######################### # 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 34918 _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 '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 #INAME 1 H #INAME 2 C #INAME 3 h #SPECTRUM C13NOESY HC H C 1 7.513 10.422 114.817 1 T -7.164e+07 0.00e+00 a 0 0 0 0 0 3 7.514 7.514 114.806 1 T -5.391e+08 0.00e+00 a 0 0 0 0 0 4 7.513 7.258 114.807 1 T -1.542e+08 0.00e+00 a 0 0 0 0 0 5 7.513 7.165 114.798 1 T -3.876e+07 0.00e+00 a 0 0 0 0 0 8 6.825 6.825 117.452 1 T 8.837e+08 0.00e+00 a 0 0 0 0 0 9 6.802 6.802 118.334 1 T -4.277e+09 0.00e+00 a 0 0 0 0 0 10 6.802 7.132 118.339 1 T -7.249e+08 0.00e+00 a 0 0 0 0 0 11 6.801 4.664 118.338 1 T -1.861e+08 0.00e+00 a 0 0 0 0 0 12 6.799 4.281 118.386 1 T -3.311e+07 0.00e+00 a 0 0 0 0 0 13 6.801 3.898 118.364 1 T -4.486e+07 0.00e+00 a 0 0 0 0 0 14 6.801 2.960 118.328 1 T -3.977e+07 0.00e+00 a 0 0 0 0 0 15 6.804 2.548 118.332 1 T -9.620e+07 0.00e+00 a 0 0 0 0 0 16 6.802 1.400 118.357 1 T -3.395e+07 0.00e+00 a 0 0 0 0 0 17 6.802 0.914 118.310 1 T -3.737e+07 0.00e+00 a 0 0 0 0 0 18 6.802 1.670 118.320 1 T -2.877e+07 0.00e+00 a 0 0 0 0 0 19 6.804 2.224 118.382 1 T -2.542e+07 0.00e+00 a 0 0 0 0 0 20 6.798 3.223 118.295 1 T -2.439e+07 0.00e+00 a 0 0 0 0 0 21 6.802 3.074 118.416 1 T -3.123e+07 0.00e+00 a 0 0 0 0 0 22 6.959 6.830 119.243 1 T 2.798e+07 0.00e+00 a 0 0 0 0 0 23 6.960 6.961 119.231 1 T 1.411e+09 0.00e+00 a 0 0 0 0 0 24 7.288 7.288 119.495 1 T 1.637e+09 0.00e+00 a 0 0 0 0 0 25 7.288 7.588 119.484 1 T 2.899e+07 0.00e+00 a 0 0 0 0 0 26 7.289 4.881 119.486 1 T 7.435e+07 0.00e+00 a 0 0 0 0 0 27 7.290 4.672 119.489 1 T 8.288e+07 0.00e+00 a 0 0 0 0 0 28 7.289 4.220 119.544 1 T 1.654e+07 0.00e+00 a 0 0 0 0 0 29 7.289 3.603 119.521 1 T 2.524e+07 0.00e+00 a 0 0 0 0 0 30 7.289 3.165 119.545 1 T 2.056e+07 0.00e+00 a 0 0 0 0 0 31 7.289 2.054 119.508 1 T 4.115e+07 0.00e+00 a 0 0 0 0 0 32 7.288 0.816 119.507 1 T 5.272e+07 0.00e+00 a 0 0 0 0 0 33 7.083 7.216 119.949 1 T 2.102e+08 0.00e+00 a 0 0 0 0 0 34 7.038 7.168 119.816 1 T 5.753e+08 0.00e+00 a 0 0 0 0 0 35 7.083 7.084 119.916 1 T 1.259e+10 0.00e+00 a 0 0 0 0 0 36 7.038 7.038 119.818 1 T 3.219e+10 0.00e+00 a 0 0 0 0 0 37 6.991 6.992 119.690 1 T 1.323e+09 0.00e+00 a 0 0 0 0 0 38 7.083 6.955 119.940 1 T 2.265e+08 