######################### # 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 34526 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _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 HC #INAME 2 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 3.351 6.958 29.516 1 T 1.256e+06 0.00e+00 a 0 - - - 2 3.438 6.961 29.643 1 T 8.679e+05 0.00e+00 a 0 - - - 3 4.454 3.939 65.177 1 T 3.452e+06 0.00e+00 a 0 - - - 4 4.453 2.956 65.124 1 T 3.054e+06 0.00e+00 a 0 - - - 5 4.453 2.851 65.125 1 T 2.633e+06 0.00e+00 a 0 - - - 6 4.454 2.370 65.134 1 T 9.622e+06 0.00e+00 a 0 - - - 7 4.455 2.027 65.156 1 T 8.965e+06 0.00e+00 a 0 - - - 8 4.452 0.972 65.236 1 T 1.353e+06 0.00e+00 a 0 - - - 9 1.993 2.362 31.919 1 T 1.406e+07 0.00e+00 a 0 - - - 11 2.000 4.463 32.074 1 T 9.072e+06 0.00e+00 a 0 - - - 12 2.371 2.006 31.877 1 T 1.802e+07 0.00e+00 a 0 - - - 13 2.363 1.095 31.541 1 T 1.063e+07 0.00e+00 a 0 - - - 14 2.371 0.953 31.762 1 T 7.456e+06 0.00e+00 a 0 - - - 15 2.372 4.455 31.862 1 T 7.485e+06 0.00e+00 a 0 - - - 16 2.370 3.955 31.823 1 T 3.753e+06 0.00e+00 a 0 - - - 17 2.370 8.521 31.733 1 T 1.918e+06 0.00e+00 a 0 - - - 18 3.859 2.031 50.722 1 T 9.440e+06 0.00e+00 a 0 - - - 19 3.949 4.867 50.613 1 T 8.074e+06 0.00e+00 a 0 - - - 20 3.945 4.464 50.636 1 T 2.769e+06 0.00e+00 a 0 - - - 21 3.948 2.373 50.546 1 T 2.221e+06 0.00e+00 a 0 - - - 22 3.957 1.823 50.387 1 T 1.767e+06 0.00e+00 a 0 - - - 25 2.076 3.915 27.686 1 T 1.160e+07 0.00e+00 a 0 - - - 26 2.077 4.464 27.708 1 T 6.435e+06 0.00e+00 a 0 - - - 27 3.919 1.752 46.317 1 T 1.597e+06 0.00e+00 a 0 - - - 28 3.945 0.974 46.106 1 T 1.148e+06 0.00e+00 a 0 - - - 29 3.985 2.275 46.156 1 T 7.658e+05 0.00e+00 a 0 - - - 30 4.005 1.764 46.285 1 T 1.543e+06 0.00e+00 a 0 - - - 31 4.009 0.991 46.306 1 T 1.001e+06 0.00e+00 a 0 - - - 32 4.082 2.235 58.189 1 T 1.699e+07 0.00e+00 a 0 - - - 33 4.073 2.091 58.418 1 T 2.268e+07 0.00e+00 a 0 - - - 34 4.080 1.881 58.307 1 T 1.053e+07 0.00e+00 a 0 - - - 35 4.138 1.577 58.138 1 T 7.082e+06 0.00e+00 a 0 - - - 36 4.095 1.244 58.192 1 T 4.024e+06 0.00e+00 a 0 - - - 37 4.096 0.529 58.336 1 T 2.995e+06 0.00e+00 a 0 - - - 38 4.094 9.063 58.469 1 T 1.533e+06 0.00e+00 a 0 - - - 39 2.073 2.967 29.492 1 T 2.912e+06 0.00e+00 a 0 - - - 40 4.573 3.267 55.479 1 T 4.227e+06 0.00e+00 a 0 - - - 41 4.568 2.757 55.436 1 T 1.573e+07 0.00e+00 a 0 - - - 42 4.568 4.288 55.476 1 T 2.571e+06 0.00e+00 a 0 - - - 43 4.574 6.928 55.529 1 T 1.009e+06 0.00e+00 a 0 - - - 44 2.845 2.049 37.930 1 T 2.209e+06 0.00e+00 a 0 - - - 45 2.849 2.400 37.931 1 T 9.453e+05 0.00e+00 a 0 - - - 46 2.847 1.727 37.972 1 T 1.076e+06 0.00e+00 a 0 - - - 47 2.846 2.943 37.926 1 T 1.813e+07 0.00e+00 a 0 - - - 48 2.847 4.580 37.890 1 T 5.478e+06 0.00e+00 a 0 - - - 49 2.959 2.860 37.948 1 T 1.762e+07 0.00e+00 a 0 - - - 50 2.967 1.745 37.934 1 T 1.097e+06 0.00e+00 a 0 - - - 51 2.953 1.029 37.976 1 T 1.503e+06 0.00e+00 a 0 - - - 52 2.957 4.574 37.913 1 T 5.524e+06 0.00e+00 a 0 - - - 53 4.099 3.447 58.315 1 T 1.344e+06 0.00e+00 a 0 - - - 54 4.097 -0.238 58.345 1 T 1.115e+06 0.00e+00 a 0 - - - 55 1.733 2.064 41.758 1 T 2.906e+06 0.00e+00 a 0 - - - 56 1.745 2.333 41.728 1 T 1.070e+06 0.00e+00 a 0 - - - 57 0.965 2.063 25.413 1 T 1.352e+07 0.00e+00 a 0 - - - 58 0.966 1.760 25.403 1 T 3.056e+07 0.00e+00 a 0 - - - 59 0.965 2.309 25.410 1 T 6.778e+06 0.00e+00 a 0 - - - 60 0.967 2.806 25.414 1 T 1.422e+06 0.00e+00 a 0 - - - 61 0.966 3.961 25.404 1 T 4.592e+06 0.00e+00 a 0 - - - 62 0.965 4.104 25.390 1 T 1.299e+07 0.00e+00 a 0 - - - 63 1.026 1.551 24.877 1 T 5.959e+06 0.00e+00 a 0 - - - 64 1.027 1.755 24.877 1 T 2.208e+07 0.00e+00 a 0 - - - 65 1.027 2.059 24.867 1 T 1.287e+07 0.00e+00 a 0 - - - 66 1.026 2.219 24.876 1 T 6.034e+06 0.00e+00 a 0 - - - 67 1.030 2.783 24.828 1 T 1.027e+06 0.00e+00 a 0 - - - 69 1.032 2.933 24.948 1 T 9.801e+05 0.00e+00 a 0 - - - 70 1.028 3.588 24.940 1 T 1.070e+06 0.00e+00 a 0 - - - 71 1.026 3.415 24.849 1 T 7.452e+05 0.00e+00 a 0 - - - 72 1.027 3.272 24.900 1 T 7.039e+05 0.00e+00 a 0 - - - 73 1.027 4.104 24.873 1 T 1.152e+07 0.00e+00 a 0 - - - 75 1.028 4.480 25.048 1 T 9.667e+05 0.00e+00 a 0 - - - 76 1.026 7.240 24.781 1 T 7.814e+05 0.00e+00 a 0 - - - 77 1.026 8.146 24.702 1 T 6.707e+05 0.00e+00 a 0 - - - 78 3.986 1.891 59.512 1 T 1.638e+07 0.00e+00 a 0 - - - 80 3.984 0.926 59.543 1 T 6.521e+06 0.00e+00 a 0 - - - 81 3.961 0.784 59.637 1 T 7.597e+06 0.00e+00 a 0 - - - 83 3.981 2.942 59.636 1 T 3.256e+06 0.00e+00 a 0 - - - 84 3.984 4.464 59.627 1 T 1.417e+06 0.00e+00 a 0 - - - 86 3.979 8.649 59.786 1 T 2.427e+06 0.00e+00 a 0 - - - 87 1.810 0.700 31.630 1 T 1.657e+06 0.00e+00 a 0 - - - 88 1.892 4.003 32.055 1 T 9.534e+06 0.00e+00 a 0 - - - 91 1.667 2.961 29.148 1 T 3.671e+07 0.00e+00 a 0 - - - 92 1.663 3.689 29.145 1 T 5.893e+06 0.00e+00 a 0 - - - 93 1.671 4.013 29.122 1 T 6.527e+06 0.00e+00 a 0 - - - 94 1.665 7.857 29.122 1 T 1.250e+06 0.00e+00 a 0 - - - 95 2.946 1.699 41.741 1 T 7.788e+07 0.00e+00 a 0 - - - 96 2.938 0.289 41.735 1 T 1.768e+06 0.00e+00 a 0 - - - 97 2.941 0.411 41.741 1 T 1.976e+06 0.00e+00 a 0 - - - 98 2.952 0.890 41.780 1 T 5.671e+06 0.00e+00 a 0 - - - 99 2.941 4.222 41.673 1 T 4.476e+06 0.00e+00 a 0 - - - 100 2.945 4.483 41.710 1 T 5.546e+06 0.00e+00 a 0 - - - 101 2.932 6.927 41.629 1 T 1.305e+06 0.00e+00 a 0 - - - 102 2.935 6.728 41.764 1 T 7.711e+05 0.00e+00 a 0 - - - 103 1.420 0.891 24.951 1 T 4.405e+06 0.00e+00 a 0 - - - 104 1.416 1.675 24.945 1 T 4.963e+07 0.00e+00 a 0 - - - 105 1.416 2.190 24.857 1 T 4.000e+06 0.00e+00 a 0 - - - 106 1.412 1.893 24.806 1 T 2.317e+07 0.00e+00 a 0 - - - 107 1.424 2.501 24.796 1 T 1.517e+06 0.00e+00 a 0 - - - 108 1.418 4.306 24.862 1 T 4.315e+06 0.00e+00 a 0 - - - 109 1.402 3.976 24.952 1 T 5.355e+06 0.00e+00 a 0 - - - 110 1.392 3.688 24.897 1 T 4.267e+06 0.00e+00 a 0 - - - 111 1.414 2.963 24.947 1 T 1.049e+07 0.00e+00 a 0 - - - 112 1.419 3.291 25.017 1 T 1.026e+06 0.00e+00 a 0 - - - 113 1.504 1.911 24.896 1 T 1.840e+07 0.00e+00 a 0 - - - 114 1.507 2.968 24.863 1 T 1.118e+07 0.00e+00 a 0 - - - 115 1.506 3.688 24.855 1 T 3.945e+06 0.00e+00 a 0 - - - 116 1.506 4.013 24.862 1 T 7.294e+06 0.00e+00 a 0 - - - 117 4.429 3.267 58.977 1 T 6.763e+06 0.00e+00 a 0 - - - 119 4.431 1.247 58.965 1 T 2.158e+06 0.00e+00 a 0 - - - 120 4.423 4.239 58.778 1 T 6.462e+06 0.00e+00 a 0 - - - 121 4.425 6.929 59.046 1 T 1.160e+06 0.00e+00 a 0 - - - 122 3.287 4.426 30.683 1 T 2.859e+06 0.00e+00 a 0 - - - 123 3.292 4.568 30.698 1 T 1.792e+06 0.00e+00 a 0 - - - 124 3.292 4.238 30.704 1 T 1.054e+06 0.00e+00 a 0 - - - 125 3.283 4.007 30.607 1 T 6.741e+05 0.00e+00 a 0 - - - 126 3.290 2.897 30.710 1 T 1.175e+06 0.00e+00 a 0 - - - 127 3.282 2.090 30.669 1 T 7.261e+05 0.00e+00 a 0 - - - 128 3.251 4.560 30.671 1 T 1.768e+06 0.00e+00 a 0 - - - 129 3.253 4.434 30.675 1 T 2.840e+06 0.00e+00 a 0 - - - 130 3.242 2.902 30.638 1 T 1.527e+06 0.00e+00 a 0 - - - 133 3.425 4.090 66.004 1 T 7.473e+05 0.00e+00 a 0 - - - 134 3.422 2.043 66.020 1 T 1.901e+06 0.00e+00 a 0 - - - 135 3.437 1.450 66.079 1 T 8.119e+05 0.00e+00 a 0 - - - 136 3.429 1.641 66.026 1 T 2.029e+06 0.00e+00 a 0 - - - 137 3.424 1.063 66.014 1 T 2.810e+06 0.00e+00 a 0 - - - 138 3.423 0.861 66.015 1 T 4.491e+06 0.00e+00 a 0 - - - 139 3.429 0.383 66.008 1 T 9.254e+05 0.00e+00 a 0 - - - 140 2.120 1.060 38.255 1 T 4.949e+06 0.00e+00 a 0 - - - 141 2.106 3.438 38.297 1 T 9.885e+05 0.00e+00 a 0 - - - 142 2.114 4.096 38.287 1 T 1.948e+06 0.00e+00 a 0 - - - 143 1.067 0.385 14.546 1 T 2.103e+06 0.00e+00 a 0 - - - 144 1.067 0.896 14.557 1 T 1.540e+07 0.00e+00 a 0 - - - 145 1.068 1.224 14.550 1 T 4.344e+06 0.00e+00 a 0 - - - 146 1.066 1.422 14.584 1 T 2.673e+06 0.00e+00 a 0 - - - 147 1.066 1.726 14.573 1 T 4.662e+06 0.00e+00 a 0 - - - 148 1.067 2.051 14.573 1 T 1.423e+07 0.00e+00 a 0 - - - 149 1.067 2.402 14.546 1 T 3.905e+06 0.00e+00 a 0 - - - 150 1.070 2.864 14.547 1 T 2.511e+06 0.00e+00 a 0 - - - 151 1.068 3.290 14.564 1 T 1.499e+06 0.00e+00 a 0 - - - 152 0.965 3.203 14.579 1 T 1.066e+06 0.00e+00 a 0 - - - 153 1.067 3.432 14.549 1 T 3.780e+06 0.00e+00 a 0 - - - 154 1.067 3.601 14.590 1 T 2.314e+06 0.00e+00 a 0 - - - 155 1.065 3.866 14.624 1 T 8.952e+05 0.00e+00 a 0 - - - 156 1.068 4.108 14.569 1 T 5.394e+06 0.00e+00 a 0 - - - 157 1.068 4.575 14.576 1 T 1.492e+06 0.00e+00 a 0 - - - 158 1.067 7.232 14.552 1 T 3.458e+06 0.00e+00 a 0 - - - 159 1.067 8.840 14.581 1 T 1.166e+06 0.00e+00 a 0 - - - 160 0.763 1.066 30.765 1 T 2.315e+06 0.00e+00 a 0 - - - 161 0.760 1.670 30.811 1 T 8.626e+05 0.00e+00 a 0 - - - 163 0.766 2.045 30.723 1 T 1.757e+06 0.00e+00 a 0 - - - 164 0.755 3.411 30.708 1 T 8.715e+05 0.00e+00 a 0 - - - 165 0.882 0.387 18.299 1 T 7.589e+06 0.00e+00 a 0 - - - 166 0.882 0.565 18.291 1 T 2.832e+06 0.00e+00 a 0 - - - 167 0.882 1.060 18.274 1 T 2.320e+07 0.00e+00 a 0 - - - 168 0.882 2.092 18.269 1 T 9.089e+06 0.00e+00 a 0 - - - 169 0.888 2.918 18.243 1 T 9.125e+05 0.00e+00 a 0 - - - 170 0.882 3.429 18.307 1 T 4.422e+06 0.00e+00 a 0 - - - 171 0.883 3.598 18.194 1 T 3.138e+06 0.00e+00 a 0 - - - 172 0.881 4.105 18.201 1 T 3.131e+06 0.00e+00 a 0 - - - 173 0.881 7.230 18.306 1 T 6.299e+06 0.00e+00 a 0 - - - 174 0.883 8.167 18.210 1 T 1.260e+06 0.00e+00 a 0 - - - 175 3.574 3.968 65.905 1 T 1.044e+06 0.00e+00 a 0 - - - 176 3.583 1.821 65.909 1 T 2.636e+06 0.00e+00 a 0 - - - 177 3.579 0.934 65.895 1 T 7.150e+06 0.00e+00 a 0 - - - 178 3.575 0.771 65.894 1 T 2.926e+06 0.00e+00 a 0 - - - 179 1.865 3.578 38.530 1 T 1.420e+06 0.00e+00 a 0 - - - 180 1.866 3.982 38.543 1 T 2.202e+06 0.00e+00 a 0 - - - 181 1.870 8.115 38.528 1 T 6.648e+05 0.00e+00 a 0 - - - 182 0.766 0.924 14.318 1 T 2.566e+07 0.00e+00 a 0 - - - 183 0.767 1.555 14.323 1 T 3.381e+06 0.00e+00 a 0 - - - 184 0.766 1.822 14.329 1 T 1.267e+07 0.00e+00 a 0 - - - 185 0.766 2.123 14.333 1 T 8.277e+06 0.00e+00 a 0 - - - 186 0.766 2.353 14.334 1 T 5.715e+06 0.00e+00 a 0 - - - 187 0.767 3.581 14.326 1 T 3.769e+06 0.00e+00 a 0 - - - 188 0.766 3.964 14.346 1 T 8.363e+06 0.00e+00 a 0 - - - 189 0.772 8.148 14.287 1 T 1.502e+06 0.00e+00 a 0 - - - 190 0.966 1.811 30.138 1 T 1.912e+06 0.00e+00 a 0 - - - 192 0.962 2.164 30.066 1 T 8.237e+05 0.00e+00 a 0 - - - 193 1.793 0.904 30.117 1 T 6.111e+06 0.00e+00 a 0 - - - 194 1.757 3.592 30.045 1 T 3.056e+06 0.00e+00 a 0 - - - 195 0.906 1.856 17.456 1 T 1.338e+07 0.00e+00 a 0 - - - 196 0.906 2.130 17.541 1 T 8.324e+06 0.00e+00 a 0 - - - 197 0.907 2.382 17.438 1 T 5.895e+06 0.00e+00 a 0 - - - 198 0.907 2.663 17.419 1 T 2.598e+06 0.00e+00 a 0 - - - 199 0.906 3.579 17.455 1 T 6.528e+06 0.00e+00 a 0 - - - 200 0.906 3.954 17.446 1 T 5.940e+06 0.00e+00 a 0 - - - 201 0.850 4.162 17.521 1 T 1.098e+07 0.00e+00 a 0 - - - 202 0.906 8.142 17.552 1 T 1.680e+06 0.00e+00 a 0 - - - 203 0.904 8.640 17.545 1 T 9.552e+05 0.00e+00 a 0 - - - 204 3.897 2.417 66.675 1 T 2.967e+06 0.00e+00 a 0 - - - 205 3.895 4.230 66.626 1 T 3.969e+06 0.00e+00 a 0 - - - 206 3.893 1.245 66.712 1 T 8.321e+06 0.00e+00 a 0 - - - 207 3.890 0.930 66.604 1 T 2.996e+06 0.00e+00 a 0 - - - 208 3.906 8.579 66.531 1 T 8.030e+05 0.00e+00 a 0 - - - 209 4.213 4.016 69.129 1 T 1.077e+07 0.00e+00 a 0 - - - 210 4.215 1.994 69.028 1 T 8.766e+05 0.00e+00 a 0 - - - 211 4.219 1.254 69.008 1 T 2.344e+07 0.00e+00 a 0 - - - 212 1.237 2.058 21.960 1 T 9.281e+06 0.00e+00 a 0 - - - 213 1.239 2.896 21.828 1 T 2.180e+06 0.00e+00 a 0 - - - 214 1.239 3.091 21.889 1 T 2.000e+06 0.00e+00 a 0 - - - 215 1.239 3.866 21.820 1 T 1.880e+07 0.00e+00 a 0 - - - 216 4.090 0.863 57.783 1 T 2.130e+07 0.00e+00 a 0 - - - 217 4.089 8.597 57.767 1 T 1.032e+06 0.00e+00 a 0 - - - 218 1.637 0.389 41.911 1 T 2.031e+06 0.00e+00 a 0 - - - 219 1.650 1.066 41.879 1 T 3.210e+06 0.00e+00 a 0 - - - 220 1.648 0.887 41.959 1 T 2.217e+07 0.00e+00 a 0 - - - 222 1.624 8.629 41.970 1 T 1.348e+06 0.00e+00 a 0 - - - 223 0.813 -0.077 25.902 1 T 8.501e+06 0.00e+00 a 0 - - - 224 0.811 2.514 26.380 1 T 4.301e+06 0.00e+00 a 0 - - - 225 0.812 8.651 26.416 1 T 2.984e+06 0.00e+00 a 0 - - - 226 0.812 8.180 26.395 1 T 1.447e+06 0.00e+00 a 0 - - - 228 0.872 1.677 24.148 1 T 5.238e+07 0.00e+00 a 0 - - - 229 0.879 2.786 24.294 1 T 4.435e+06 0.00e+00 a 0 - - - 230 0.872 2.974 24.127 1 T 3.126e+06 0.00e+00 a 0 - - - 231 1.460 0.836 27.346 1 T 8.383e+06 0.00e+00 a 0 - - - 232 1.456 0.543 27.212 1 T 9.226e+05 0.00e+00 a 0 - - - 233 1.474 1.629 27.299 1 T 7.892e+06 0.00e+00 a 0 - - - 234 1.484 4.090 27.260 1 T 1.202e+06 0.00e+00 a 0 - - - 235 3.538 0.936 47.471 1 T 1.988e+06 0.00e+00 a 0 - - - 236 3.611 0.942 47.406 1 T 1.850e+06 0.00e+00 a 0 - - - 238 4.018 3.207 59.306 1 T 3.531e+06 0.00e+00 a 0 - - - 239 4.008 2.664 59.284 1 T 3.610e+06 0.00e+00 a 0 - 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- - 1836 3.365 2.087 43.056 1 T 3.076e+06 0.00e+00 a 0 - - - 1837 3.363 4.639 42.982 1 T 9.386e+05 0.00e+00 a 0 - - - 1838 1.793 0.409 26.899 1 T 1.267e+06 0.00e+00 a 0 - - - 1839 1.784 0.900 26.856 1 T 1.235e+07 0.00e+00 a 0 - - - 1840 1.788 2.087 26.949 1 T 1.831e+07 