######################### # 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 30849 _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 1 4.946 8.953 1 U 1.280 0 e 0 0 0 2 1.425 8.913 1 U 2.427 0 e 0 0 0 3 4.838 8.912 1 U 61.855 0 e 0 0 0 4 4.607 8.912 1 U 9.943 0 e 0 0 0 5 1.621 8.912 1 U 6.327 0 e 0 0 0 6 1.660 8.911 1 U 7.926 0 e 0 0 0 7 1.748 8.908 1 U 2.086 0 e 0 0 0 8 1.807 8.907 1 U 2.274 0 e 0 0 0 9 4.682 8.906 1 U 0.823 0 e 0 0 0 10 0.741 8.904 1 U 0.754 0 e 0 0 0 11 1.807 8.881 1 U 10.500 0 e 0 0 0 12 1.729 8.881 1 U 5.588 0 e 0 0 0 13 0.937 8.881 1 U 5.167 0 e 0 0 0 14 0.741 8.881 1 U 5.984 0 e 0 0 0 15 4.887 8.880 1 U 55.200 0 e 0 0 0 16 2.188 8.880 1 U 5.492 0 e 0 0 0 17 4.623 8.879 1 U 8.395 0 e 0 0 0 18 4.193 8.879 1 U 0.189 0 e 0 0 0 19 4.564 8.701 1 U 4.159 0 e 0 0 0 20 8.133 8.666 1 U 12.624 0 e 0 0 0 21 4.652 8.666 1 U 39.567 0 e 0 0 0 22 3.831 8.666 1 U 13.145 0 e 0 0 0 23 3.782 8.666 1 U 3.179 0 e 0 0 0 24 3.205 8.666 1 U 2.139 0 e 0 0 0 25 2.745 8.666 1 U 1.489 0 e 0 0 0 26 4.897 8.665 1 U 6.790 0 e 0 0 0 27 0.653 8.664 1 U 0.619 0 e 0 0 0 28 4.251 8.619 1 U 0.000 0 e 0 0 0 29 1.836 8.611 1 U 2.039 0 e 0 0 0 30 8.299 8.609 1 U 4.060 0 e 0 0 0 31 4.329 8.608 1 U 25.193 0 e 0 0 0 32 4.679 8.607 1 U 8.841 0 e 0 0 0 33 2.811 8.607 1 U 4.077 0 e 0 0 0 34 2.652 8.607 1 U 7.706 0 e 0 0 0 35 1.787 8.607 1 U 2.461 0 e 0 0 0 36 7.038 8.605 1 U 2.510 0 e 0 0 0 37 5.112 8.605 1 U 11.526 0 e 0 0 0 38 3.596 8.605 1 U 1.559 0 e 0 0 0 39 2.618 8.605 1 U 14.164 0 e 0 0 0 40 4.466 8.604 1 U 54.713 0 e 0 0 0 41 4.866 8.603 1 U 9.290 0 e 0 0 0 42 3.205 8.603 1 U 0.190 0 e 0 0 0 43 2.951 8.603 1 U 2.379 0 e 0 0 0 44 0.937 8.602 1 U 1.349 0 e 0 0 0 45 4.144 8.588 1 U 12.567 0 e 0 0 0 46 4.065 8.588 1 U 8.611 0 e 0 0 0 47 4.007 8.588 1 U 11.888 0 e 0 0 0 48 1.445 8.588 1 U 4.423 0 e 0 0 0 49 8.114 8.587 1 U 7.718 0 e 0 0 0 50 1.807 8.569 1 U 7.213 0 e 0 0 0 51 5.258 8.567 1 U 20.863 0 e 0 0 0 52 4.858 8.567 1 U 61.662 0 e 0 0 0 53 1.103 8.567 1 U 2.066 0 e 0 0 0 54 1.748 8.565 1 U 2.218 0 e 0 0 0 55 4.633 8.560 1 U 2.891 0 e 0 0 0 56 8.074 8.512 1 U 1.965 0 e 0 0 0 57 4.674 8.503 1 U 10.869 0 e 0 0 0 58 1.680 8.503 1 U 26.967 0 e 0 0 0 59 7.898 8.502 1 U 6.788 0 e 0 0 0 60 4.633 8.502 1 U 53.739 0 e 0 0 0 61 1.875 8.502 