######################### # 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 34773 _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 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _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 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 3 #FORMAT xeasy3D #INAME 1 H #INAME 2 HN #INAME 3 N #SPECTRUM N15NOESY H HN N 6 3.159 6.949 113.272 1 T 3.368e+05 0.00e+00 a 0 - - - 7 2.863 6.949 113.341 1 T 6.218e+05 0.00e+00 a 0 - - - 8 2.343 6.958 113.453 1 T 9.155e+05 0.00e+00 a 0 - - - 10 2.052 6.960 113.233 1 T 4.051e+05 0.00e+00 a 0 - - - 11 1.831 6.960 112.937 1 T 3.443e+05 0.00e+00 a 0 - - - 18 7.603 6.956 113.458 1 T 8.458e+06 0.00e+00 a 0 - - - 19 4.753 7.386 111.621 1 T 1.503e+06 0.00e+00 a 0 - - - 22 2.247 7.363 111.506 1 T 9.370e+05 0.00e+00 a 0 - - - 23 2.005 7.386 111.597 1 T 1.013e+06 0.00e+00 a 0 - - - 25 0.842 7.369 111.459 1 T 3.510e+05 0.00e+00 a 0 - - - 27 6.810 7.368 111.572 1 T 1.078e+07 0.00e+00 a 0 - - - 31 2.382 7.117 110.898 1 T 6.897e+05 0.00e+00 a 0 - - - 32 2.116 7.116 110.894 1 T 7.072e+05 0.00e+00 a 0 - - - 34 1.782 7.117 110.901 1 T 4.959e+05 0.00e+00 a 0 - - - 35 1.134 7.124 110.709 1 T 1.849e+05 0.00e+00 a 0 - - - 37 1.000 7.146 110.740 1 T 2.120e+05 0.00e+00 a 0 - - - 38 0.833 7.117 110.955 1 T 4.314e+05 0.00e+00 a 0 - - - 39 6.579 7.111 111.423 1 T 9.152e+05 0.00e+00 a 0 - - - 40 4.748 8.114 113.085 1 T 1.077e+07 0.00e+00 a 0 - - - 41 4.283 8.113 113.109 1 T 1.358e+06 0.00e+00 a 0 - - - 42 2.626 8.116 113.088 1 T 5.610e+05 0.00e+00 a 0 - - - 43 1.149 8.113 113.098 1 T 8.610e+05 0.00e+00 a 0 - - - 47 4.757 8.418 111.258 1 T 6.319e+06 0.00e+00 a 0 - - - 48 4.292 8.416 111.236 1 T 6.492e+05 0.00e+00 a 0 - - - 49 3.951 8.422 111.262 1 T 6.674e+05 0.00e+00 a 0 - - - 53 4.753 6.913 112.842 1 T 2.635e+06 0.00e+00 a 0 - - - 54 4.368 6.960 112.873 1 T 4.007e+05 0.00e+00 a 0 - - - 55 4.286 6.915 112.822 1 T 2.793e+05 0.00e+00 a 0 - - - 57 2.751 6.912 112.896 1 T 3.529e+05 0.00e+00 a 0 - - - 58 7.834 6.960 112.801 1 T 4.446e+05 0.00e+00 a 0 - - - 59 4.909 8.697 118.755 1 T 1.574e+06 0.00e+00 a 0 - - - 61 4.740 8.651 118.422 1 T 1.224e+06 0.00e+00 a 0 - - - 63 4.710 8.712 118.348 1 T 1.402e+06 0.00e+00 a 0 - - - 64 4.559 8.697 118.753 1 T 2.090e+06 0.00e+00 a 0 - - - 65 4.326 8.651 118.385 1 T 1.568e+06 0.00e+00 a 0 - - - 67 3.843 8.696 118.754 1 T 1.963e+06 0.00e+00 a 0 - - - 71 2.749 8.690 118.841 1 T 3.060e+05 0.00e+00 a 0 - - - 74 1.991 8.650 118.376 1 T 1.571e+06 0.00e+00 a 0 - - - 