0.00e+00 a 0 - - - 1841 1.795 2.547 26.980 1 T 1.724e+06 0.00e+00 a 0 - - - 1842 1.782 2.980 26.805 1 T 2.268e+06 0.00e+00 a 0 - - - 1843 1.783 2.751 26.924 1 T 1.501e+06 0.00e+00 a 0 - - - 1844 1.785 3.301 26.945 1 T 1.307e+07 0.00e+00 a 0 - - - 1845 1.787 4.172 26.896 1 T 1.094e+07 0.00e+00 a 0 - - - 1846 1.793 4.456 26.964 1 T 2.585e+06 0.00e+00 a 0 - - - 1847 1.780 4.632 26.920 1 T 2.245e+06 0.00e+00 a 0 - - - 1848 4.230 9.071 60.155 1 T 9.623e+05 0.00e+00 a 0 - - - 1849 4.226 2.736 60.057 1 T 2.175e+06 0.00e+00 a 0 - - - 1850 4.223 2.974 60.068 1 T 3.846e+06 0.00e+00 a 0 - - - 1851 4.219 1.002 60.070 1 T 1.107e+06 0.00e+00 a 0 - - - 1852 1.838 1.152 29.040 1 T 1.466e+06 0.00e+00 a 0 - - - 1853 1.827 1.698 29.071 1 T 3.127e+07 0.00e+00 a 0 - - - 1854 1.831 2.997 29.143 1 T 7.821e+06 0.00e+00 a 0 - - - 1855 1.713 1.990 25.962 1 T 4.431e+06 0.00e+00 a 0 - - - 1856 1.715 2.979 25.895 1 T 4.436e+06 0.00e+00 a 0 - - - 1857 4.077 2.943 58.183 1 T 2.150e+06 0.00e+00 a 0 - - - 1858 1.529 0.915 42.165 1 T 1.141e+07 0.00e+00 a 0 - - - 1859 1.557 2.338 42.254 1 T 2.007e+06 0.00e+00 a 0 - - - 1860 1.569 4.579 42.319 1 T 7.240e+05 0.00e+00 a 0 - - - 1861 1.568 9.058 42.383 1 T 9.820e+05 0.00e+00 a 0 - - - 1862 2.352 9.068 42.366 1 T 1.141e+06 0.00e+00 a 0 - - - 1863 2.280 8.996 42.163 1 T 5.119e+05 0.00e+00 a 0 - - - 1864 2.324 7.308 42.362 1 T 6.712e+05 0.00e+00 a 0 - - - 1866 1.533 7.293 42.318 1 T 8.153e+05 0.00e+00 a 0 - - - 1867 2.352 1.562 42.235 1 T 1.775e+06 0.00e+00 a 0 - - - 1868 2.347 0.778 42.300 1 T 2.877e+06 0.00e+00 a 0 - - - 1869 0.769 -0.225 25.837 1 T 1.273e+06 0.00e+00 a 0 - - - 1870 0.768 0.535 25.848 1 T 8.424e+06 0.00e+00 a 0 - - - 1871 0.768 1.962 25.880 1 T 7.052e+06 0.00e+00 a 0 - - - 1872 0.766 4.103 26.088 1 T 4.213e+06 0.00e+00 a 0 - - - 1873 0.770 3.893 25.924 1 T 2.520e+06 0.00e+00 a 0 - - - 1874 0.767 2.953 25.967 1 T 1.027e+06 0.00e+00 a 0 - - - 1875 0.768 4.588 25.831 1 T 2.845e+06 0.00e+00 a 0 - - - 1876 0.772 7.259 25.851 1 T 3.184e+06 0.00e+00 a 0 - - - 1877 0.766 7.587 25.751 1 T 7.285e+05 0.00e+00 a 0 - - - 1878 0.767 8.155 25.740 1 T 7.528e+05 0.00e+00 a 0 - - - 1879 0.767 9.063 25.825 1 T 2.194e+06 0.00e+00 a 0 - - - 1880 0.763 8.452 25.640 1 T 5.297e+05 0.00e+00 a 0 - - - 1881 0.782 9.063 23.849 1 T 2.678e+06 0.00e+00 a 0 - - - 1882 0.783 8.173 23.860 1 T 1.319e+06 0.00e+00 a 0 - - - 1883 0.783 7.956 23.888 1 T 1.037e+06 0.00e+00 a 0 - - - 1884 0.782 7.240 23.840 1 T 5.248e+06 0.00e+00 a 0 - - - 1885 0.781 6.836 23.909 1 T 9.934e+05 0.00e+00 a 0 - - - 1886 0.781 1.566 23.799 1 T 1.397e+07 0.00e+00 a 0 - - - 1887 0.778 -0.075 23.856 1 T 1.164e+06 0.00e+00 a 0 - - - 1888 3.846 3.375 61.378 1 T 1.803e+06 0.00e+00 a 0 - - - 1889 3.840 0.789 61.435 1 T 1.212e+06 0.00e+00 a 0 - - - 1890 3.720 3.835 62.569 1 T 1.586e+07 0.00e+00 a 0 - - - 1891 3.721 4.192 62.655 1 T 1.911e+06 0.00e+00 a 0 - - - 1892 3.724 8.127 62.550 1 T 8.911e+05 0.00e+00 a 0 - - - 1893 3.716 7.551 62.559 1 T 9.815e+05 0.00e+00 a 0 - - - 1894 3.720 7.291 62.584 1 T 1.164e+06 0.00e+00 a 0 - - - 1895 3.825 7.530 62.538 1 T 7.547e+05 0.00e+00 a 0 - - - 1896 3.839 7.302 62.539 1 T 1.135e+06 0.00e+00 a 0 - - - 1897 3.836 3.344 62.528 1 T 1.054e+06 0.00e+00 a 0 - - - 1898 3.835 2.974 62.636 1 T 8.135e+05 0.00e+00 a 0 - - - 1899 3.717 2.964 62.584 1 T 7.585e+05 0.00e+00 a 0 - - - 1900 3.837 1.990 62.553 1 T 8.839e+05 0.00e+00 a 0 - - - 1901 3.837 1.762 62.594 1 T 8.816e+05 0.00e+00 a 0 - - - 1903 4.467 1.715 57.690 1 T 4.391e+06 0.00e+00 a 0 - - - 1904 4.467 1.997 57.697 1 T 5.168e+06 0.00e+00 a 0 - - - 1905 4.461 2.744 57.620 1 T 8.986e+06 0.00e+00 a 0 - - - 1906 4.458 1.436 57.658 1 T 1.980e+06 0.00e+00 a 0 - - - 1907 2.973 4.471 40.418 1 T 3.695e+06 0.00e+00 a 0 - - - 1908 2.973 4.234 40.379 1 T 3.249e+06 0.00e+00 a 0 - - - 1909 2.973 2.733 40.467 1 T 9.961e+06 0.00e+00 a 0 - - - 1910 4.037 1.100 65.562 1 T 4.619e+06 0.00e+00 a 0 - - - 1911 4.038 2.112 65.560 1 T 4.310e+06 0.00e+00 a 0 - - - 1912 4.039 2.356 65.580 1 T 3.960e+06 0.00e+00 a 0 - - - 1913 2.355 7.229 31.287 1 T 1.422e+06 0.00e+00 a 0 - - - 1914 2.360 4.063 31.492 1 T 6.372e+06 0.00e+00 a 0 - - - 1915 2.358 1.574 31.460 1 T 2.394e+06 0.00e+00 a 0 - - - 1916 2.358 1.242 31.381 1 T 7.876e+06 0.00e+00 a 0 - - - 1917 1.090 2.121 22.078 1 T 2.337e+07 0.00e+00 a 0 - - - 1918 1.091 1.681 22.169 1 T 9.688e+06 0.00e+00 a 0 - - - 1919 1.097 1.559 22.190 1 T 8.458e+06 0.00e+00 a 0 - - - 1920 1.094 1.419 22.190 1 T 7.325e+06 0.00e+00 a 0 - - - 1921 1.100 3.446 22.208 1 T 3.355e+06 0.00e+00 a 0 - - - 1922 1.098 3.296 22.183 1 T 6.033e+06 0.00e+00 a 0 - - - 1923 1.096 2.988 22.230 1 T 2.013e+06 0.00e+00 a 0 - - - 1924 1.094 4.309 22.126 1 T 3.846e+06 0.00e+00 a 0 - - - 1925 1.095 4.078 22.214 1 T 1.288e+07 0.00e+00 a 0 - - - 1926 1.090 3.863 22.075 1 T 1.546e+07 0.00e+00 a 0 - - - 1927 1.099 4.533 22.184 1 T 5.204e+06 0.00e+00 a 0 - - - 1928 1.100 7.229 22.165 1 T 5.324e+06 0.00e+00 a 0 - - - 1929 1.096 7.007 22.229 1 T 7.565e+05 0.00e+00 a 0 - - - 1930 1.098 7.944 22.189 1 T 1.098e+06 0.00e+00 a 0 - - - 1931 1.100 8.814 22.043 1 T 6.018e+05 0.00e+00 a 0 - - - 1932 1.243 9.060 23.236 1 T 9.016e+05 0.00e+00 a 0 - - - 1933 1.241 7.950 23.126 1 T 1.242e+06 0.00e+00 a 0 - - - 1934 1.241 7.229 23.115 1 T 4.316e+06 0.00e+00 a 0 - - - 1935 1.241 4.530 23.100 1 T 5.086e+06 0.00e+00 a 0 - - - 1936 1.242 4.205 23.074 1 T 6.432e+06 0.00e+00 a 0 - - - 1937 1.241 4.052 23.088 1 T 1.259e+07 0.00e+00 a 0 - - - 1938 1.240 3.680 23.064 1 T 1.067e+06 0.00e+00 a 0 - - - 1939 1.242 3.433 23.098 1 T 2.283e+06 0.00e+00 a 0 - - - 1940 1.241 3.284 23.101 1 T 5.140e+06 0.00e+00 a 0 - - - 1941 1.241 2.973 23.077 1 T 2.712e+06 0.00e+00 a 0 - - - 1942 1.241 2.738 23.139 1 T 1.734e+06 0.00e+00 a 0 - - - 1943 1.241 2.356 23.109 1 T 1.385e+07 0.00e+00 a 0 - - - 1944 1.241 2.011 23.065 1 T 9.429e+06 0.00e+00 a 0 - - - 1945 1.241 1.718 23.096 1 T 6.881e+06 0.00e+00 a 0 - - - 1946 1.241 1.558 23.129 1 T 1.323e+07 0.00e+00 a 0 - - - 1947 1.240 1.397 23.114 1 T 8.668e+06 0.00e+00 a 0 - - - 1948 1.239 0.911 23.229 1 T 4.739e+06 0.00e+00 a 0 - - - 1949 1.241 0.784 23.122 1 T 5.825e+06 0.00e+00 a 0 - - - 1950 3.417 4.323 29.456 1 T 1.067e+06 0.00e+00 a 0 - - - 1951 3.356 4.326 29.443 1 T 8.743e+05 0.00e+00 a 0 - - - 1952 3.690 0.873 60.357 1 T 1.578e+06 0.00e+00 a 0 - - - 1953 3.693 1.094 60.315 1 T 8.318e+05 0.00e+00 a 0 - - - 1954 3.687 1.427 60.225 1 T 3.923e+06 0.00e+00 a 0 - - - 1955 3.687 1.681 60.246 1 