1 U 9.530 0 e 0 0 0 62 1.729 8.502 1 U 6.035 0 e 0 0 0 63 1.445 8.502 1 U 9.788 0 e 0 0 0 64 2.188 8.501 1 U 5.638 0 e 0 0 0 65 4.300 8.500 1 U 30.048 0 e 0 0 0 66 4.002 8.500 1 U 6.441 0 e 0 0 0 67 3.814 8.500 1 U 13.224 0 e 0 0 0 68 8.338 8.499 1 U 2.488 0 e 0 0 0 69 1.817 8.499 1 U 7.771 0 e 0 0 0 70 4.193 8.470 1 U 5.424 0 e 0 0 0 71 1.664 8.470 1 U 1.519 0 e 0 0 0 72 4.603 8.469 1 U 71.049 0 e 0 0 0 73 0.653 8.469 1 U 2.713 0 e 0 0 0 74 1.799 8.468 1 U 32.019 0 e 0 0 0 75 1.621 8.468 1 U 1.818 0 e 0 0 0 76 0.908 8.468 1 U 13.952 0 e 0 0 0 77 1.425 8.467 1 U 1.653 0 e 0 0 0 78 4.408 8.417 1 U 4.921 0 e 0 0 0 79 4.897 8.360 1 U 38.155 0 e 0 0 0 80 3.195 8.359 1 U 36.044 0 e 0 0 0 81 2.755 8.359 1 U 7.830 0 e 0 0 0 82 1.817 8.359 1 U 5.918 0 e 0 0 0 83 0.741 8.359 1 U 6.836 0 e 0 0 0 84 4.682 8.302 1 U 13.073 0 e 0 0 0 85 3.919 8.302 1 U 12.494 0 e 0 0 0 86 3.772 8.301 1 U 24.360 0 e 0 0 0 87 8.174 8.300 1 U 12.101 0 e 0 0 0 88 7.889 8.300 1 U 4.080 0 e 0 0 0 89 2.657 8.300 1 U 0.230 0 e 0 0 0 90 4.655 8.296 1 U 7.776 0 e 0 0 0 91 3.831 8.296 1 U 3.682 0 e 0 0 0 92 2.081 8.296 1 U 1.696 0 e 0 0 0 93 4.457 8.295 1 U 38.453 0 e 0 0 0 94 1.914 8.295 1 U 0.669 0 e 0 0 0 95 4.124 8.176 1 U 6.452 0 e 0 0 0 96 7.752 8.174 1 U 8.304 0 e 0 0 0 97 3.762 8.174 1 U 9.672 0 e 0 0 0 98 3.919 8.173 1 U 11.964 0 e 0 0 0 99 2.188 8.172 1 U 0.966 0 e 0 0 0 100 2.081 8.172 1 U 1.207 0 e 0 0 0 101 1.836 8.172 1 U 12.359 0 e 0 0 0 102 2.159 8.170 1 U 0.668 0 e 0 0 0 103 0.937 8.132 1 U 8.896 0 e 0 0 0 104 4.459 8.131 1 U 6.027 0 e 0 0 0 105 0.653 8.130 1 U 10.007 0 e 0 0 0 106 4.193 8.129 1 U 66.030 0 e 0 0 0 107 4.887 8.124 1 U 12.268 0 e 0 0 0 108 4.056 8.115 1 U 10.182 0 e 0 0 0 109 4.007 8.115 1 U 16.607 0 e 0 0 0 110 1.103 8.115 1 U 9.263 0 e 0 0 0 111 4.859 8.108 1 U 3.769 0 e 0 0 0 112 1.680 8.079 1 U 0.549 0 e 0 0 0 113 4.329 8.077 1 U 6.020 0 e 0 0 0 114 2.477 8.076 1 U 0.346 0 e 0 0 0 115 4.682 8.074 1 U 38.301 0 e 0 0 0 116 1.885 8.072 1 U 7.041 0 e 0 0 0 117 4.828 8.071 1 U 2.289 0 e 0 0 0 118 4.300 7.896 1 U 0.000 0 e 0 0 0 119 4.007 7.896 1 U 6.227 0 e 0 0 0 120 3.821 7.896 1 U 5.182 0 e 0 0 0 121 2.237 7.896 1 U 0.457 0 e 0 0 0 122 2.081 7.896 1 U 3.954 0 e 0 0 0 123 1.905 7.895 1 U 12.096 0 e 0 0 0 124 4.457 7.893 1 U 4.824 