0.00e+00 a 0 0 0 0 0 39 7.038 6.909 119.803 1 T 6.020e+08 0.00e+00 a 0 0 0 0 0 40 7.182 7.184 119.846 1 T 1.163e+09 0.00e+00 a 0 0 0 0 0 41 7.111 7.112 119.810 1 T 5.200e+09 0.00e+00 a 0 0 0 0 0 43 7.039 4.652 119.809 1 T 4.321e+08 0.00e+00 a 0 0 0 0 0 44 7.038 3.009 119.831 1 T 1.754e+08 0.00e+00 a 0 0 0 0 0 45 7.043 2.302 119.814 1 T 3.607e+08 0.00e+00 a 0 0 0 0 0 46 7.086 2.260 119.917 1 T 1.534e+08 0.00e+00 a 0 0 0 0 0 47 7.038 3.086 119.841 1 T 9.658e+07 0.00e+00 a 0 0 0 0 0 50 7.111 6.983 119.810 1 T 1.260e+08 0.00e+00 a 0 0 0 0 0 51 7.109 7.233 119.810 1 T 1.031e+08 0.00e+00 a 0 0 0 0 0 52 7.672 7.672 120.411 1 T -2.154e+08 0.00e+00 a 0 0 0 0 0 53 7.670 0.892 120.411 1 T -4.530e+07 0.00e+00 a 0 0 0 0 0 54 7.674 4.512 120.405 1 T -2.946e+07 0.00e+00 a 0 0 0 0 0 55 7.671 7.153 120.408 1 T -6.643e+07 0.00e+00 a 0 0 0 0 0 56 7.155 7.156 122.016 1 T -2.456e+08 0.00e+00 a 0 0 0 0 0 57 7.153 7.258 122.120 1 T -7.851e+07 0.00e+00 a 0 0 0 0 0 58 7.153 7.671 122.145 1 T -5.078e+07 0.00e+00 a 0 0 0 0 0 59 7.148 7.062 122.132 1 T -2.845e+07 0.00e+00 a 0 0 0 0 0 60 7.152 0.907 122.086 1 T -1.923e+07 0.00e+00 a 0 0 0 0 0 61 7.258 7.256 124.827 1 T -3.106e+08 0.00e+00 a 0 0 0 0 0 62 7.258 7.155 124.826 1 T -1.078e+08 0.00e+00 a 0 0 0 0 0 63 7.257 7.512 124.836 1 T -1.134e+08 0.00e+00 a 0 0 0 0 0 64 7.257 7.671 124.839 1 T -1.473e+07 0.00e+00 a 0 0 0 0 0 65 7.263 1.462 124.896 1 T -1.317e+07 0.00e+00 a 0 0 0 0 0 66 7.251 0.892 124.841 1 T -1.208e+07 0.00e+00 a 0 0 0 0 0 67 7.429 7.429 127.646 1 T 1.894e+08 0.00e+00 a 0 0 0 0 0 68 7.429 1.698 127.633 1 T 1.585e+07 0.00e+00 a 0 0 0 0 0 69 7.434 1.592 127.662 1 T 2.608e+07 0.00e+00 a 0 0 0 0 0 70 7.428 1.000 127.641 1 T 4.432e+07 0.00e+00 a 0 0 0 0 0 71 7.430 0.937 127.598 1 T 1.811e+07 0.00e+00 a 0 0 0 0 0 72 7.430 0.819 127.649 1 T 1.923e+07 0.00e+00 a 0 0 0 0 0 73 7.424 0.576 127.628 1 T 1.946e+07 0.00e+00 a 0 0 0 0 0 74 7.429 2.876 127.645 1 T 2.159e+07 0.00e+00 a 0 0 0 0 0 76 7.429 10.422 127.656 1 T 6.459e+07 0.00e+00 a 0 0 0 0 0 77 7.272 7.273 129.846 1 T -3.562e+08 0.00e+00 a 0 0 0 0 0 78 7.225 7.227 129.928 1 T -8.381e+07 0.00e+00 a 0 0 0 0 0 79 7.176 7.195 129.738 1 T -1.595e+07 0.00e+00 a 0 0 0 0 0 81 7.226 7.227 130.747 1 T -2.010e+08 0.00e+00 a 0 0 0 0 0 82 7.225 7.320 131.075 1 T -2.632e+08 