T 5.575e+06 0.00e+00 a 0 - - - 1956 3.682 2.609 60.270 1 T 9.349e+05 0.00e+00 a 0 - - - 1957 3.689 4.481 60.330 1 T 8.679e+05 0.00e+00 a 0 - - - 1958 3.693 6.991 60.281 1 T 7.556e+05 0.00e+00 a 0 - - - 1960 2.004 3.698 32.184 1 T 7.108e+06 0.00e+00 a 0 - - - 1961 1.729 0.826 29.347 1 T 7.480e+06 0.00e+00 a 0 - - - 1962 1.714 3.689 29.364 1 T 4.203e+06 0.00e+00 a 0 - - - 1963 1.672 3.450 29.223 1 T 1.553e+06 0.00e+00 a 0 - - - 1964 1.715 4.469 29.324 1 T 4.570e+06 0.00e+00 a 0 - - - 1965 1.686 6.930 29.367 1 T 1.541e+06 0.00e+00 a 0 - - - 1966 1.658 0.876 25.329 1 T 2.707e+06 0.00e+00 a 0 - - - 1967 1.654 1.446 25.239 1 T 1.982e+07 0.00e+00 a 0 - - - 1968 1.656 1.977 25.086 1 T 7.718e+06 0.00e+00 a 0 - - - 1969 1.654 2.969 25.261 1 T 5.233e+06 0.00e+00 a 0 - - - 1970 1.657 3.691 25.127 1 T 2.749e+06 0.00e+00 a 0 - - - 1971 1.659 4.465 25.165 1 T 1.098e+06 0.00e+00 a 0 - - - 1972 2.105 0.905 30.051 1 T 4.054e+06 0.00e+00 a 0 - - - 1973 2.105 1.451 30.038 1 T 5.214e+06 0.00e+00 a 0 - - - 1974 2.105 3.275 30.078 1 T 4.531e+06 0.00e+00 a 0 - - - 1975 2.157 3.845 36.116 1 T 2.002e+06 0.00e+00 a 0 - - - 1976 2.150 4.064 36.142 1 T 5.960e+06 0.00e+00 a 0 - - - 1977 2.154 2.349 36.101 1 T 1.846e+07 0.00e+00 a 0 - - - 1978 2.154 1.443 36.135 1 T 3.679e+06 0.00e+00 a 0 - - - 1979 2.154 1.668 36.147 1 T 2.007e+06 0.00e+00 a 0 - - - 1980 2.154 0.746 36.125 1 T 2.815e+06 0.00e+00 a 0 - - - 1981 2.353 0.743 36.098 1 T 2.411e+06 0.00e+00 a 0 - - - 1982 2.350 0.858 36.173 1 T 1.707e+06 0.00e+00 a 0 - - - 1983 2.352 1.103 36.048 1 T 7.388e+05 0.00e+00 a 0 - - - 1984 2.368 1.257 36.174 1 T 1.569e+06 0.00e+00 a 0 - - - 1985 2.351 1.447 36.146 1 T 2.322e+06 0.00e+00 a 0 - - - 1987 2.350 1.685 36.153 1 T 1.758e+06 0.00e+00 a 0 - - - 1988 2.358 2.135 36.102 1 T 3.268e+07 0.00e+00 a 0 - - - 1989 2.353 4.060 36.142 1 T 6.164e+06 0.00e+00 a 0 - - - 1990 3.780 4.315 57.834 1 T 7.737e+05 0.00e+00 a 0 - - - 1991 3.782 1.441 57.752 1 T 4.248e+06 0.00e+00 a 0 - - - 1992 3.782 1.313 57.712 1 T 3.113e+06 0.00e+00 a 0 - - - 1993 3.780 0.714 57.763 1 T 5.262e+06 0.00e+00 a 0 - - - 1994 3.783 1.091 57.738 1 T 9.113e+05 0.00e+00 a 0 - - - 1995 1.334 4.309 42.209 1 T 7.401e+05 0.00e+00 a 0 - - - 1996 1.329 3.772 42.351 1 T 1.318e+06 0.00e+00 a 0 - - - 1997 1.321 0.611 42.270 1 T 1.977e+06 0.00e+00 a 0 - - - 1998 1.428 0.697 42.180 1 T 2.362e+06 0.00e+00 a 0 - - - 1999 1.434 0.605 42.184 1 T 2.073e+06 0.00e+00 a 0 - - - 2000 1.435 1.100 42.269 1 T 8.928e+05 0.00e+00 a 0 - - - 2001 1.434 1.328 42.173 1 T 2.920e+06 0.00e+00 a 0 - - - 2002 1.430 2.071 42.182 1 T 7.775e+05 0.00e+00 a 0 - - - 2003 1.429 3.804 42.261 1 T 9.295e+05 0.00e+00 a 0 - - - 2004 1.441 4.307 42.169 1 T 1.437e+06 0.00e+00 a 0 - - - 2005 1.429 7.007 42.258 1 T 6.034e+05 0.00e+00 a 0 - - - 2006 0.589 6.700 25.724 1 T 1.697e+06 0.00e+00 a 0 - - - 2007 0.589 7.015 25.761 1 T 2.723e+06 0.00e+00 a 0 - - - 2008 0.590 7.227 25.752 1 T 2.874e+06 0.00e+00 a 0 - - - 2009 0.589 4.528 25.689 1 T 1.088e+06 0.00e+00 a 0 - - - 2010 0.589 4.321 25.715 1 T 1.994e+06 0.00e+00 a 0 - - - 2011 0.590 4.125 25.766 1 T 3.353e+06 0.00e+00 a 0 - - - 2012 0.590 3.782 25.736 1 T 3.059e+06 0.00e+00 a 0 - - - 2013 0.590 3.435 25.731 1 T 2.544e+06 0.00e+00 a 0 - - - 2014 0.590 3.307 25.737 1 T 3.082e+06 0.00e+00 a 0 - - - 2015 0.589 2.781 25.703 1 T 1.057e+06 0.00e+00 a 0 - - - 2016 0.588 2.918 25.714 1 T 5.422e+05 0.00e+00 a 0 - - - 2017 0.590 2.390 25.709 1 T 1.984e+06 0.00e+00 a 0 - - - 2018 0.590 2.055 25.742 1 T 3.739e+06 0.00e+00 a 0 - - - 2019 0.591 1.829 25.761 1 T 2.303e+06 0.00e+00 a 0 - - - 2020 0.590 1.671 25.772 1 T 2.657e+06 0.00e+00 a 0 - - - 2021 0.590 1.434 25.735 1 T 8.126e+06 0.00e+00 a 0 - - - 2022 0.590 1.279 25.746 1 T 9.247e+06 0.00e+00 a 0 - - - 2023 0.590 1.070 25.724 1 T 6.544e+06 0.00e+00 a 0 - - - 2024 0.590 0.902 25.709 1 T 9.130e+06 0.00e+00 a 0 - - - 2025 0.696 -0.078 24.583 1 T 7.275e+05 0.00e+00 a 0 - - - 2026 0.698 1.064 24.609 1 T 5.558e+06 0.00e+00 a 0 - - - 2027 0.698 1.278 24.607 1 T 9.582e+06 0.00e+00 a 0 - - - 2028 0.698 2.055 24.615 1 T 5.270e+06 0.00e+00 a 0 - - - 2029 0.698 1.831 24.599 1 T 3.652e+06 0.00e+00 a 0 - - - 2030 0.698 1.679 24.591 1 T 4.138e+06 0.00e+00 a 0 - - - 2031 0.698 1.437 24.602 1 T 1.064e+07 0.00e+00 a 0 - - - 2032 0.698 2.385 24.623 1 T 3.538e+06 0.00e+00 a 0 - - - 2033 0.700 2.784 24.621 1 T 2.194e+06 0.00e+00 a 0 - - - 2034 0.700 3.310 24.631 1 T 1.779e+06 0.00e+00 a 0 - - - 2035 0.696 4.506 24.657 1 T 5.783e+05 0.00e+00 a 0 - - - 2036 0.700 4.319 24.631 1 T 1.653e+06 0.00e+00 a 0 - - - 2037 0.698 4.129 24.603 1 T 4.419e+06 0.00e+00 a 0 - - - 2038 0.699 3.783 24.622 1 T 5.546e+06 0.00e+00 a 0 - - - 2039 0.698 7.223 24.607 1 T 1.486e+06 0.00e+00 a 0 - - - 2040 0.702 7.025 24.583 1 T 6.700e+05 0.00e+00 a 0 - - - 2041 1.262 0.696 26.793 1 T 4.015e+06 0.00e+00 a 0 - - - 2042 1.253 0.879 26.886 1 T 1.918e+06 0.00e+00 a 0 - - - 2043 3.289 3.023 61.563 1 T 2.474e+06 0.00e+00 a 0 - - - 2044 3.289 2.600 61.585 1 T 2.260e+06 0.00e+00 a 0 - - - 2045 3.292 2.081 61.589 1 T 9.230e+05 0.00e+00 a 0 - - - 2046 3.299 1.846 61.563 1 T 8.857e+05 0.00e+00 a 0 - - - 2047 3.284 1.391 61.546 1 T 8.349e+05 0.00e+00 a 0 - - - 2048 3.298 0.893 61.563 1 T 1.286e+06 0.00e+00 a 0 - - - 2049 3.283 1.082 61.597 1 T 7.119e+05 0.00e+00 a 0 - - - 2050 3.291 0.696 61.587 1 T 1.952e+06 0.00e+00 a 0 - - - 2051 3.014 0.898 61.730 1 T 1.235e+06 0.00e+00 a 0 - - - 2054 3.017 2.602 61.754 1 T 4.604e+06 0.00e+00 a 0 - - - 2055 3.020 3.290 61.750 1 T 2.401e+06 0.00e+00 a 0 - - - 2056 2.607 3.019 61.728 1 T 4.094e+06 0.00e+00 a 0 - - - 2057 2.607 3.297 61.679 1 T 2.196e+06 0.00e+00 a 0 - - - 2059 2.615 0.907 61.646 1 T 8.739e+05 0.00e+00 a 0 - - - 2060 2.615 0.716 61.655 1 T 6.233e+05 0.00e+00 a 0 - - - 2061 1.668 4.077 41.771 1 T 9.094e+06 0.00e+00 a 0 - - - 2062 4.130 0.897 57.559 1 T 1.716e+07 0.00e+00 a 0 - - - 2063 1.868 3.778 42.963 1 T 9.202e+05 0.00e+00 a 0 - - - 2064 1.336 0.824 43.006 1 T 2.926e+06 0.00e+00 a 0 - - - 2065 1.338 1.843 43.037 1 T 2.382e+06 0.00e+00 a 0 - - - 2066 1.347 4.113 42.960 1 T 1.286e+06 0.00e+00 a 0 - - - 2067 0.738 3.784 26.687 1 T 2.494e+06 0.00e+00 a 0 - - - 2068 0.739 4.126 26.703 1 T 7.040e+06 0.00e+00 a 0 - - - 2069 0.741 3.258 26.662 1 T 5.796e+05 0.00e+00 a 0 - - - 2070 0.739 3.001 26.760 1 T 1.137e+06 0.00e+00 a 0 - - - 2071 0.735 2.607 26.684 1 T 5.464e+05 0.00e+00 a 0 - - - 2072 0.739 2.113 26.674 1 T 4.849e+06 0.00e+00 a 0 - - - 2073 0.739 1.804 