0 e 0 0 0 125 1.328 7.752 1 U 1.282 0 e 0 0 0 126 4.525 7.750 1 U 5.852 0 e 0 0 0 127 4.114 7.750 1 U 8.952 0 e 0 0 0 128 2.081 7.750 1 U 3.227 0 e 0 0 0 129 1.709 7.750 1 U 2.347 0 e 0 0 0 130 1.582 7.750 1 U 11.798 0 e 0 0 0 131 1.836 7.749 1 U 0.956 0 e 0 0 0 132 6.862 7.550 1 U 10.555 0 e 0 0 0 133 6.784 7.462 1 U 226.645 0 e 0 0 0 134 4.701 7.441 1 U 550.529 0 e 0 0 0 135 6.725 7.431 1 U 24.525 0 e 0 0 0 136 6.637 7.358 1 U 169.430 0 e 0 0 0 137 4.701 7.064 1 U 14.672 0 e 0 0 0 138 6.666 7.037 1 U 61.192 0 e 0 0 0 139 0.663 7.036 1 U 0.846 0 e 0 0 0 140 2.618 7.034 1 U 20.951 0 e 0 0 0 141 4.867 7.033 1 U 9.277 0 e 0 0 0 142 2.951 7.033 1 U 14.682 0 e 0 0 0 143 3.078 7.028 1 U 9.364 0 e 0 0 0 144 1.425 7.027 1 U 0.796 0 e 0 0 0 145 4.359 7.023 1 U 0.838 0 e 0 0 0 146 5.542 7.022 1 U 0.150 0 e 0 0 0 147 5.161 7.022 1 U 0.414 0 e 0 0 0 148 4.965 7.022 1 U 0.256 0 e 0 0 0 149 4.652 7.022 1 U 0.896 0 e 0 0 0 150 5.767 7.021 1 U 1.029 0 e 0 0 0 151 4.809 7.021 1 U 0.281 0 e 0 0 0 152 6.676 7.004 1 U 2.974 0 e 0 0 0 153 4.701 6.999 1 U 15.444 0 e 0 0 0 154 2.560 6.998 1 U 0.994 0 e 0 0 0 155 6.627 6.975 1 U 1.841 0 e 0 0 0 156 4.701 6.934 1 U 15.119 0 e 0 0 0 157 4.701 6.781 1 U 5.938 0 e 0 0 0 158 3.782 6.669 1 U 0.634 0 e 0 0 0 159 0.653 6.664 1 U 5.877 0 e 0 0 0 160 1.797 6.662 1 U 0.638 0 e 0 0 0 161 4.701 6.631 1 U 9.153 0 e 0 0 0 162 1.106 5.271 1 U 25.322 0 e 0 0 0 163 1.103 5.238 1 U 4.085 0 e 0 0 0 164 0.937 5.119 1 U 18.840 0 e 0 0 0 165 2.127 4.349 1 U 4.021 0 e 0 0 0 166 2.906 4.335 1 U 5.856 0 e 0 0 0 167 1.807 4.329 1 U 2.516 0 e 0 0 0 168 3.041 4.328 1 U 9.403 0 e 0 0 0 169 2.476 4.328 1 U 13.921 0 e 0 0 0 170 1.865 4.328 1 U 3.069 0 e 0 0 0 171 2.169 4.326 1 U 2.808 0 e 0 0 0 172 1.748 4.323 1 U 0.544 0 e 0 0 0 173 1.826 4.295 1 U 4.654 0 e 0 0 0 174 2.188 4.280 1 U 5.084 0 e 0 0 0 175 0.907 4.193 1 U 9.289 0 e 0 0 0 176 0.653 4.192 1 U 7.542 0 e 0 0 0 177 1.797 4.184 1 U 8.394 0 e 0 0 0 178 1.455 4.150 1 U 15.333 0 e 0 0 0 179 2.081 4.117 1 U 7.509 0 e 0 0 0 180 1.841 4.114 1 U 12.738 0 e 0 0 0 181 3.821 3.998 1 U 161.650 0 e 0 0 0 182 0.653 3.829 1 U 7.308 0 e 0 0 0 183 0.653 3.783 1 U 5.397 0 e 0 0 0 184 1.905 3.685 1 U 12.951 0 e 0 0 0 185 1.973 3.682 1 U 1.277 0 e 0 0 0 186 1.826 3.680 1 U 3.530 0 e 0 0 0 