0.00e+00 a 0 0 0 0 0 84 7.349 7.582 130.937 1 T -2.450e+07 0.00e+00 a 0 0 0 0 0 85 7.257 7.357 130.983 1 T -6.641e+07 0.00e+00 a 0 0 0 0 0 86 7.176 7.177 131.014 1 T -1.528e+08 0.00e+00 a 0 0 0 0 0 87 7.347 7.171 131.023 1 T -2.840e+07 0.00e+00 a 0 0 0 0 0 88 7.171 7.061 130.997 1 T -1.871e+07 0.00e+00 a 0 0 0 0 0 89 7.177 6.921 131.046 1 T -3.639e+07 0.00e+00 a 0 0 0 0 0 91 7.415 7.566 131.376 1 T -1.220e+08 0.00e+00 a 0 0 0 0 0 92 7.415 7.416 131.387 1 T -4.300e+08 0.00e+00 a 0 0 0 0 0 93 7.355 7.354 131.399 1 T -4.757e+08 0.00e+00 a 0 0 0 0 0 94 7.318 7.317 131.424 1 T -8.925e+08 0.00e+00 a 0 0 0 0 0 95 7.318 2.013 131.405 1 T -1.596e+07 0.00e+00 a 0 0 0 0 0 96 7.324 4.694 131.413 1 T 1.768e+07 0.00e+00 a 0 0 0 0 0 97 7.226 3.167 131.975 1 T -5.903e+07 0.00e+00 a 0 0 0 0 0 98 7.225 3.065 131.967 1 T -5.399e+07 0.00e+00 a 0 0 0 0 0 99 7.228 2.109 131.985 1 T -1.789e+07 0.00e+00 a 0 0 0 0 0 100 7.225 4.652 131.986 1 T -2.514e+07 0.00e+00 a 0 0 0 0 0 101 7.227 4.566 131.948 1 T -4.482e+07 0.00e+00 a 0 0 0 0 0 102 7.571 2.843 132.113 1 T -1.802e+07 0.00e+00 a 0 0 0 0 0 103 7.569 4.602 132.156 1 T -2.723e+07 0.00e+00 a 0 0 0 0 0 104 7.572 4.320 132.063 1 T -1.570e+07 0.00e+00 a 0 0 0 0 0 105 7.569 1.419 132.067 1 T -1.567e+07 0.00e+00 a 0 0 0 0 0 111 7.226 7.225 131.951 1 T -1.395e+09 0.00e+00 a 0 0 0 0 0 113 7.569 7.414 132.050 1 T -1.219e+08 0.00e+00 a 0 0 0 0 0 114 7.567 7.565 132.050 1 T -2.482e+08 0.00e+00 a 0 0 0 0 0 115 6.914 6.910 132.012 1 T -1.481e+08 0.00e+00 a 0 0 0 0 0 116 6.914 7.180 132.012 1 T -5.631e+07 0.00e+00 a 0 0 0 0 0 117 7.133 6.802 133.419 1 T -6.193e+08 0.00e+00 a 0 0 0 0 0 118 7.131 7.133 133.262 1 T -2.617e+09 0.00e+00 a 0 0 0 0 0 119 7.133 4.615 133.419 1 T -1.338e+08 0.00e+00 a 0 0 0 0 0 120 7.133 3.075 133.423 1 T -1.521e+08 0.00e+00 a 0 0 0 0 0 122 7.132 2.957 133.420 1 T -1.511e+08 0.00e+00 a 0 0 0 0 0 123 7.137 2.215 133.262 1 T -6.970e+07 0.00e+00 a 0 0 0 0 0 124 7.137 1.407 133.262 1 T -3.676e+07 0.00e+00 a 0 0 0 0 0 125 7.137 8.432 133.262 1 T -5.021e+07 0.00e+00 a 0 0 0 0 0 126 7.375 7.515 138.918 1 T -5.960e+07 0.00e+00 a 0 0 0 0 0 127 7.375 7.375 138.928 1 T -7.007e+08 0.00e+00 a 0 0 0 0 0 128 7.374 7.237 138.908 1 T -8.181e+07 0.00e+00 a 0 0 0 0 0 129 7.379 4.053 138.877 1 T -1.317e+07 0.00e+00 a 0 0 0 