76 1.770 8.685 118.606 1 T 1.473e+06 0.00e+00 a 0 - - - 77 1.670 8.695 118.763 1 T 1.736e+06 0.00e+00 a 0 - - - 78 1.474 8.651 118.380 1 T 2.470e+06 0.00e+00 a 0 - - - 79 1.384 8.696 118.720 1 T 1.548e+06 0.00e+00 a 0 - - - 82 0.745 8.648 118.365 1 T 1.918e+05 0.00e+00 a 0 - - - 85 5.292 8.654 118.384 1 T 1.261e+06 0.00e+00 a 0 - - - 87 9.182 8.650 118.392 1 T 1.652e+06 0.00e+00 a 0 - - - 88 4.754 8.085 107.143 1 T 2.531e+06 0.00e+00 a 0 - - - 89 4.495 8.080 107.005 1 T 1.200e+06 0.00e+00 a 0 - - - 90 3.926 8.081 107.027 1 T 3.022e+06 0.00e+00 a 0 - - - 92 3.073 8.080 107.124 1 T 3.045e+05 0.00e+00 a 0 - - - 93 2.714 8.086 106.992 1 T 3.928e+05 0.00e+00 a 0 - - - 94 2.354 8.082 107.061 1 T 5.011e+05 0.00e+00 a 0 - - - 95 2.131 8.081 107.159 1 T 4.943e+05 0.00e+00 a 0 - - - 96 1.794 8.080 107.115 1 T 3.007e+05 0.00e+00 a 0 - - - 97 1.761 8.136 107.261 1 T 2.063e+05 0.00e+00 a 0 - - - 98 1.257 8.085 107.071 1 T 3.339e+05 0.00e+00 a 0 - - - 99 0.754 8.086 107.106 1 T 1.545e+05 0.00e+00 a 0 - - - 100 7.670 8.082 107.016 1 T 2.207e+06 0.00e+00 a 0 - - - 101 8.367 8.082 107.109 1 T 3.365e+05 0.00e+00 a 0 - - - 102 4.928 9.160 124.828 1 T 2.416e+06 0.00e+00 a 0 - - - 103 4.679 9.144 124.675 1 T 5.908e+05 0.00e+00 a 0 - - - 105 3.119 9.155 124.837 1 T 4.773e+05 0.00e+00 a 0 - - - 106 2.349 9.179 124.702 1 T 3.187e+05 0.00e+00 a 0 - - - 107 2.341 9.167 124.551 1 T 3.527e+05 0.00e+00 a 0 - - - 108 1.968 9.210 125.230 1 T 2.055e+05 0.00e+00 a 0 - - - 109 1.891 9.159 124.835 1 T 7.137e+05 0.00e+00 a 0 - - - 110 1.557 9.159 124.806 1 T 4.913e+05 0.00e+00 a 0 - - - 111 1.543 9.107 124.473 1 T 4.891e+05 0.00e+00 a 0 - - - 112 0.784 9.159 124.818 1 T 1.245e+06 0.00e+00 a 0 - - - 113 0.381 9.162 124.852 1 T 1.541e+06 0.00e+00 a 0 - - - 116 5.404 9.161 124.850 1 T 5.468e+05 0.00e+00 a 0 - - - 117 9.669 9.153 124.825 1 T 3.235e+05 0.00e+00 a 0 - - - 118 4.788 8.420 112.206 1 T 3.804e+05 0.00e+00 a 0 - - - 122 3.154 8.372 112.358 1 T 3.851e+05 0.00e+00 a 0 - - - 123 2.694 8.369 112.308 1 T 3.309e+05 0.00e+00 a 0 - - - 124 1.992 8.373 112.293 1 T 4.820e+05 0.00e+00 a 0 - - - 125 1.920 8.318 112.140 1 T 1.601e+05 0.00e+00 a 0 - - - 126 1.605 8.374 112.189 1 T 2.504e+05 0.00e+00 a 0 - - - 127 1.088 8.372 112.360 1 T 7.681e+05 0.00e+00 a 0 - - - 128 0.798 8.370 112.421 1 T 7.146e+05 0.00e+00 a 0 - - - 129 -0.038 8.405 112.461 1 T 2.621e+05 0.00e+00 a 0 - - - 130 6.867 8.369 112.392 1 T 4.324e+05 0.00e+00 a 0 - - - 131 5.063 8.371 112.338 1 T 3.304e+06 0.00e+00 a 0 - - - 132 9.686 