26.717 1 T 1.265e+07 0.00e+00 a 0 - - - 2074 0.739 1.445 26.709 1 T 1.120e+07 0.00e+00 a 0 - - - 2075 0.823 4.106 22.977 1 T 1.463e+07 0.00e+00 a 0 - - - 2076 0.822 1.788 22.950 1 T 2.235e+07 0.00e+00 a 0 - 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- - 2340 4.232 6.977 56.264 1 T 8.922e+05 0.00e+00 a 0 - - - 2341 1.863 7.862 28.880 1 T 6.166e+05 0.00e+00 a 0 - - - 2342 1.872 7.339 28.937 1 T 6.297e+05 0.00e+00 a 0 - - - 2343 1.863 6.948 28.822 1 T 7.473e+05 0.00e+00 a 0 - - - 2344 1.871 2.211 28.949 1 T 9.978e+06 0.00e+00 a 0 - - - 2345 2.052 4.224 29.020 1 T 1.052e+07 0.00e+00 a 0 - - - 2346 2.068 7.871 29.192 1 T 5.151e+05 0.00e+00 a 0 - - - 2347 2.034 7.307 28.713 1 T 5.841e+05 0.00e+00 a 0 - - - 2348 2.016 7.022 28.781 1 T 7.045e+05 0.00e+00 a 0 - - - 2349 2.217 7.332 33.526 1 T 8.099e+05 0.00e+00 a 0 - - - 2350 2.222 4.492 33.356 1 T 3.783e+06 0.00e+00 a 0 - - - 2351 2.219 4.231 33.531 1 T 7.537e+06 0.00e+00 a 0 - - - 2352 2.220 3.892 33.492 1 T 2.375e+06 0.00e+00 a 0 - - - 2353 2.217 2.950 33.434 1 T 1.009e+06 0.00e+00 a 0 - - - 2354 2.232 2.441 33.577 1 T 6.522e+06 0.00e+00 a 0 - - - 2355 2.201 1.517 33.426 1 T 1.308e+06 0.00e+00 a 0 - - - 2356 2.220 -0.074 33.614 1 T 1.310e+06 0.00e+00 a 0 - - - 2357 2.951 3.619 45.090 1 T 5.875e+06 0.00e+00 a 0 - - - 2358 3.617 2.945 45.100 1 T 7.984e+06 0.00e+00 a 0 - - - 2359 4.261 1.444 53.782 1 T 2.039e+07 0.00e+00 a 0 - - - 2360 1.441 4.260 18.927 1 T 3.373e+07 0.00e+00 a 0 - - - 2361 1.445 3.445 18.750 1 T 8.908e+05 0.00e+00 a 0 - - - 2362 4.606 2.195 58.417 1 T 2.817e+06 0.00e+00 a 0 - - - 2363 4.611 2.457 58.534 1 T 1.530e+06 0.00e+00 a 0 - - - 2364 4.606 4.160 58.526 1 T 6.885e+06 0.00e+00 a 0 - - - 2365 4.606 4.008 58.542 1 T 6.324e+06 0.00e+00 a 0 - - - 2366 4.605 1.445 58.376 1 T 1.228e+06 0.00e+00 a 0 - - - 2367 4.007 4.604 63.675 1 T 6.208e+06 0.00e+00 a 0 - - - 2368 4.008 4.157 63.667 1 T 1.655e+07 0.00e+00 a 0 - - - 2369 4.007 2.466 63.711 1 T 1.305e+06 0.00e+00 a 0 - - - 2370 4.007 2.191 63.642 1 T 2.172e+06 0.00e+00 a 0 - - - 2371 3.998 1.429 63.629 1 T 8.034e+05 0.00e+00 a 0 - - - 2372 4.156 2.461 63.675 1 T 1.223e+06 0.00e+00 a 0 - - - 2373 4.158 4.014 63.632 1 T 1.771e+07 0.00e+00 a 0 - - - 2374 4.159 4.594 63.616 1 T 7.498e+06 0.00e+00 a 0 - - - 2375 4.556 7.025 58.798 1 T 3.145e+06 0.00e+00 a 0 - 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- - 2564 2.387 4.152 36.281 1 T 5.887e+06 0.00e+00 a 0 - - - 2565 3.043 3.895 37.718 1 T 8.693e+05 0.00e+00 a 0 - - - 2566 3.034 4.598 37.700 1 T 1.625e+06 0.00e+00 a 0 - - - 2568 3.044 7.497 37.548 1 T 5.659e+05 0.00e+00 a 0 - - - 2570 0.881 1.445 24.227 1 T 1.517e+07 0.00e+00 a 0 - - - 2571 0.878 0.726 24.271 1 T 3.734e+07 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 . . 18.023 ppm . . . 4.84 . . 34526 1 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 1 3 . . C 13 C-aliphatic . . 66.084 ppm . . . 43.8 . . 34526 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34526 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _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 HC #INAME 2 H #INAME 3 C #SPECTRUM C13NOESY HC H C 67 6.924 4.571 118.616 1 T 1.366e+06 0.00e+00 a 0 - - - 68 6.924 4.428 118.584 1 T 1.445e+06 0.00e+00 a 0 - - - 69 6.927 4.116 118.630 1 T 5.678e+05 0.00e+00 a 0 - - - 70 6.925 3.265 118.588 1 T 2.848e+06 0.00e+00 a 0 - - - 71 6.926 2.905 118.526 1 T 2.106e+06 0.00e+00 a 0 - - - 72 6.925 2.058 118.537 1 T 1.282e+06 0.00e+00 a 0 - - - 73 6.925 1.896 118.540 1 T 9.890e+05 0.00e+00 a 0 - - - 74 6.929 1.685 118.493 1 T 2.472e+06 0.00e+00 a 0 - - - 75 6.928 1.431 118.473 1 T 1.366e+06 0.00e+00 a 0 - - - 76 6.930 1.276 118.505 1 T 1.377e+06 0.00e+00 a 0 - - - 77 6.928 0.853 118.532 1 T 2.488e+06 0.00e+00 a 0 - - - 78 7.891 1.681 138.101 1 T 5.051e+05 0.00e+00 a 0 - - - 79 7.897 1.855 138.123 1 T 7.978e+05 0.00e+00 a 0 - - - 80 7.893 3.125 138.004 1 T 9.321e+05 0.00e+00 a 0 - - - 81 6.832 3.177 121.650 1 T 1.540e+06 0.00e+00 a 0 - - - 82 6.830 3.473 121.591 1 T 5.773e+05 0.00e+00 a 0 - - - 83 6.832 3.931 121.692 1 T 1.095e+06 0.00e+00 a 0 - - - 85 6.834 1.957 121.595 1 T 8.676e+05 0.00e+00 a 0 - - - 86 6.831 1.553 121.599 1 T 1.385e+06 0.00e+00 a 0 - - - 87 6.830 0.428 121.619 1 T 1.092e+06 0.00e+00 a 0 - - - 88 6.828 0.291 121.671 1 T 1.254e+06 0.00e+00 a 0 - - - 89 7.640 1.957 137.908 1 T 2.964e+06 0.00e+00 a 0 - - - 90 7.637 0.415 137.822 1 T 1.108e+06 0.00e+00 a 0 - - - 91 7.636 0.287 137.890 1 T 1.487e+06 0.00e+00 a 0 - - - 92 7.640 7.882 138.019 1 T 1.179e+06 0.00e+00 a 0 - - - 94 7.277 6.948 134.035 1 T 7.092e+06 0.00e+00 a 0 - - - 95 7.278 4.982 134.078 1 T 2.332e+06 0.00e+00 a 0 - - - 96 7.284 2.968 134.133 1 T 8.876e+05 0.00e+00 a 0 - - - 97 7.279 2.835 133.997 1 T 1.989e+06 0.00e+00 a 0 - - - 98 7.276 3.275 134.050 1 T 1.957e+06 0.00e+00 a 0 - - - 99 7.273 1.615 134.038 1 T 1.013e+06 0.00e+00 a 0 - - - 101 7.275 1.306 133.927 1 T 7.487e+05 0.00e+00 a 0 - - - 102 7.278 1.098 134.006 1 T 7.035e+05 0.00e+00 a 0 - - - 103 7.278 0.901 134.000 1 T 2.499e+06 0.00e+00 a 0 - - - 104 7.271 0.424 134.030 1 T 6.301e+05 0.00e+00 a 0 - - - 105 6.983 3.925 119.432 1 T 1.148e+06 0.00e+00 a 0 - - - 106 6.984 3.186 119.404 1 T 2.339e+06 0.00e+00 a 0 - - - 107 6.987 1.531 119.315 1 T 1.043e+06 0.00e+00 a 0 - - - 108 6.984 0.295 119.438 1 T 9.902e+05 0.00e+00 a 0 - - - 109 7.819 6.939 138.690 1 T 5.447e+05 0.00e+00 a 0 - - - 110 7.821 4.435 138.630 1 T 4.975e+05 0.00e+00 a 0 - - - 111 7.820 4.087 138.718 1 T 4.355e+05 0.00e+00 a 0 - - - 112 7.822 3.296 138.710 1 T 4.341e+05 0.00e+00 a 0 - - - 113 7.818 2.910 138.745 1 T 1.021e+06 0.00e+00 a 0 - - - 114 7.823 2.070 138.685 1 T 8.358e+05 0.00e+00 a 0 - - - 115 7.822 1.893 138.757 1 T 4.898e+05 0.00e+00 a 0 - - - 116 7.822 2.247 138.691 1 T 1.046e+06 0.00e+00 a 0 - - - 117 7.818 1.696 138.695 1 T 7.893e+05 0.00e+00 a 0 - - - 118 7.823 1.660 138.707 1 T 8.772e+05 0.00e+00 a 0 - - - 119 7.822 0.825 138.726 1 T 1.234e+06 0.00e+00 a 0 - - - 120 7.234 4.138 131.147 1 T 7.186e+05 0.00e+00 a 0 - - - 121 7.243 4.070 131.323 1 T 7.154e+05 0.00e+00 a 0 - - - 123 7.243 3.426 131.181 1 T 1.024e+06 0.00e+00 a 0 - - - 124 6.813 4.737 130.511 1 T 8.450e+05 0.00e+00 a 0 - - - 125 6.803 3.351 130.461 1 T 7.867e+05 0.00e+00 a 0 - - - 127 6.800 3.812 130.414 1 T 5.517e+05 0.00e+00 a 0 - - - 128 6.805 1.597 130.450 1 T 5.010e+05 0.00e+00 a 0 - - - 129 7.052 4.252 132.330 1 T 1.715e+06 0.00e+00 a 0 - - - 130 7.059 3.646 132.389 1 T 7.163e+05 