0 0 130 7.376 3.981 138.920 1 T -1.496e+07 0.00e+00 a 0 0 0 0 0 132 7.111 3.083 120.111 1 T 6.215e+07 0.00e+00 a 0 0 0 0 0 133 7.111 4.651 120.112 1 T 1.855e+08 0.00e+00 a 0 0 0 0 0 134 8.150 4.675 137.542 1 T 6.444e+08 0.00e+00 a 0 0 0 0 0 135 8.207 4.674 137.447 1 T 1.637e+08 0.00e+00 a 0 0 0 0 0 136 8.529 4.688 136.406 1 T -1.860e+08 0.00e+00 a 0 0 0 0 0 137 7.983 7.849 137.992 1 T -8.072e+07 0.00e+00 a 0 0 0 0 0 138 7.983 7.849 138.285 1 T -8.743e+07 0.00e+00 a 0 0 0 0 0 139 7.985 7.989 138.285 1 T -9.471e+08 0.00e+00 a 0 0 0 0 0 140 7.983 7.989 138.003 1 T -7.522e+08 0.00e+00 a 0 0 0 0 0 141 8.151 8.013 137.345 1 T -2.507e+09 0.00e+00 a 0 0 0 0 0 142 8.151 8.013 137.668 1 T -2.790e+09 0.00e+00 a 0 0 0 0 0 143 8.023 8.024 138.287 1 T -3.878e+08 0.00e+00 a 0 0 0 0 0 144 8.207 8.071 137.332 1 T -7.297e+08 0.00e+00 a 0 0 0 0 0 145 8.151 8.153 137.615 1 T -2.904e+10 0.00e+00 a 0 0 0 0 0 146 8.151 8.153 137.413 1 T -2.589e+10 0.00e+00 a 0 0 0 0 0 147 8.206 8.071 137.518 1 T -5.426e+08 0.00e+00 a 0 0 0 0 0 148 8.207 8.212 137.292 1 T -7.807e+09 0.00e+00 a 0 0 0 0 0 149 8.207 8.212 137.542 1 T -5.673e+09 0.00e+00 a 0 0 0 0 0 150 8.377 8.235 136.543 1 T -5.840e+07 0.00e+00 a 0 0 0 0 0 151 8.151 8.294 137.619 1 T -2.250e+09 0.00e+00 a 0 0 0 0 0 152 8.151 8.294 137.405 1 T -1.963e+09 0.00e+00 a 0 0 0 0 0 153 8.207 8.352 137.352 1 T -5.874e+08 0.00e+00 a 0 0 0 0 0 154 8.380 8.387 136.706 1 T -7.617e+08 0.00e+00 a 0 0 0 0 0 155 8.422 8.423 137.552 1 T -1.162e+08 0.00e+00 a 0 0 0 0 0 156 8.531 8.528 136.368 1 T -1.443e+09 0.00e+00 a 0 0 0 0 0 157 8.576 8.575 136.107 1 T -1.329e+08 0.00e+00 a 0 0 0 0 0 158 8.530 8.680 136.399 1 T -1.142e+08 0.00e+00 a 0 0 0 0 0 159 7.514 8.117 114.846 1 T -8.155e+06 0.00e+00 a 0 0 0 0 0 160 7.528 7.749 114.846 1 T -7.829e+06 0.00e+00 a 0 0 0 0 0 161 7.529 7.860 114.846 1 T -5.949e+06 0.00e+00 a 0 0 0 0 0 162 7.514 7.081 114.846 1 T -1.117e+07 0.00e+00 a 0 0 0 0 0 163 7.515 4.653 114.846 1 T -7.914e+06 0.00e+00 a 0 0 0 0 0 165 7.517 2.751 114.846 1 T -1.088e+07 0.00e+00 a 0 0 0 0 0 166 7.508 2.687 114.846 1 T -1.047e+07 0.00e+00 a 0 0 0 0 0 168 7.505 2.382 114.846 1 T -9.073e+06 0.00e+00 a 0 0 0 0 0 169 7.526 2.276 114.846 1 T -6.388e+06 0.00e+00 a 0 0 0 0 0 170 7.530 2.196 114.846 1 T -6.788e+06 0.00e+00 a 0 0 0 0 0 