######################### # 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 34603 _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 5 _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 1 8.323 3.602 104.981 1 T 1.528e+06 0.00e+00 a 0 - - - 2 8.318 3.514 104.977 1 T 1.668e+06 0.00e+00 a 0 - - - 3 8.322 0.921 104.978 1 T 1.969e+06 0.00e+00 a 0 - - - 4 8.320 7.999 104.932 1 T 1.122e+06 0.00e+00 a 0 - - - 6 6.457 2.529 110.249 1 T 9.757e+05 0.00e+00 a 0 - - - 7 6.455 2.940 110.281 1 T 1.669e+06 0.00e+00 a 0 - - - 8 6.457 0.839 110.156 1 T 2.441e+06 0.00e+00 a 0 - - - 9 6.455 7.541 110.237 1 T 1.335e+07 0.00e+00 a 0 - - - 10 6.460 3.927 110.327 1 T 6.811e+05 0.00e+00 a 0 - - - 11 6.453 4.486 110.261 1 T 6.626e+05 0.00e+00 a 0 - - - 12 6.456 2.222 110.129 1 T 6.240e+05 0.00e+00 a 0 - - - 13 6.455 1.097 109.994 1 T 5.650e+05 0.00e+00 a 0 - - - 14 7.543 2.543 110.139 1 T 1.593e+06 0.00e+00 a 0 - - - 15 7.544 2.939 110.220 1 T 1.834e+06 0.00e+00 a 0 - - - 16 5.647 7.858 105.862 1 T 1.217e+06 0.00e+00 a 0 - - - 17 5.635 4.693 105.608 1 T 6.280e+05 0.00e+00 a 0 - - - 18 5.654 3.019 105.879 1 T 5.040e+05 0.00e+00 a 0 - - - 19 7.869 4.844 105.904 1 T 5.189e+05 0.00e+00 a 0 - - - 20 7.865 3.901 106.071 1 T 6.976e+05 0.00e+00 a 0 - - - 21 7.857 2.978 105.855 1 T 1.189e+06 0.00e+00 a 0 - - - 22 7.860 0.974 105.824 1 T 6.731e+05 0.00e+00 a 0 - - - 23 7.863 5.639 105.970 1 T 2.124e+06 0.00e+00 a 0 - - - 24 6.629 7.234 110.749 1 T 2.116e+07 0.00e+00 a 0 - - - 25 7.236 6.627 110.751 1 T 2.024e+07 0.00e+00 a 0 - - - 26 7.237 3.965 110.668 1 T 1.303e+06 0.00e+00 a 0 - - - 27 6.634 3.935 110.795 1 T 7.553e+05 0.00e+00 a 0 - - - 28 6.629 2.656 110.805 1 T 1.692e+06 0.00e+00 a 0 - - - 29 6.628 2.437 110.772 1 T 1.009e+06 0.00e+00 a 0 - - - 30 6.631 2.293 110.709 1 T 2.684e+06 0.00e+00 a 0 - - - 31 6.633 1.997 110.737 1 T 9.743e+05 0.00e+00 a 0 - - - 32 7.237 2.656 110.746 1 T 2.651e+06 0.00e+00 a 0 - - - 33 7.257 2.512 110.922 1 T 3.052e+06 0.00e+00 a 0 - - - 34 7.243 2.295 110.767 1 T 5.207e+06 0.00e+00 a 0 - - - 35 7.252 2.051 110.924 1 T 1.910e+06 0.00e+00 a 0 - - - 36 7.243 1.871 110.706 1 T 7.545e+05 0.00e+00 a 0 - - - 37 6.865 4.851 110.461 1 T 1.024e+06 0.00e+00 a 0 - - - 38 6.866 3.966 