0.00e+00 a 0 - - - 131 7.055 3.414 132.202 1 T 1.431e+06 0.00e+00 a 0 - - - 132 7.057 3.115 132.214 1 T 1.801e+06 0.00e+00 a 0 - - - 133 7.052 1.722 132.204 1 T 1.206e+06 0.00e+00 a 0 - - - 134 7.051 0.766 132.307 1 T 1.795e+06 0.00e+00 a 0 - - - 135 7.052 0.417 132.223 1 T 9.476e+05 0.00e+00 a 0 - - - 136 7.051 -0.252 132.382 1 T 5.932e+05 0.00e+00 a 0 - - - 137 7.130 3.908 131.579 1 T 8.203e+05 0.00e+00 a 0 - - - 138 7.164 3.952 131.660 1 T 4.015e+05 0.00e+00 a 0 - - - 139 7.127 2.643 131.761 1 T 9.035e+05 0.00e+00 a 0 - - - 140 7.134 -0.228 131.343 1 T 1.050e+06 0.00e+00 a 0 - - - 141 6.943 4.322 126.527 1 T 1.065e+06 0.00e+00 a 0 - - - 142 6.944 3.349 126.531 1 T 2.128e+06 0.00e+00 a 0 - - - 143 6.945 3.696 126.433 1 T 9.712e+05 0.00e+00 a 0 - - - 145 6.944 3.830 126.560 1 T 8.370e+05 0.00e+00 a 0 - - - 147 6.940 0.807 126.595 1 T 1.226e+06 0.00e+00 a 0 - - - 148 6.947 -0.080 126.595 1 T 8.164e+05 0.00e+00 a 0 - - - 151 7.022 6.717 120.739 1 T 1.071e+06 0.00e+00 a 0 - - - 152 7.016 7.370 124.758 1 T 2.533e+06 0.00e+00 a 0 - - - 153 7.015 6.697 124.690 1 T 1.921e+06 0.00e+00 a 0 - - - 154 7.007 3.903 124.792 1 T 7.431e+05 0.00e+00 a 0 - - - 155 7.015 2.169 124.726 1 T 1.385e+06 0.00e+00 a 0 - - - 156 7.010 0.904 124.737 1 T 1.420e+06 0.00e+00 a 0 - - - 157 7.013 1.077 124.721 1 T 6.080e+05 0.00e+00 a 0 - - - 159 7.005 0.695 124.962 1 T 7.615e+05 0.00e+00 a 0 - - - 160 7.375 6.702 114.262 1 T 7.715e+05 0.00e+00 a 0 - - - 161 7.373 7.015 114.272 1 T 3.427e+06 0.00e+00 a 0 - - - 162 7.381 4.115 114.390 1 T 6.214e+05 0.00e+00 a 0 - - - 163 7.377 3.882 114.205 1 T 5.834e+05 0.00e+00 a 0 - - - 164 7.372 3.632 114.314 1 T 5.153e+05 0.00e+00 a 0 - - - 165 7.375 2.091 114.269 1 T 1.405e+06 0.00e+00 a 0 - - - 167 7.372 1.860 114.304 1 T 7.181e+05 0.00e+00 a 0 - - - 168 7.371 0.712 114.258 1 T 7.239e+05 0.00e+00 a 0 - - - 169 7.371 0.898 114.143 1 T 1.979e+06 0.00e+00 a 0 - - - 170 7.361 1.100 114.150 1 T 5.800e+05 0.00e+00 a 0 - - - 171 7.374 -0.077 114.358 1 T 7.045e+05 0.00e+00 a 0 - - - 172 6.700 7.011 121.971 1 T 2.101e+06 0.00e+00 a 0 - - - 173 6.701 7.372 122.014 1 T 6.777e+05 0.00e+00 a 0 - - - 174 6.704 1.051 122.135 1 T 7.995e+05 0.00e+00 a 0 - - - 175 6.693 0.676 122.020 1 T 7.268e+05 0.00e+00 a 0 - - - 176 6.705 0.931 121.910 1 T 8.542e+05 0.00e+00 a 0 - - - 177 7.018 3.638 124.427 1 T 7.839e+05 0.00e+00 a 0 - - - 178 7.022 3.187 124.133 1 T 9.652e+05 0.00e+00 a 0 - - - 179 7.545 7.311 121.766 1 T 8.128e+05 0.00e+00 a 0 - - - 180 6.829 7.304 123.103 1 T 1.444e+06 0.00e+00 a 0 - - - 181 6.826 0.799 123.185 1 T 1.115e+06 0.00e+00 a 0 - - - 182 7.309 6.838 113.820 1 T 1.437e+06 0.00e+00 a 0 - - - 183 7.297 2.230 113.923 1 T 6.855e+05 0.00e+00 a 0 - - - 184 7.297 1.326 113.960 1 T 5.945e+05 0.00e+00 a 0 - - - 185 7.302 0.838 113.795 1 T 1.197e+06 0.00e+00 a 0 - - - 186 7.320 -0.083 113.961 1 T 6.861e+05 0.00e+00 a 0 - - - 187 7.321 7.135 132.355 1 T 7.731e+06 0.00e+00 a 0 - - - 188 7.319 4.419 132.367 1 T 2.251e+06 0.00e+00 a 0 - - - 189 7.321 3.382 132.378 1 T 2.060e+06 0.00e+00 a 0 - - - 190 7.319 3.129 132.365 1 T 2.191e+06 0.00e+00 a 0 - - - 191 7.318 2.845 132.331 1 T 5.926e+05 0.00e+00 a 0 - - - 193 7.316 2.559 132.489 1 T 7.098e+05 0.00e+00 a 0 - - - 194 7.323 2.129 132.422 1 T 8.309e+05 0.00e+00 a 0 - - - 195 7.323 1.677 132.331 1 T 1.085e+06 0.00e+00 a 0 - - - 196 7.320 0.918 132.344 1 T 1.232e+06 0.00e+00 a 0 - - - 197 7.322 0.404 132.352 1 T 1.988e+06 0.00e+00 a 0 - - - 199 7.131 7.311 131.348 1 T 5.505e+06 0.00e+00 a 0 - - - 200 7.137 5.120 131.562 1 T 9.039e+05 0.00e+00 a 0 - - - 201 7.138 4.195 131.250 1 T 8.930e+05 0.00e+00 a 0 - - - 202 7.126 3.975 131.291 1 T 8.436e+05 0.00e+00 a 0 - - - 203 7.130 3.118 131.325 1 T 1.564e+06 0.00e+00 a 0 - - - 204 7.140 2.447 131.322 1 T 8.395e+05 0.00e+00 a 0 - - - 206 7.132 1.660 131.301 1 T 1.360e+06 0.00e+00 a 0 - - - 207 7.129 0.884 131.315 1 T 1.412e+06 0.00e+00 a 0 - - - 208 7.131 0.425 131.301 1 T 1.605e+06 0.00e+00 a 0 - - - 209 7.111 -0.238 131.271 1 T 9.503e+05 0.00e+00 a 0 - - - 210 6.946 7.276 118.236 1 T 9.582e+06 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 . . 18.023 ppm . . . 4.84 . . 34526 2 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 2 3 . . C 13 C-aromatic . . 30.009 ppm . . . 127.0 . . 34526 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34526 _Spectral_peak_list.ID 3 _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 12 _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 HN #INAME 2 H #INAME 3 N #SPECTRUM N15NOESY HN H N 66 7.939 4.859 122.018 1 T 2.559e+06 0.00e+00 a 0 - - - 67 7.940 8.426 122.016 1 T 9.212e+05 0.00e+00 a 0 - - - 68 7.962 8.654 122.192 1 T 1.260e+06 0.00e+00 a 0 - - - 69 7.962 8.188 122.200 1 T 3.982e+06 0.00e+00 a 0 - - - 70 7.941 4.079 122.050 1 T 3.775e+06 0.00e+00 a 0 - - - 71 7.938 3.965 122.044 1 T 2.529e+06 0.00e+00 a 0 - - - 72 7.940 2.080 122.041 1 T 5.825e+06 0.00e+00 a 0 - - - 73 7.943 2.270 122.079 1 T 3.234e+06 0.00e+00 a 0 - - - 74 7.962 1.570 122.206 1 T 1.430e+07 0.00e+00 a 0 - - - 75 7.962 1.245 122.157 1 T 1.720e+06 0.00e+00 a 0 - - - 76 7.962 1.093 122.206 1 T 1.526e+06 0.00e+00 a 0 - - - 77 7.962 0.803 122.184 1 T 1.356e+06 0.00e+00 a 0 - - - 78 7.958 0.565 122.206 1 T 7.208e+05 0.00e+00 a 0 - - - 79 8.453 0.880 118.842 1 T 2.926e+06 0.00e+00 a 0 - - - 80 8.452 0.728 118.943 1 T 4.268e+06 0.00e+00 a 0 - - - 81 8.434 2.855 118.828 1 T 8.320e+05 0.00e+00 a 0 - - - 82 8.452 2.993 119.053 1 T 9.750e+05 0.00e+00 a 0 - - - 83 8.427 2.978 118.995 1 T 1.102e+06 0.00e+00 a 0 - - - 84 8.447 3.311 118.940 1 T 1.280e+06 0.00e+00 a 0 - - - 85 8.437 4.594 118.758 1 T 1.075e+06 0.00e+00 a 0 - - - 86 8.454 3.885 118.809 1 T 2.802e+06 0.00e+00 a 0 - - - 87 6.932 4.861 112.064 1 T 8.483e+06 0.00e+00 a 0 - - - 88 6.930 4.614 111.923 1 T 1.157e+06 0.00e+00 a 0 - - - 89 6.931 4.457 111.988 1 T 1.141e+06 0.00e+00 a 0 - - - 90 6.940 4.279 112.066 1 T 1.310e+06 0.00e+00 a 0 - - - 91 6.933 4.130 112.022 1 T 9.157e+05 0.00e+00 a 0 - - - 92 6.941 3.906 112.128 1 T 9.860e+05 0.00e+00 a 0 - - - 93 6.977 2.885 111.812 1 T 3.105e+06 0.00e+00 a 0 - - - 94 6.934 2.865 111.852 1 T 2.635e+06 0.00e+00 a 0 - - - 95 6.936 2.477 112.164 1 T 4.981e+06 0.00e+00 a 0 - - - 96 6.938 2.194 112.105 1 T 2.117e+06 0.00e+00 a 0 - - - 97 6.941 2.116 112.029 1 T 2.243e+06 0.00e+00 a 0 - - - 98 6.943 1.844 111.977 1 T 9.394e+05 0.00e+00 a 0 - - - 99 6.939 1.702 112.008 1 T 8.060e+05 0.00e+00 a 0 - - - 100 6.939 1.547 