187 3.313 3.649 1 U 7.223 0 e 0 0 0 188 1.748 3.614 1 U 0.544 0 e 0 0 0 189 3.205 3.594 1 U 109.933 0 e 0 0 0 190 1.801 3.592 1 U 21.216 0 e 0 0 0 191 1.748 3.572 1 U 2.131 0 e 0 0 0 192 1.817 3.534 1 U 5.972 0 e 0 0 0 193 1.973 3.533 1 U 10.661 0 e 0 0 0 194 1.716 3.533 1 U 2.647 0 e 0 0 0 195 3.234 3.377 1 U 12.182 0 e 0 0 0 196 1.748 3.210 1 U 13.654 0 e 0 0 0 197 1.797 3.206 1 U 12.370 0 e 0 0 0 198 2.756 3.194 1 U 195.861 0 e 0 0 0 199 1.426 3.094 1 U 12.081 0 e 0 0 0 200 1.673 3.084 1 U 4.133 0 e 0 0 0 201 1.817 3.077 1 U 0.329 0 e 0 0 0 202 1.615 3.077 1 U 3.091 0 e 0 0 0 203 2.482 3.061 1 U 173.737 0 e 0 0 0 204 1.414 3.060 1 U 2.158 0 e 0 0 0 205 2.618 2.957 1 U 151.639 0 e 0 0 0 206 1.631 2.896 1 U 11.382 0 e 0 0 0 207 1.817 2.357 1 U 3.243 0 e 0 0 0 208 1.774 2.357 1 U 1.995 0 e 0 0 0 209 1.758 2.288 1 U 7.487 0 e 0 0 0 210 1.817 2.287 1 U 31.304 0 e 0 0 0 211 1.890 2.282 1 U 14.410 0 e 0 0 0 212 2.090 2.251 1 U 53.787 0 e 0 0 0 213 1.908 2.236 1 U 21.962 0 e 0 0 0 214 1.897 2.196 1 U 6.710 0 e 0 0 0 215 1.822 2.196 1 U 160.091 0 e 0 0 0 216 1.738 2.193 1 U 40.560 0 e 0 0 0 217 0.937 2.190 1 U 13.264 0 e 0 0 0 218 2.090 2.185 1 U 154.491 0 e 0 0 0 219 1.977 2.181 1 U 20.614 0 e 0 0 0 220 1.836 2.076 1 U 65.709 0 e 0 0 0 221 1.914 2.074 1 U 124.788 0 e 0 0 0 222 1.905 1.966 1 U 334.993 0 e 0 0 0 223 1.826 1.964 1 U 86.286 0 e 0 0 0 224 0.741 1.902 1 U 4.129 0 e 0 0 0 225 1.622 1.897 1 U 5.728 0 e 0 0 0 226 1.451 1.897 1 U 29.087 0 e 0 0 0 227 1.680 1.876 1 U 149.938 0 e 0 0 0 228 0.741 1.814 1 U 58.218 0 e 0 0 0 229 0.653 1.798 1 U 32.842 0 e 0 0 0 230 0.909 1.785 1 U 20.791 0 e 0 0 0 231 0.937 1.738 1 U 10.486 0 e 0 0 0 232 1.337 1.721 1 U 24.927 0 e 0 0 0 233 1.455 1.682 1 U 3.269 0 e 0 0 0 234 1.425 1.614 1 U 246.904 0 e 0 0 0 235 1.337 1.592 1 U 18.146 0 e 0 0 0 236 1.030 1.460 1 U 9.869 0 e 0 0 0 237 1.113 1.207 1 U 38.160 0 e 0 0 0 238 0.663 1.114 1 U 9.752 0 e 0 0 0 239 0.946 1.097 1 U 20.457 0 e 0 0 0 240 0.741 0.937 1 U 8.023 0 e 0 0 0 241 0.653 0.909 1 U 48.505 0 e 0 0 0 242 0.741 0.904 1 U 16.450 0 e 0 0 0 243 0.663 0.819 1 U 10.960 0 e 0 0 0 244 0.320 0.754 1 U 16.460 0 e 0 0 0 245 0.115 0.754 1 U 8.760 0 e 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 H . . 5 ppm . . . 5 . . 30849 1 stop_ save_