110.363 1 T 1.194e+06 0.00e+00 a 0 - - - 39 6.864 2.334 110.437 1 T 4.064e+06 0.00e+00 a 0 - - - 40 7.604 2.335 110.373 1 T 6.984e+06 0.00e+00 a 0 - - - 41 7.605 4.853 110.423 1 T 7.834e+05 0.00e+00 a 0 - - - 42 7.604 3.949 110.394 1 T 2.145e+06 0.00e+00 a 0 - - - 43 6.863 2.101 110.430 1 T 2.277e+06 0.00e+00 a 0 - - - 44 7.604 2.101 110.374 1 T 2.620e+06 0.00e+00 a 0 - - - 45 7.604 1.705 110.419 1 T 8.551e+05 0.00e+00 a 0 - - - 46 7.601 1.576 110.400 1 T 6.759e+05 0.00e+00 a 0 - - - 47 6.838 2.296 111.051 1 T 3.466e+06 0.00e+00 a 0 - - - 48 6.807 2.764 111.190 1 T 1.852e+06 0.00e+00 a 0 - - - 49 6.835 7.117 111.449 1 T 7.737e+06 0.00e+00 a 0 - - - 50 7.118 6.833 111.480 1 T 4.435e+06 0.00e+00 a 0 - - - 51 7.117 2.130 111.470 1 T 1.502e+06 0.00e+00 a 0 - - - 52 6.836 2.109 111.321 1 T 3.258e+06 0.00e+00 a 0 - - - 53 6.871 2.210 111.720 1 T 1.762e+06 0.00e+00 a 0 - - - 54 6.716 2.300 111.970 1 T 2.957e+06 0.00e+00 a 0 - - - 55 7.444 2.298 111.959 1 T 4.693e+06 0.00e+00 a 0 - - - 56 6.980 7.603 112.076 1 T 4.518e+07 0.00e+00 a 0 - - - 57 6.926 7.595 112.247 1 T 9.601e+07 0.00e+00 a 0 - - - 58 6.807 3.049 111.210 1 T 1.847e+06 0.00e+00 a 0 - - - 59 7.481 2.763 111.118 1 T 1.547e+06 0.00e+00 a 0 - - - 60 7.477 3.053 111.116 1 T 2.006e+06 0.00e+00 a 0 - - - 61 6.877 2.393 112.770 1 T 1.567e+06 0.00e+00 a 0 - - - 62 7.546 2.398 112.831 1 T 2.337e+06 0.00e+00 a 0 - - - 63 7.243 3.317 113.304 1 T 9.414e+05 0.00e+00 a 0 - - - 64 7.240 2.617 113.274 1 T 1.168e+06 0.00e+00 a 0 - - - 65 7.241 8.306 113.316 1 T 3.629e+06 0.00e+00 a 0 - - - 66 8.298 7.241 113.332 1 T 1.555e+06 0.00e+00 a 0 - - - 67 7.699 4.852 111.860 1 T 1.871e+06 0.00e+00 a 0 - - - 68 7.698 2.217 111.849 1 T 1.767e+06 0.00e+00 a 0 - - - 69 7.698 2.482 111.815 1 T 3.583e+06 0.00e+00 a 0 - - - 70 7.831 8.601 122.935 1 T 2.880e+06 0.00e+00 a 0 - - - 71 7.829 4.850 122.988 1 T 1.577e+06 0.00e+00 a 0 - - - 72 7.831 4.056 122.942 1 T 3.851e+06 0.00e+00 a 0 - - - 73 7.828 3.868 122.882 1 T 1.434e+06 0.00e+00 a 0 - - - 74 7.821 3.603 123.006 1 T 7.791e+05 0.00e+00 a 0 - - - 75 7.831 2.198 122.947 1 T 4.926e+06 0.00e+00 a 0 - - - 76 7.831 1.717 122.956 1 T 8.434e+05 0.00e+00 a 0 - - - 77 7.889 8.441 118.818 1 T 3.495e+06 0.00e+00 a 0 - - - 79 7.871 8.072 118.776 1 T 3.591e+06 0.00e+00 a 0 - - - 80 7.869 7.205 118.842 1 T 8.184e+05 0.00e+00 a 0 - - - 81 8.070 7.786 118.871 1 T 4.444e+06 0.00e+00 a 0 - - - 82 8.063 8.532 118.765 1 T 2.423e+06 0.00e+00 a 0 - - - 83 8.077 7.249 119.116 1 T 7.838e+05 0.00e+00 a 0 - - - 84 8.065 4.837 119.007 1 T 1.997e+06 0.00e+00 a 0 - - - 85 8.073 4.443 118.980 1 T 3.691e+06 0.00e+00 a 0 - - - 86 8.055 4.255 118.970 1 T 5.945e+06 0.00e+00 a 0 - - - 87 8.071 4.052 119.142 1 T 2.723e+06 0.00e+00 a 0 - - - 88 8.067 3.895 118.746 1 T 2.885e+06 0.00e+00 a 0 - - - 89 8.056 3.590 118.877 1 T 1.901e+06 0.00e+00 a 0 - - - 90 8.073 3.342 118.986 1 T 6.780e+06 0.00e+00 a 0 - - - 91 8.067 0.328 118.710 1 T 2.664e+06 0.00e+00 a 0 - - - 92 8.067 0.895 118.777 1 T 4.498e+06 0.00e+00 a 0 - - - 93 8.060 1.251 118.853 1 T 1.754e+06 0.00e+00 a 0 - - - 95 8.059 1.549 118.824 1 T 1.268e+07 0.00e+00 a 0 - - - 96 8.068 2.000 119.113 1 T 5.516e+06 0.00e+00 a 0 - - - 97 8.058 2.164 118.841 1 T 6.025e+06 0.00e+00 a 0 - - - 98 8.430 8.218 115.749 1 T 1.970e+06 0.00e+00 a 0 - - - 99 8.427 8.010 115.693 1 T 1.595e+06 0.00e+00 a 0 - - - 100 8.072 0.524 118.844 1 T 8.631e+05 0.00e+00 a 0 - - - 102 8.053 8.811 118.980 1 T 2.328e+06 0.00e+00 a 0 - - - 103 7.772 8.234 121.447 1 T 2.381e+06 0.00e+00 a 0 - - - 104 7.769 8.066 121.202 1 T 1.728e+06 0.00e+00 a 0 - - - 105 7.785 8.514 121.037 1 T 7.805e+05 0.00e+00 a 0 - - - 106 7.797 8.850 121.086 1 T 2.257e+06 0.00e+00 a 0 - - - 108 7.765 3.927 121.544 1 T 3.685e+06 0.00e+00 a 0 - - - 109 7.785 4.114 121.017 1 T 3.712e+06 0.00e+00 a 0 - - - 110 7.746 4.369 121.169 1 T 4.931e+06 0.00e+00 a 0 - - - 111 7.775 3.344 121.325 1 T 2.017e+06 0.00e+00 a 0 - - - 112 7.775 3.451 121.279 1 T 1.643e+06 0.00e+00 a 0 - - - 113 7.788 2.148 121.125 1 T 7.855e+06 0.00e+00 a 0 - - - 114 7.772 2.118 121.285 1 T 7.766e+06 0.00e+00 a 0 - - - 115 7.747 1.673 121.212 1 T 8.006e+06 0.00e+00 a 0 - - - 117 8.203 8.722 120.092 1 T 1.515e+06 0.00e+00 a 0 - - - 118 8.223 7.770 119.846 1 T 1.618e+06 0.00e+00 a 0 - - - 119 8.215 3.565 120.023 1 T 2.093e+06 0.00e+00 a 0 - - - 120 8.192 4.059 120.274 1 T 5.101e+06 0.00e+00 a 0 - - - 121 8.221 1.505 119.929 1 T 1.227e+06 0.00e+00 a 0 - - - 122 8.204 1.082 