8.372 112.269 1 T 3.063e+05 0.00e+00 a 0 - - - 133 8.945 8.372 112.278 1 T 1.708e+05 0.00e+00 a 0 - - - 136 2.097 6.690 109.343 1 T 2.884e+05 0.00e+00 a 0 - - - 137 1.836 6.704 109.268 1 T 3.785e+05 0.00e+00 a 0 - - - 138 0.836 6.698 109.364 1 T 5.767e+05 0.00e+00 a 0 - - - 139 7.286 6.701 109.324 1 T 2.076e+06 0.00e+00 a 0 - - - 140 4.756 8.435 109.323 1 T 5.666e+06 0.00e+00 a 0 - - - 141 4.249 8.428 109.212 1 T 2.783e+05 0.00e+00 a 0 - - - 142 3.885 8.435 109.326 1 T 7.082e+05 0.00e+00 a 0 - - - 143 -0.702 8.428 109.429 1 T 1.048e+05 0.00e+00 a 0 - - - 144 4.561 8.718 124.369 1 T 2.241e+06 0.00e+00 a 0 - - - 147 1.790 8.716 124.377 1 T 1.047e+06 0.00e+00 a 0 - - - 148 1.540 8.718 124.329 1 T 7.656e+05 0.00e+00 a 0 - - - 149 0.930 8.722 124.313 1 T 8.384e+05 0.00e+00 a 0 - - - 150 0.702 8.717 124.315 1 T 1.927e+06 0.00e+00 a 0 - - - 155 9.596 8.718 124.401 1 T 5.448e+05 0.00e+00 a 0 - - - 158 4.961 8.090 125.839 1 T 1.590e+06 0.00e+00 a 0 - - - 159 4.514 8.087 126.000 1 T 4.368e+05 0.00e+00 a 0 - - - 160 2.577 8.093 125.886 1 T 2.766e+05 0.00e+00 a 0 - - - 161 1.418 8.090 125.794 1 T 7.557e+05 0.00e+00 a 0 - - - 162 0.958 8.093 125.800 1 T 5.236e+05 0.00e+00 a 0 - - - 163 0.846 8.105 125.466 1 T 2.485e+05 0.00e+00 a 0 - - - 164 0.444 8.091 125.870 1 T 8.147e+05 0.00e+00 a 0 - - - 166 5.203 8.093 125.851 1 T 5.199e+05 0.00e+00 a 0 - - - 169 8.562 8.091 125.868 1 T 6.012e+05 0.00e+00 a 0 - - - 170 4.760 8.500 121.307 1 T 1.527e+06 0.00e+00 a 0 - - - 171 4.287 8.506 121.337 1 T 7.176e+05 0.00e+00 a 0 - - - 172 2.329 8.508 121.252 1 T 4.259e+05 0.00e+00 a 0 - - - 173 1.808 8.505 121.240 1 T 1.886e+06 0.00e+00 a 0 - - - 177 0.634 8.504 121.208 1 T 7.886e+05 0.00e+00 a 0 - - - 179 5.371 8.507 121.279 1 T 1.459e+06 0.00e+00 a 0 - - - 180 9.033 8.507 121.259 1 T 6.412e+05 0.00e+00 a 0 - - - 183 8.803 8.504 121.401 1 T 3.837e+05 0.00e+00 a 0 - - - 184 4.749 8.285 122.453 1 T 8.414e+06 0.00e+00 a 0 - - - 185 4.543 8.251 122.572 1 T 4.594e+06 0.00e+00 a 0 - - - 186 4.286 8.284 122.409 1 T 3.761e+06 0.00e+00 a 0 - - - 192 2.563 8.284 122.430 1 T 2.951e+06 0.00e+00 a 0 - - - 193 2.116 8.247 122.626 1 T 1.400e+06 0.00e+00 a 0 - - - 194 1.583 8.248 122.464 1 T 8.708e+05 0.00e+00 a 0 - - - 195 1.130 8.283 122.384 1 T 4.996e+05 0.00e+00 a 0 - - - 197 0.765 8.249 122.517 1 T 1.394e+06 0.00e+00 a 0 - - - 198 0.557 8.246 122.660 1 T 1.062e+06 0.00e+00 a 0 - - - 199 0.292 8.247 122.528 1 T 4.720e+05 0.00e+00 a 0 - - - 204 7.533 8.254 122.499 1 T 2.244e+05 0.00e+00 a 0 - - - 205 5.408 