171 7.519 2.034 114.846 1 T -7.183e+06 0.00e+00 a 0 0 0 0 0 172 7.526 1.940 114.846 1 T -7.910e+06 0.00e+00 a 0 0 0 0 0 173 7.518 1.831 114.846 1 T -9.483e+06 0.00e+00 a 0 0 0 0 0 174 7.506 1.737 114.846 1 T -6.046e+06 0.00e+00 a 0 0 0 0 0 175 7.520 1.666 114.846 1 T -1.580e+07 0.00e+00 a 0 0 0 0 0 176 7.508 1.639 114.846 1 T -1.031e+07 0.00e+00 a 0 0 0 0 0 178 7.506 1.524 114.846 1 T -9.144e+06 0.00e+00 a 0 0 0 0 0 179 7.517 1.457 114.846 1 T -1.654e+07 0.00e+00 a 0 0 0 0 0 180 7.530 1.370 114.846 1 T -8.048e+06 0.00e+00 a 0 0 0 0 0 181 7.507 1.569 114.846 1 T -9.452e+06 0.00e+00 a 0 0 0 0 0 182 7.520 1.575 114.846 1 T -9.650e+06 0.00e+00 a 0 0 0 0 0 183 7.506 1.332 114.846 1 T -6.890e+06 0.00e+00 a 0 0 0 0 0 184 7.517 1.309 114.846 1 T -5.827e+06 0.00e+00 a 0 0 0 0 0 185 7.521 1.230 114.846 1 T -6.877e+06 0.00e+00 a 0 0 0 0 0 186 7.510 1.195 114.846 1 T -7.194e+06 0.00e+00 a 0 0 0 0 0 187 7.513 1.133 114.846 1 T -1.037e+07 0.00e+00 a 0 0 0 0 0 188 7.520 1.009 114.846 1 T -1.027e+07 0.00e+00 a 0 0 0 0 0 189 7.513 0.893 114.846 1 T -1.228e+07 0.00e+00 a 0 0 0 0 0 190 7.513 0.570 114.846 1 T -7.063e+06 0.00e+00 a 0 0 0 0 0 191 6.804 6.796 115.940 1 T -4.264e+07 0.00e+00 a 0 0 0 0 0 192 6.825 6.698 117.460 1 T 1.221e+07 0.00e+00 a 0 0 0 0 0 193 6.826 6.954 117.530 1 T 1.214e+07 0.00e+00 a 0 0 0 0 0 194 6.791 6.933 117.632 1 T 9.995e+06 0.00e+00 a 0 0 0 0 0 195 6.786 7.121 117.510 1 T 8.916e+06 0.00e+00 a 0 0 0 0 0 196 6.783 6.787 117.514 1 T 2.656e+08 0.00e+00 a 0 0 0 0 0 197 6.828 8.178 117.656 1 T 7.932e+06 0.00e+00 a 0 0 0 0 0 198 6.826 9.077 117.607 1 T 5.436e+06 0.00e+00 a 0 0 0 0 0 199 6.785 8.648 117.646 1 T 4.194e+06 0.00e+00 a 0 0 0 0 0 200 6.818 4.651 117.530 1 T 1.176e+07 0.00e+00 a 0 0 0 0 0 201 6.796 4.606 117.544 1 T 1.109e+07 0.00e+00 a 0 0 0 0 0 202 6.827 3.059 117.371 1 T 1.162e+07 0.00e+00 a 0 0 0 0 0 203 6.825 2.758 117.596 1 T 9.063e+06 0.00e+00 a 0 0 0 0 0 204 6.826 2.874 117.655 1 T 4.487e+06 0.00e+00 a 0 0 0 0 0 205 6.824 4.413 117.630 1 T 7.039e+06 0.00e+00 a 0 0 0 0 0 206 6.902 6.902 117.736 1 T 3.280e+07 0.00e+00 a 0 0 0 0 0 208 6.899 7.018 117.675 1 T 5.239e+06 0.00e+00 a 0 0 0 0 0 209 6.800 4.483 118.283 1 T -2.132e+07 0.00e+00 a 0 0 0 0 0 210 6.803 4.393 118.283 1 T -1.927e+07 0.00e+00 a 0 0 0 0 0 211 6.803 4.548 