120.087 1 T 1.935e+06 0.00e+00 a 0 - - - 123 8.220 0.750 119.951 1 T 2.818e+06 0.00e+00 a 0 - - - 126 8.430 4.438 115.701 1 T 8.959e+05 0.00e+00 a 0 - - - 127 8.428 4.273 115.720 1 T 2.457e+06 0.00e+00 a 0 - - - 128 8.426 4.036 115.727 1 T 1.150e+06 0.00e+00 a 0 - - - 129 8.432 3.885 115.725 1 T 1.950e+06 0.00e+00 a 0 - - - 130 8.435 3.550 115.798 1 T 7.250e+05 0.00e+00 a 0 - - - 131 8.430 1.886 115.713 1 T 1.750e+06 0.00e+00 a 0 - - - 132 8.428 1.248 115.757 1 T 2.026e+06 0.00e+00 a 0 - - - 133 8.429 0.893 115.705 1 T 2.250e+06 0.00e+00 a 0 - - - 134 8.433 0.746 115.713 1 T 1.155e+06 0.00e+00 a 0 - - - 135 7.991 4.237 122.450 1 T 5.384e+06 0.00e+00 a 0 - - - 136 8.005 4.077 122.462 1 T 2.653e+06 0.00e+00 a 0 - - - 137 8.007 3.892 122.426 1 T 1.387e+06 0.00e+00 a 0 - - - 138 8.005 1.773 122.476 1 T 3.155e+06 0.00e+00 a 0 - - - 139 8.001 1.250 122.484 1 T 2.872e+06 0.00e+00 a 0 - - - 140 7.990 1.563 122.457 1 T 1.477e+07 0.00e+00 a 0 - - - 141 8.002 0.836 122.460 1 T 4.060e+06 0.00e+00 a 0 - - - 142 8.000 0.332 122.351 1 T 8.345e+05 0.00e+00 a 0 - - - 143 7.998 3.581 122.496 1 T 1.260e+06 0.00e+00 a 0 - - - 144 8.004 3.482 122.435 1 T 1.183e+06 0.00e+00 a 0 - - - 145 8.010 4.836 122.435 1 T 4.906e+05 0.00e+00 a 0 - - - 146 8.005 8.421 122.485 1 T 2.698e+06 0.00e+00 a 0 - - - 147 7.991 8.693 122.474 1 T 8.902e+05 0.00e+00 a 0 - - - 148 7.996 2.010 122.485 1 T 1.487e+06 0.00e+00 a 0 - - - 149 7.991 2.208 122.511 1 T 1.889e+06 0.00e+00 a 0 - - - 150 7.994 2.456 122.533 1 T 7.731e+05 0.00e+00 a 0 - - - 151 8.001 1.091 122.466 1 T 1.662e+06 0.00e+00 a 0 - - - 152 8.318 2.393 104.986 1 T 5.470e+05 0.00e+00 a 0 - - - 153 8.333 2.042 104.983 1 T 5.519e+05 0.00e+00 a 0 - - - 154 8.322 1.774 104.899 1 T 8.679e+05 0.00e+00 a 0 - - - 155 8.319 1.544 104.865 1 T 8.121e+05 0.00e+00 a 0 - - - 156 8.326 1.434 104.845 1 T 7.813e+05 0.00e+00 a 0 - - - 157 8.332 1.107 104.921 1 T 7.947e+05 0.00e+00 a 0 - - - 158 8.325 0.319 105.025 1 T 7.336e+05 0.00e+00 a 0 - - - 159 8.193 2.267 120.213 1 T 5.363e+06 0.00e+00 a 0 - - - 160 8.202 2.455 119.995 1 T 2.905e+06 0.00e+00 a 0 - - - 161 6.629 8.197 110.701 1 T 5.427e+05 0.00e+00 a 0 - - - 162 6.630 0.901 110.706 1 T 3.444e+06 0.00e+00 a 0 - - - 163 6.629 0.735 