112.223 1 T 6.812e+05 0.00e+00 a 0 - - - 101 6.932 1.454 112.144 1 T 6.954e+05 0.00e+00 a 0 - - - 102 6.944 0.903 112.073 1 T 1.566e+06 0.00e+00 a 0 - - - 103 7.713 1.725 111.861 1 T 8.383e+05 0.00e+00 a 0 - - - 104 7.675 1.254 111.748 1 T 3.301e+06 0.00e+00 a 0 - - - 105 7.706 2.488 111.820 1 T 3.979e+06 0.00e+00 a 0 - - - 107 7.707 2.200 111.836 1 T 1.995e+06 0.00e+00 a 0 - - - 108 7.709 2.077 111.793 1 T 1.677e+06 0.00e+00 a 0 - - - 109 7.711 2.950 111.785 1 T 3.085e+06 0.00e+00 a 0 - - - 110 7.710 4.458 111.710 1 T 9.971e+05 0.00e+00 a 0 - - - 111 7.713 4.608 111.854 1 T 1.132e+06 0.00e+00 a 0 - - - 112 7.709 4.862 111.814 1 T 5.541e+06 0.00e+00 a 0 - - - 113 7.707 6.635 111.905 1 T 1.170e+06 0.00e+00 a 0 - - - 114 7.706 6.880 111.855 1 T 7.550e+07 0.00e+00 a 0 - - - 116 8.189 7.771 120.621 1 T 3.142e+06 0.00e+00 a 0 - - - 117 8.186 4.105 120.544 1 T 3.960e+06 0.00e+00 a 0 - - - 118 8.189 2.954 120.628 1 T 2.007e+06 0.00e+00 a 0 - - - 119 8.189 2.881 120.624 1 T 1.793e+06 0.00e+00 a 0 - - - 120 8.190 1.758 120.617 1 T 7.911e+06 0.00e+00 a 0 - - - 121 7.777 0.985 118.115 1 T 1.715e+06 0.00e+00 a 0 - - - 122 7.774 0.779 118.062 1 T 9.705e+05 0.00e+00 a 0 - - - 123 7.777 1.893 118.136 1 T 1.107e+07 0.00e+00 a 0 - - - 124 7.777 1.762 118.133 1 T 5.309e+06 0.00e+00 a 0 - - - 125 7.777 1.503 118.144 1 T 2.305e+06 0.00e+00 a 0 - - - 126 7.771 2.971 118.166 1 T 8.047e+05 0.00e+00 a 0 - - - 127 7.778 3.257 118.069 1 T 9.564e+05 0.00e+00 a 0 - - - 128 7.818 4.863 118.147 1 T 1.888e+06 0.00e+00 a 0 - - - 129 7.785 4.861 118.157 1 T 1.440e+06 0.00e+00 a 0 - - - 130 7.779 4.597 118.068 1 T 5.283e+05 0.00e+00 a 0 - - - 131 7.815 4.400 118.137 1 T 2.712e+06 0.00e+00 a 0 - - - 132 7.817 4.173 118.113 1 T 2.478e+06 0.00e+00 a 0 - - - 133 7.776 3.995 118.133 1 T 4.226e+06 0.00e+00 a 0 - - - 134 7.777 8.174 118.119 1 T 3.937e+06 0.00e+00 a 0 - - - 135 7.777 7.951 118.158 1 T 1.447e+06 0.00e+00 a 0 - - - 136 8.110 4.442 118.818 1 T 1.789e+06 0.00e+00 a 0 - - - 137 8.110 3.264 118.807 1 T 2.538e+06 0.00e+00 a 0 - - - 138 8.059 2.131 118.978 1 T 7.585e+06 0.00e+00 a 0 - - - 139 7.981 1.056 120.259 1 T 2.962e+06 0.00e+00 a 0 - - - 141 7.980 0.881 120.264 1 T 3.054e+06 0.00e+00 a 0 - 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- - 1588 7.610 2.488 112.185 1 T 5.952e+06 0.00e+00 a 0 - - - 1589 7.611 2.181 112.151 1 T 2.236e+06 0.00e+00 a 0 - - - 1590 7.613 1.805 112.157 1 T 9.391e+05 0.00e+00 a 0 - - - 1591 7.610 1.466 112.193 1 T 6.166e+05 0.00e+00 a 0 - - - 1592 7.802 2.942 120.926 1 T 1.066e+06 0.00e+00 a 0 - - - 1593 8.861 1.576 118.224 1 T 2.016e+06 0.00e+00 a 0 - - - 1594 8.822 0.896 118.051 1 T 4.441e+05 0.00e+00 a 0 - - - 1595 8.860 0.818 118.306 1 T 7.820e+05 0.00e+00 a 0 - - - 1596 8.812 0.827 118.086 1 T 4.252e+05 0.00e+00 a 0 - - - 1597 8.866 0.984 118.275 1 T 8.249e+05 0.00e+00 a 0 - - - 1598 8.859 2.681 118.237 1 T 1.887e+06 0.00e+00 a 0 - - - 1599 8.862 2.961 118.254 1 T 2.505e+06 0.00e+00 a 0 - - - 1600 8.863 2.198 118.235 1 T 2.582e+06 0.00e+00 a 0 - - - 1601 8.861 1.974 118.166 1 T 1.867e+06 0.00e+00 a 0 - - - 1602 8.862 3.867 118.221 1 T 1.450e+06 0.00e+00 a 0 - - - 1603 8.863 4.274 118.270 1 T 1.644e+06 0.00e+00 a 0 - - - 1605 8.861 4.522 118.221 1 T 2.178e+06 0.00e+00 a 0 - - - 1606 8.861 4.867 118.099 1 T 7.063e+05 0.00e+00 a 0 - - - 1607 8.862 5.945 118.263 1 T 8.196e+05 0.00e+00 a 0 - - - 1608 8.863 7.931 118.221 1 T 1.246e+06 0.00e+00 a 0 - - - 1609 8.862 7.806 118.249 1 T 2.242e+06 0.00e+00 a 0 - - - 1610 8.863 7.572 118.258 1 T 3.478e+06 0.00e+00 a 0 - - - 1611 8.870 8.474 118.365 1 T 8.242e+05 0.00e+00 a 0 - - - 1613 7.577 8.857 117.013 1 T 2.499e+06 0.00e+00 a 0 - - - 1614 7.580 9.193 117.052 1 T 5.020e+05 0.00e+00 a 0 - - - 1615 7.577 7.914 116.984 1 T 7.188e+05 0.00e+00 a 0 - - - 1616 7.577 7.841 117.024 1 T 7.114e+05 0.00e+00 a 0 - - - 1617 7.583 4.512 117.049 1 T 7.844e+05 0.00e+00 a 0 - - - 1618 7.576 4.276 116.978 1 T 1.278e+06 0.00e+00 a 0 - - - 1619 7.578 4.137 116.988 1 T 1.653e+06 0.00e+00 a 0 - - - 1620 7.578 3.928 117.081 1 T 3.591e+06 0.00e+00 a 0 - - - 1621 7.575 2.952 117.046 1 T 2.165e+06 0.00e+00 a 0 - - - 1623 7.578 2.667 117.024 1 T 1.817e+06 0.00e+00 a 0 - - - 1624 7.578 2.527 117.070 1 T 2.966e+06 0.00e+00 a 0 - - - 1625 7.577 2.217 117.023 1 T 9.290e+06 0.00e+00 a 0 - - - 1626 7.583 1.556 117.038 1 T 1.079e+06 0.00e+00 a 0 - - - 1627 7.573 1.435 117.100 1 T 8.232e+05 0.00e+00 a 0 - - - 1628 7.580 0.827 117.073 1 T 1.382e+06 0.00e+00 a 0 - - - 1629 7.575 0.994 117.196 1 T 5.933e+05 0.00e+00 a 0 - - - 1630 7.593 0.829 119.404 1 T 7.872e+05 0.00e+00 a 0 - - - 1631 7.594 1.455 119.563 1 T 6.936e+05 0.00e+00 a 0 - - - 1632 7.591 1.708 119.518 1 T 6.749e+05 0.00e+00 a 0 - - - 1633 7.585 1.967 119.521 1 T 8.015e+05 0.00e+00 a 0 - - - 1634 7.593 2.216 119.563 1 T 1.098e+07 0.00e+00 a 0 - - - 1635 7.592 2.531 119.545 1 T 4.126e+06 0.00e+00 a 0 - - - 1636 7.589 2.913 119.562 1 T 8.926e+05 0.00e+00 a 0 - - - 1637 7.584 2.766 119.544 1 T 6.883e+05 0.00e+00 a 0 - - - 1639 7.593 3.903 119.546 1 T 1.837e+06 0.00e+00 a 0 - - - 1640 7.593 4.154 119.535 1 T 4.138e+06 0.00e+00 a 0 - - - 1641 7.593 7.919 119.520 1 T 1.157e+06 0.00e+00 a 0 - - - 1642 7.593 9.188 119.552 1 T 3.223e+06 0.00e+00 a 0 - - - 1643 7.590 8.833 119.673 1 T 1.143e+06 0.00e+00 a 0 - - - 1644 9.184 9.974 121.657 1 T 5.852e+05 0.00e+00 a 0 - - - 1646 9.191 8.790 121.686 1 T 3.050e+06 0.00e+00 a 0 - - - 1647 9.189 7.909 121.729 1 T 1.365e+06 0.00e+00 a 0 - - - 1648 9.192 7.591 121.655 1 T 4.472e+06 0.00e+00 a 0 - - - 1649 9.192 4.059 121.688 1 T 3.495e+06 0.00e+00 a 0 - - - 1650 9.194 3.909 121.598 1 T 1.274e+06 0.00e+00 a 0 - - - 1651 9.190 4.272 121.586 1 T 6.903e+05 0.00e+00 a 0 - - - 1652 9.192 4.504 121.614 1 T 1.253e+06 0.00e+00 a 0 - - - 1653 9.194 4.865 121.652 1 T 8.691e+05 0.00e+00 a 0 - - - 1654 9.190 2.535 121.637 1 T 1.906e+06 0.00e+00 a 0 - - - 1655 9.190 2.865 121.705 1 T 2.803e+06 0.00e+00 a 0 - - - 1656 9.191 2.203 121.663 1 T 7.393e+06 0.00e+00 a 0 - - - 1657 9.195 1.680 121.663 1 T 8.177e+05 0.00e+00 a 0 - - - 1658 9.191 1.441 121.656 1 T 1.390e+06 0.00e+00 a 0 - - - 1659 8.791 1.439 121.025 1 T 6.538e+06 0.00e+00 a 0 - - - 1660 8.791 2.193 121.020 1 T 2.684e+06 0.00e+00 a 0 - - - 1661 8.794 2.406 121.081 1 T 1.066e+06 0.00e+00 a 0 - - - 1662 8.790 2.876 121.048 1 T 2.880e+06 0.00e+00 a 0 - - - 1663 8.790 4.304 121.039 1 T 2.655e+06 0.00e+00 a 0 - - - 1664 8.790 4.054 121.057 1 T 1.827e+06 0.00e+00 a 