 9 0 9 28.042 2.104 1 U -9.80E+05 0 e 0 12 14 0 10 30.347 2.482 1 U -3.14E+06 0 e 0 90 93 0 11 30.15 2.424 1 U -6.98E+06 0 e 0 80 83 0 12 30.824 2.426 1 U -1.09E+06 0 e 0 7 10 0 13 29.868 1.8 1 U -1.82E+06 0 e 0 27 32 0 14 29.5 1.778 1 U -1.59E+06 0 e 0 58 63 0 15 26.409 1.646 1 U -3.18E+06 0 e 0 28 33 0 16 26.232 1.557 1 U -3.60E+06 0 e 0 59 64 0 17 15.575 1.393 1 U 5.85E+06 0 e 0 23 25 0 18 14.936 1.263 1 U 3.11E+06 0 e 0 85 87 0 19 22.297 1.415 1 U -1.32E+07 0 e 0 30 35 0 20 22.123 1.303 1 U -1.27E+07 0 e 0 61 66 0 21 21.244 0.756 1 U 5.70E+06 0 e 0 98 104 0 22 19.859 0.693 1 U 5.58E+06 0 e 0 99 105 0 23 21.356 0.857 1 U 4.92E+06 0 e 0 46 52 0 24 19.679 0.848 1 U 4.54E+06 0 e 0 47 53 0 25 18.631 1.166 1 U 3.28E+06 0 e 0 37 39 0 26 13.546 0.967 1 U 8.10E+05 0 e 0 2 4 0 27 9.779 0.883 1 U 6.54E+05 0 e 0 1 3 0 28 24.45 1.68 1 U 1.28E+06 0 e 0 48 50 0 29 39.339 1.5 1 U -2.67E+06 0 e 0 45 51 0 30 24.116 1.474 1 U 2.58E+06 0 e 0 100 102 0 31 39.448 1.229 1 U -1.72E+06 0 e 0 97 103 0 32 25.395 3.297 1 U -8.14E+05 0 e 0 75 76 0 33 25.373 3.235 1 U -1.36E+06 0 e 0 75 77 0 34 39.508 2.862 1 U -3.52E+06 0 e 0 60 65 0 35 39.534 2.944 1 U -3.18E+06 0 e 0 29 34 0 36 36.173 3.088 1 U -2.30E+07 0 e 0 41 43 0 37 36.316 2.962 1 U -6.88E+07 0 e 0 109 111 0 38 36.375 3.095 1 U -2.69E+03 0 e 0 109 110 0 39 36.464 2.87 1 U -4.43E+06 0 e 0 68 71 0 40 36.411 3.024 1 U 3.94E+05 0 e 0 68 70 0 41 35.962 2.866 1 U -2.14E+07 0 e 0 72 73 0 42 36.014 2.73 1 U 5.98E+07 0 e 0 72 74 0 43 36.347 2.929 1 U 5.85E+07 0 e 0 54 55 0 44 36.361 2.748 1 U -2.25E+05 0 e 0 54 56 0 45 35.245 2.843 1 U -2.59E+06 0 e 0 94 95 0 46 36.089 2.941 1 U 1.12E+07 0 e 0 106 107 0 47 36.012 2.835 1 U -1.49E+08 0 e 0 106 108 0 48 52.017 3.941 1 U 1.46E+06 0 e 0 84 86 0 49 51.682 4.18 1 U 1.34E+06 0 e 0 22 24 0 50 61.938 4.07 1 U 7.70E+05 0 e 0 36 38 0 51 56.589 4.017 1 U 1.23E+06 0 e 0 57 62 0 52 56.238 4.031 1 U 2.12E+06 0 e 0 26 31 0 53 54.284 4.049 1 U 2.44E+06 0 e 0 96 101 0 54 55.422 4.042 1 U 3.86E+06 0 e 0 88 91 0 55 54.093 4.266 1 U 3.33E+06 0 e 0 15 18 0 56 52.492 4.26 1 U 3.16E+06 0 e 0 112 115 0 57 55.358 4.112 1 U 2.33E+06 0 e 0 78 81 0 58 54.677 4.048 1 U -9.06E+05 0 e 0 44 49 0 59 57.766 4.234 1 U 2.34E+06 0 e 0 40 42 0 60 58.087 4.252 1 U 6.88E+05 0 e 0 67 69 0 61 57.283 4.145 1 U 9.94E+05 0 e 0 11 13 0 62 56.16 4.038 1 U -6.28E+05 0 e 0 5 8 0 63 4.417 8.432 1 U 1.13E+08 0 e 0 141 142 0 64 4.507 7.822 1 U 3.20E+08 0 e 0 149 150 0 65 4.1 8.155 1 U -8.57E+07 0 e 0 84 146 0 66 4.346 7.997 1 U -1.21E+08 0 e 0 143 145 0 67 4.039 7.993 1 U -1.02E+09 0 e 0 52 134 0 68 3.928 8.133 1 U 8.51E+08 0 e 0 89 147 0 69 4.459 8.233 1 U 2.45E+07 0 e 0 136 137 0 70 4.023 7.782 1 U 1.95E+09 0 e 0 65 138 0 71 4.386 7.731 1 U -6.19E+05 0 e 0 152 153 0 72 4.037 7.803 1 U -5.08E+09 0 e 0 94 148 0 73 4.265 8.733 1 U 1.54E+07 0 e 0 21 126 0 74 4.207 8.298 1 U 3.29E+07 0 e 0 72 139 0 75 4.058 7.761 1 U 2.83E+07 0 e 0 104 151 0 76 4.077 7.854 1 U -3.18E+07 0 e 0 34 128 0 77 4.237 7.587 1 U -6.77E+06 0 e 0 45 131 0 78 4.168 8.136 1 U 1.29E+10 0 e 0 27 127 0 79 4.115 7.654 1 U -2.83E+08 0 e 0 41 129 0 80 4.479 7.637 1 U 3.11E+07 0 e 0 156 157 0 81 4.603 8.472 1 U 7.39E+07 0 e 0 121 123 0 82 4.057 8.828 1 U 2.44E+07 0 e 0 11 124 0 83 4.174 7.642 1 U 1.03E+08 0 e 0 16 125 0 84 4.266 7.623 1 U 1.14E+08 0 e 0 118 160 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 . . 14 ppm . . . 4.76 . . 34650 1 2 . . H 1 H . . 14 ppm . . . 4.76 . . 34650 1 stop_ save_