110.680 1 T 5.704e+05 0.00e+00 a 0 - - - 164 6.630 0.308 110.846 1 T 6.968e+05 0.00e+00 a 0 - - - 165 7.244 0.905 110.784 1 T 5.376e+06 0.00e+00 a 0 - - - 166 7.258 1.139 111.034 1 T 8.478e+05 0.00e+00 a 0 - - - 167 7.237 1.105 110.756 1 T 9.423e+05 0.00e+00 a 0 - - - 168 7.243 0.751 110.725 1 T 7.714e+05 0.00e+00 a 0 - - - 169 7.235 0.313 110.742 1 T 7.439e+05 0.00e+00 a 0 - - - 170 8.716 8.354 123.196 1 T 1.306e+06 0.00e+00 a 0 - - - 171 8.719 8.206 123.255 1 T 1.407e+06 0.00e+00 a 0 - - - 173 8.715 4.040 123.267 1 T 9.832e+05 0.00e+00 a 0 - - - 174 8.718 3.685 123.240 1 T 1.740e+06 0.00e+00 a 0 - - - 176 8.723 2.000 123.256 1 T 1.287e+06 0.00e+00 a 0 - - - 177 8.719 2.377 123.249 1 T 2.523e+06 0.00e+00 a 0 - - - 178 8.719 1.086 123.281 1 T 2.994e+06 0.00e+00 a 0 - - - 179 8.721 0.946 123.250 1 T 1.960e+06 0.00e+00 a 0 - - - 180 8.719 1.251 123.155 1 T 7.079e+05 0.00e+00 a 0 - - - 181 8.355 8.706 121.424 1 T 1.312e+06 0.00e+00 a 0 - - - 182 8.357 8.159 121.388 1 T 1.134e+06 0.00e+00 a 0 - - - 183 8.359 3.666 121.388 1 T 9.586e+05 0.00e+00 a 0 - - - 184 8.355 3.490 121.387 1 T 1.397e+06 0.00e+00 a 0 - - - 185 8.364 3.190 121.439 1 T 6.912e+05 0.00e+00 a 0 - - - 186 8.359 2.375 121.403 1 T 1.337e+06 0.00e+00 a 0 - - - 188 8.356 2.028 121.382 1 T 1.869e+06 0.00e+00 a 0 - - - 189 8.354 1.803 121.408 1 T 1.610e+06 0.00e+00 a 0 - - - 190 8.357 1.083 121.486 1 T 1.327e+06 0.00e+00 a 0 - - - 191 8.358 0.853 121.390 1 T 3.714e+06 0.00e+00 a 0 - - - 192 8.357 0.727 121.396 1 T 1.520e+06 0.00e+00 a 0 - 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- - 1490 7.934 4.616 119.052 1 T 1.660e+06 0.00e+00 a 0 - - - 1491 7.935 4.256 119.097 1 T 2.468e+06 0.00e+00 a 0 - - - 1492 7.932 4.119 119.087 1 T 5.805e+06 0.00e+00 a 0 - - - 1493 7.934 2.468 119.066 1 T 4.288e+06 0.00e+00 a 0 - - - 1494 7.933 2.200 119.083 1 T 9.696e+06 0.00e+00 a 0 - - - 1495 7.933 1.524 119.051 1 T 6.064e+06 0.00e+00 a 0 - - - 1496 7.936 0.830 119.023 1 T 9.049e+05 0.00e+00 a 0 - - - 1497 7.798 5.996 121.102 1 T 8.698e+05 0.00e+00 a 0 - - - 1498 7.790 4.604 120.952 1 T 2.239e+06 0.00e+00 a 0 - - - 1499 7.790 3.866 120.996 1 T 3.149e+06 0.00e+00 a 0 - - - 1500 7.795 2.509 121.055 1 T 3.941e+06 0.00e+00 a 0 - - - 1501 7.748 