0 - - - 1665 8.790 3.944 120.940 1 T 1.431e+06 0.00e+00 a 0 - - - 1666 8.796 4.867 121.048 1 T 8.078e+05 0.00e+00 a 0 - - - 1667 8.792 4.490 120.968 1 T 1.346e+06 0.00e+00 a 0 - - - 1668 8.790 7.926 121.016 1 T 3.573e+06 0.00e+00 a 0 - - - 1669 8.790 7.581 120.999 1 T 1.096e+06 0.00e+00 a 0 - - - 1670 8.799 7.160 120.798 1 T 5.233e+05 0.00e+00 a 0 - - - 1671 8.790 9.187 121.020 1 T 2.637e+06 0.00e+00 a 0 - - - 1672 8.928 9.330 121.225 1 T 6.712e+05 0.00e+00 a 0 - - - 1673 8.929 8.556 121.149 1 T 2.850e+06 0.00e+00 a 0 - - - 1674 8.928 7.918 121.179 1 T 3.646e+06 0.00e+00 a 0 - - - 1675 8.932 7.732 121.197 1 T 9.364e+05 0.00e+00 a 0 - - - 1676 8.927 7.172 121.207 1 T 8.358e+05 0.00e+00 a 0 - - - 1677 8.933 4.841 121.177 1 T 6.061e+05 0.00e+00 a 0 - - - 1678 8.930 4.697 121.153 1 T 2.835e+06 0.00e+00 a 0 - - - 1679 8.928 4.310 121.164 1 T 1.645e+06 0.00e+00 a 0 - - - 1680 8.930 4.066 121.154 1 T 2.370e+06 0.00e+00 a 0 - - - 1681 8.926 3.758 121.126 1 T 8.042e+05 0.00e+00 a 0 - - - 1682 8.930 3.169 121.185 1 T 6.236e+05 0.00e+00 a 0 - - - 1683 8.929 2.874 121.160 1 T 4.871e+06 0.00e+00 a 0 - - - 1684 8.928 2.542 121.222 1 T 9.256e+05 0.00e+00 a 0 - - - 1686 8.929 2.245 121.151 1 T 3.235e+06 0.00e+00 a 0 - - - 1688 8.929 2.088 121.148 1 T 3.386e+06 0.00e+00 a 0 - - - 1689 8.930 1.712 121.177 1 T 1.670e+06 0.00e+00 a 0 - - - 1690 8.931 1.489 121.075 1 T 1.318e+06 0.00e+00 a 0 - - - 1691 8.557 1.449 121.310 1 T 1.367e+06 0.00e+00 a 0 - - - 1692 8.557 2.090 121.385 1 T 8.002e+06 0.00e+00 a 0 - - - 1693 8.558 2.874 121.383 1 T 2.553e+06 0.00e+00 a 0 - - - 1694 8.557 3.195 121.348 1 T 1.378e+06 0.00e+00 a 0 - - - 1695 8.552 4.462 121.522 1 T 1.655e+06 0.00e+00 a 0 - - - 1696 8.556 4.700 121.440 1 T 1.160e+06 0.00e+00 a 0 - - - 1697 8.554 7.189 121.415 1 T 6.021e+05 0.00e+00 a 0 - - - 1698 8.558 7.054 121.308 1 T 6.068e+05 0.00e+00 a 0 - - - 1699 8.560 7.911 121.400 1 T 1.739e+06 0.00e+00 a 0 - - - 1700 8.559 7.720 121.413 1 T 2.739e+06 0.00e+00 a 0 - - - 1701 8.559 8.931 121.443 1 T 2.443e+06 0.00e+00 a 0 - - - 1702 7.720 8.553 119.324 1 T 1.771e+06 0.00e+00 a 0 - - - 1703 7.721 7.903 119.370 1 T 2.400e+06 0.00e+00 a 0 - - - 1704 7.718 4.141 119.379 1 T 3.196e+06 0.00e+00 a 0 - - - 1705 7.724 3.270 119.235 1 T 1.073e+06 0.00e+00 a 0 - - - 1706 7.717 1.986 119.340 1 T 5.188e+06 0.00e+00 a 0 - - - 1707 7.718 1.707 119.384 1 T 2.503e+06 0.00e+00 a 0 - - - 1708 7.896 8.306 120.347 1 T 1.805e+06 0.00e+00 a 0 - - - 1709 8.315 2.634 120.081 1 T 9.757e+05 0.00e+00 a 0 - - - 1710 8.313 4.869 120.162 1 T 9.713e+05 0.00e+00 a 0 - - - 1711 8.036 4.163 118.644 1 T 4.273e+06 0.00e+00 a 0 - - - 1712 8.038 3.154 118.630 1 T 1.482e+06 0.00e+00 a 0 - - - 1713 6.982 1.803 112.066 1 T 8.792e+05 0.00e+00 a 0 - - - 1714 6.987 2.542 112.067 1 T 1.774e+06 0.00e+00 a 0 - - - 1715 6.987 4.860 112.012 1 T 6.376e+06 0.00e+00 a 0 - - - 1716 7.816 2.156 118.137 1 T 4.636e+06 0.00e+00 a 0 - - - 1717 7.816 2.683 118.123 1 T 1.776e+06 0.00e+00 a 0 - - - 1718 7.750 1.678 121.247 1 T 8.402e+06 0.00e+00 a 0 - - - 1719 7.757 2.698 121.068 1 T 9.771e+05 0.00e+00 a 0 - - - 1720 7.747 4.329 121.171 1 T 4.996e+06 0.00e+00 a 0 - - - 1721 7.747 4.859 121.202 1 T 3.194e+06 0.00e+00 a 0 - - - 1722 8.189 7.743 121.872 1 T 1.206e+06 0.00e+00 a 0 - - - 1723 8.191 4.861 121.957 1 T 3.620e+06 0.00e+00 a 0 - - - 1724 8.191 4.299 121.957 1 T 7.680e+06 0.00e+00 a 0 - - - 1725 8.190 1.799 121.965 1 T 4.172e+06 0.00e+00 a 0 - - - 1726 8.191 1.633 121.970 1 T 3.395e+06 0.00e+00 a 0 - - - 1727 8.189 0.917 121.985 1 T 1.644e+06 0.00e+00 a 0 - - - 1728 8.056 4.861 127.025 1 T 1.822e+06 0.00e+00 a 0 - - - 1729 8.055 4.397 127.000 1 T 1.514e+07 0.00e+00 a 0 - - - 1730 8.055 4.271 126.976 1 T 1.231e+06 0.00e+00 a 0 - - - 1731 8.056 3.214 127.091 1 T 7.394e+05 0.00e+00 a 0 - - - 1732 8.055 2.616 127.004 1 T 5.721e+06 0.00e+00 a 0 - - - 1733 8.055 1.910 126.995 1 T 2.241e+06 0.00e+00 a 0 - - - 1734 8.055 1.774 126.991 1 T 2.970e+06 0.00e+00 a 0 - - - 1735 8.055 1.639 126.980 1 T 2.314e+06 0.00e+00 a 0 - - - 1736 10.033 -0.054 127.771 1 T 1.589e+06 0.00e+00 a 0 - - - 1737 10.035 0.859 127.856 1 T 2.459e+06 0.00e+00 a 0 - - - 1738 10.037 1.609 127.876 1 T 8.502e+05 0.00e+00 a 0 - - - 1739 10.039 1.408 127.896 1 T 8.914e+05 0.00e+00 a 0 - - - 1740 10.038 2.227 127.849 1 T 2.169e+06 0.00e+00 a 0 - - - 1741 10.037 2.012 127.859 1 T 2.008e+06 0.00e+00 a 0 - - - 1742 10.039 1.853 127.818 1 T 1.872e+06 0.00e+00 a 0 - - - 1743 10.036 2.648 127.783 1 T 8.864e+05 0.00e+00 a 0 - - - 1744 10.039 3.211 127.879 1 T 7.705e+05 0.00e+00 a 0 - - - 1745 10.037 3.029 127.864 1 T 1.708e+06 0.00e+00 a 0 - - - 1746 10.039 3.443 127.737 1 T 8.408e+05 0.00e+00 a 0 - - - 1748 10.036 3.332 127.812 1 T 7.753e+05 0.00e+00 a 0 - - - 1749 10.036 3.653 127.842 1 T 1.437e+06 0.00e+00 a 0 - - - 1750 10.037 3.895 127.831 1 T 2.080e+06 0.00e+00 a 0 - - - 1751 10.039 4.194 127.828 1 T 1.267e+06 0.00e+00 a 0 - - - 1752 10.038 4.557 127.922 1 T 1.513e+06 0.00e+00 a 0 - - - 1753 10.040 4.857 127.850 1 T 1.360e+06 0.00e+00 a 0 - - - 1754 10.041 6.124 127.966 1 T 1.003e+06 0.00e+00 a 0 - - - 1755 10.040 6.678 127.783 1 T 9.642e+05 0.00e+00 a 0 - - - 1756 10.038 7.006 127.865 1 T 1.060e+07 0.00e+00 a 0 - - - 1757 10.038 7.344 127.829 1 T 6.142e+06 0.00e+00 a 0 - - - 1758 10.039 7.816 127.858 1 T 6.578e+05 0.00e+00 a 0 - - - 1759 10.044 8.107 127.924 1 T 4.078e+05 0.00e+00 a 0 - - - 1760 10.038 8.521 127.925 1 T 1.244e+06 0.00e+00 a 0 - - - 1763 7.008 7.577 113.528 1 T 4.963e+07 0.00e+00 a 0 - - - 1764 7.011 4.857 113.513 1 T 1.726e+06 0.00e+00 a 0 - - - 1765 7.007 4.325 113.488 1 T 4.593e+05 0.00e+00 a 0 - - - 1766 7.008 3.941 113.523 1 T 7.762e+05 0.00e+00 a 0 - - - 1767 7.008 2.538 113.504 1 T 3.126e+06 0.00e+00 a 0 - - - 1768 7.008 2.211 113.439 1 T 1.092e+06 0.00e+00 a 0 - - - 1769 7.008 1.451 113.549 1 T 1.312e+06 0.00e+00 a 0 - - - 1770 7.010 0.816 113.503 1 T 9.423e+05 0.00e+00 a 0 - - - 1771 7.578 2.216 113.540 1 T 1.423e+06 0.00e+00 a 0 - - - 1772 7.578 2.539 113.510 1 T 5.249e+06 0.00e+00 a 0 - - - 1773 7.520 2.483 113.786 1 T 4.898e+05 0.00e+00 a 0 - - - 1774 7.576 0.831 113.503 1 T 9.034e+05 0.00e+00 a 0 - - - 1775 7.578 3.935 113.441 1 T 1.363e+06 0.00e+00 a 0 - - - 1776 7.578 7.006 113.530 1 T 4.604e+07 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 HN . . 18.023 ppm . . . 4.864 . . 34526 3 2 . . H 1 H . . 11.992 ppm . . . 4.864 . . 34526 3 3 . . N 15 N . . 29.502 ppm . . . 117.65 . . 34526 3 stop_ save_