118.283 1 T -3.581e+07 0.00e+00 a 0 0 0 0 0 212 6.803 4.617 118.283 1 T -7.302e+07 0.00e+00 a 0 0 0 0 0 213 6.800 3.948 118.341 1 T -2.186e+07 0.00e+00 a 0 0 0 0 0 214 6.802 2.620 118.341 1 T -3.174e+07 0.00e+00 a 0 0 0 0 0 215 6.803 1.466 118.341 1 T -2.526e+07 0.00e+00 a 0 0 0 0 0 216 6.801 0.851 118.341 1 T -3.038e+07 0.00e+00 a 0 0 0 0 0 217 6.795 0.617 118.341 1 T -6.316e+06 0.00e+00 a 0 0 0 0 0 218 6.806 0.807 118.341 1 T -2.312e+07 0.00e+00 a 0 0 0 0 0 219 6.801 1.083 118.341 1 T -1.075e+07 0.00e+00 a 0 0 0 0 0 220 6.812 1.202 118.341 1 T -1.092e+07 0.00e+00 a 0 0 0 0 0 221 6.804 1.563 118.341 1 T -1.451e+07 0.00e+00 a 0 0 0 0 0 222 6.809 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0 0 0 0 0 738 8.525 3.656 136.013 1 T -5.665e+06 0.00e+00 a 0 0 0 0 0 739 8.542 4.010 136.289 1 T -6.417e+06 0.00e+00 a 0 0 0 0 0 740 8.523 4.143 136.423 1 T -5.939e+06 0.00e+00 a 0 0 0 0 0 741 8.533 3.927 136.363 1 T -5.656e+06 0.00e+00 a 0 0 0 0 0 742 8.520 4.493 136.378 1 T -1.101e+07 0.00e+00 a 0 0 0 0 0 743 8.529 4.620 136.425 1 T -1.973e+07 0.00e+00 a 0 0 0 0 0 744 8.529 4.569 136.408 1 T -1.803e+07 0.00e+00 a 0 0 0 0 0 745 8.529 4.843 136.375 1 T -1.750e+07 0.00e+00 a 0 0 0 0 0 747 8.528 4.777 136.420 1 T -1.996e+07 0.00e+00 a 0 0 0 0 0 748 8.371 4.682 136.125 1 T -5.895e+06 0.00e+00 a 0 0 0 0 0 749 8.517 5.047 136.419 1 T -6.935e+06 0.00e+00 a 0 0 0 0 0 750 8.524 5.003 136.073 1 T -6.473e+06 0.00e+00 a 0 0 0 0 0 751 8.523 7.290 136.406 1 T -1.049e+07 0.00e+00 a 0 0 0 0 0 752 8.539 7.269 136.425 1 T -1.093e+07 0.00e+00 a 0 0 0 0 0 753 8.534 7.164 136.417 1 T -6.161e+06 0.00e+00 a 0 0 0 0 0 754 8.532 8.057 136.116 1 T -5.618e+06 0.00e+00 a 0 0 0 0 0 755 8.521 8.026 136.396 1 T 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8.063 136.574 1 T 3.512e+07 0.00e+00 a 0 0 0 0 0 779 8.150 8.290 136.606 1 T 1.375e+08 0.00e+00 a 0 0 0 0 0 780 8.208 8.350 136.573 1 T 3.861e+07 0.00e+00 a 0 0 0 0 0 781 8.208 8.207 136.086 1 T 1.335e+08 0.00e+00 a 0 0 0 0 0 782 8.233 8.090 136.572 1 T 1.705e+07 0.00e+00 a 0 0 0 0 0 783 8.278 8.275 136.293 1 T 2.518e+07 0.00e+00 a 0 0 0 0 0 784 8.255 8.252 136.319 1 T 2.919e+07 0.00e+00 a 0 0 0 0 0 785 8.147 4.673 136.580 1 T -4.809e+07 0.00e+00 a 0 0 0 0 0 786 8.150 4.134 136.410 1 T -1.367e+07 0.00e+00 a 0 0 0 0 0 