8.248 122.684 1 T 4.463e+05 0.00e+00 a 0 - 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- - 230 5.481 8.716 118.165 1 T 1.745e+06 0.00e+00 a 0 - - - 231 9.333 8.772 118.208 1 T 4.355e+05 0.00e+00 a 0 - - - 232 9.001 8.712 118.297 1 T 6.755e+05 0.00e+00 a 0 - - - 236 2.321 6.889 112.521 1 T 6.085e+05 0.00e+00 a 0 - - - 240 6.598 6.888 112.512 1 T 4.258e+05 0.00e+00 a 0 - - - 244 7.606 6.890 112.526 1 T 1.606e+07 0.00e+00 a 0 - - - 245 4.752 8.377 121.644 1 T 5.735e+06 0.00e+00 a 0 - - - 246 4.234 8.377 121.632 1 T 4.966e+05 0.00e+00 a 0 - - - 248 1.740 8.375 121.670 1 T 6.396e+05 0.00e+00 a 0 - - - 250 8.083 8.344 121.337 1 T 2.044e+05 0.00e+00 a 0 - - - 251 5.066 8.368 121.573 1 T 2.143e+05 0.00e+00 a 0 - - - 253 4.877 8.003 118.997 1 T 8.749e+05 0.00e+00 a 0 - - - 254 4.583 8.016 118.874 1 T 1.628e+05 0.00e+00 a 0 - - - 256 3.333 7.997 119.013 1 T 2.744e+05 0.00e+00 a 0 - - - 257 2.840 8.004 119.022 1 T 1.471e+06 0.00e+00 a 0 - - - 259 1.885 8.002 119.022 1 T 9.434e+05 0.00e+00 a 0 - - - 261 1.299 8.004 119.037 1 T 2.073e+06 0.00e+00 a 0 - - - 262 0.819 8.002 119.033 1 T 8.339e+05 0.00e+00 a 0 - 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- - 1698 4.350 8.570 114.875 1 T 1.003e+06 0.00e+00 a 0 - - - 1699 3.950 8.567 114.891 1 T 4.396e+05 0.00e+00 a 0 - - - 1701 2.952 8.569 114.925 1 T 9.502e+05 0.00e+00 a 0 - - - 1702 2.032 8.568 114.911 1 T 1.354e+06 0.00e+00 a 0 - - - 1704 0.809 8.573 114.868 1 T 3.807e+05 0.00e+00 a 0 - - - 1706 6.837 8.575 114.947 1 T 3.101e+05 0.00e+00 a 0 - - - 1707 5.009 8.569 114.897 1 T 1.802e+06 0.00e+00 a 0 - - - 1710 8.910 8.569 114.954 1 T 1.168e+06 0.00e+00 a 0 - - - 1711 7.702 7.435 113.362 1 T 2.008e+05 0.00e+00 a 0 - - - 1712 7.707 7.424 112.876 1 T 1.805e+05 0.00e+00 a 0 - - - 1716 2.121 9.366 126.580 1 T 7.308e+05 0.00e+00 a 0 - - - 1717 1.500 9.366 126.591 1 T 1.504e+06 0.00e+00 a 0 - - - 1718 1.246 9.368 126.621 1 T 9.219e+05 0.00e+00 a 0 - - - 1719 0.763 9.365 126.630 1 T 1.759e+06 0.00e+00 a 0 - - - 1720 9.066 9.365 126.725 1 T 5.363e+05 0.00e+00 a 0 - - - 1725 5.465 9.365 126.604 1 T 2.299e+06 0.00e+00 a 0 - - - 1727 5.105 9.368 126.609 1 T 8.455e+05 0.00e+00 a 0 - - - 1728 9.639 9.366 126.606 1 T 6.284e+05 0.00e+00 a 0 - - - 1729 0.536 8.665 118.229 1 T 2.709e+05 0.00e+00 a 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 . 'not observed' 13.656 ppm . . . 4.7 . . 34773 1 2 . . H 1 HN . 'not observed' 11 ppm . . . 4.7 . . 34773 1 3 . . N 15 N . 'not observed' 35 ppm . . . 119 . . 34773 1 stop_ save_