787 8.148 2.687 136.446 1 T 2.025e+07 0.00e+00 a 0 0 0 0 0 788 8.157 3.082 136.491 1 T 1.848e+07 0.00e+00 a 0 0 0 0 0 789 8.157 3.040 136.575 1 T -2.938e+07 0.00e+00 a 0 0 0 0 0 790 8.154 2.950 136.456 1 T 1.362e+07 0.00e+00 a 0 0 0 0 0 792 8.157 1.189 136.685 1 T -2.691e+07 0.00e+00 a 0 0 0 0 0 793 8.410 3.803 137.564 1 T -1.322e+07 0.00e+00 a 0 0 0 0 0 794 8.421 3.781 137.614 1 T -1.160e+07 0.00e+00 a 0 0 0 0 0 795 8.424 4.682 137.536 1 T -3.953e+07 0.00e+00 a 0 0 0 0 0 797 8.412 4.580 137.533 1 T -8.510e+06 0.00e+00 a 0 0 0 0 0 798 8.424 3.689 137.592 1 T -8.501e+06 0.00e+00 a 0 0 0 0 0 799 8.424 3.588 137.684 1 T -8.667e+06 0.00e+00 a 0 0 0 0 0 800 7.375 3.339 139.105 1 T -1.233e+07 0.00e+00 a 0 0 0 0 0 801 7.323 7.323 138.907 1 T -1.941e+08 0.00e+00 a 0 0 0 0 0 802 7.317 7.227 139.173 1 T -1.754e+07 0.00e+00 a 0 0 0 0 0 803 7.323 7.188 138.901 1 T -2.244e+07 0.00e+00 a 0 0 0 0 0 804 7.326 7.464 138.934 1 T -1.300e+07 0.00e+00 a 0 0 0 0 0 805 7.480 7.481 139.210 1 T -2.365e+07 0.00e+00 a 0 0 0 0 0 806 8.021 7.882 138.321 1 T -4.018e+07 0.00e+00 a 0 0 0 0 0 807 8.006 7.866 138.265 1 T -4.234e+07 0.00e+00 a 0 0 0 0 0 808 8.027 8.171 138.415 1 T -2.299e+07 0.00e+00 a 0 0 0 0 0 809 8.005 8.180 137.835 1 T 8.439e+06 0.00e+00 a 0 0 0 0 0 811 8.016 8.160 138.394 1 T -2.618e+07 0.00e+00 a 0 0 0 0 0 812 7.982 8.121 138.135 1 T -7.803e+07 0.00e+00 a 0 0 0 0 0 813 5.993 3.677 107.646 1 T 3.603e+06 0.00e+00 a 0 0 0 0 0 814 7.514 7.622 114.802 1 T -2.401e+07 0.00e+00 a 0 0 0 0 0 816 7.157 7.387 122.062 1 T -9.493e+06 0.00e+00 a 0 0 0 0 0 817 7.152 7.517 122.155 1 T -1.489e+07 0.00e+00 a 0 0 0 0 0 818 7.168 4.130 122.066 1 T -8.951e+06 0.00e+00 a 0 0 0 0 0 819 7.159 4.504 122.295 1 T -8.950e+06 0.00e+00 a 0 0 0 0 0 820 7.155 2.278 122.375 1 T -8.941e+06 0.00e+00 a 0 0 0 0 0 821 7.145 1.595 122.110 1 T -9.599e+06 0.00e+00 a 0 0 0 0 0 823 7.155 1.863 122.033 1 T -1.080e+07 0.00e+00 a 0 0 0 0 0 825 7.239 1.555 124.744 1 T -6.828e+06 0.00e+00 a 0 0 0 0 0 826 7.265 1.687 124.824 1 T -6.340e+06 0.00e+00 a 0 0 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-aromatic . 'not observed' 9009 Hz . . . 4.67 . . 34918 1 2 . . H 1 H . 'not observed' 8993 Hz . . . 4.67 . . 34918 1 3 . . C 13 C-aromatic . 'not observed' 7541 Hz . . . 127.6 . . 34918 1 stop_ save_