0.913 121.158 1 T 3.925e+06 0.00e+00 a 0 - - - 1502 8.854 8.544 118.462 1 T 7.420e+05 0.00e+00 a 0 - - - 1503 8.850 7.921 118.327 1 T 8.671e+05 0.00e+00 a 0 - - - 1504 8.853 7.796 118.253 1 T 2.697e+06 0.00e+00 a 0 - - - 1505 8.853 7.542 118.271 1 T 3.267e+06 0.00e+00 a 0 - - - 1506 8.853 5.967 118.276 1 T 1.101e+06 0.00e+00 a 0 - - - 1507 8.853 4.844 118.263 1 T 7.484e+05 0.00e+00 a 0 - - - 1508 8.853 4.521 118.300 1 T 1.976e+06 0.00e+00 a 0 - - - 1510 8.851 4.271 118.300 1 T 1.763e+06 0.00e+00 a 0 - - - 1511 8.852 4.144 118.378 1 T 8.508e+05 0.00e+00 a 0 - - - 1512 8.853 3.867 118.337 1 T 1.460e+06 0.00e+00 a 0 - - - 1515 8.853 2.949 118.278 1 T 2.631e+06 0.00e+00 a 0 - - - 1516 8.853 2.672 118.272 1 T 2.021e+06 0.00e+00 a 0 - - - 1517 8.853 2.498 118.278 1 T 1.358e+06 0.00e+00 a 0 - - - 1518 8.855 2.191 118.253 1 T 2.617e+06 0.00e+00 a 0 - - - 1519 8.855 1.951 118.256 1 T 1.685e+06 0.00e+00 a 0 - - - 1520 8.853 1.591 118.288 1 T 1.865e+06 0.00e+00 a 0 - - - 1521 8.853 0.810 118.339 1 T 9.211e+05 0.00e+00 a 0 - - - 1522 8.853 0.983 118.403 1 T 6.807e+05 0.00e+00 a 0 - - - 1523 7.538 8.842 116.915 1 T 2.018e+06 0.00e+00 a 0 - - - 1524 7.534 4.505 116.952 1 T 7.387e+05 0.00e+00 a 0 - - - 1525 7.543 4.264 116.941 1 T 9.159e+05 0.00e+00 a 0 - - - 1526 7.542 4.127 116.932 1 T 1.832e+06 0.00e+00 a 0 - - - 1527 7.541 3.921 116.952 1 T 3.250e+06 0.00e+00 a 0 - - - 1528 7.539 2.210 116.949 1 T 9.017e+06 0.00e+00 a 0 - - - 1529 7.541 2.481 116.953 1 T 2.698e+06 0.00e+00 a 0 - - - 1530 7.540 2.673 116.997 1 T 1.350e+06 0.00e+00 a 0 - - - 1531 7.541 2.947 116.966 1 T 2.139e+06 0.00e+00 a 0 - - - 1532 7.540 1.517 117.001 1 T 1.005e+06 0.00e+00 a 0 - - - 1533 7.539 0.816 116.907 1 T 1.339e+06 0.00e+00 a 0 - - - 1534 6.998 7.567 113.507 1 T 4.923e+07 0.00e+00 a 0 - - - 1535 6.998 4.861 113.540 1 T 1.555e+06 0.00e+00 a 0 - - - 1536 6.995 4.592 113.553 1 T 6.188e+05 0.00e+00 a 0 - - - 1537 6.997 4.120 113.557 1 T 4.761e+05 0.00e+00 a 0 - - - 1538 6.999 3.916 113.453 1 T 7.330e+05 0.00e+00 a 0 - - - 1539 6.998 2.924 113.653 1 T 5.791e+05 0.00e+00 a 0 - - - 1540 6.998 2.530 113.492 1 T 3.317e+06 0.00e+00 a 0 - - - 1541 7.000 2.203 113.505 1 T 8.419e+05 0.00e+00 a 0 - - - 1542 6.996 1.510 113.482 1 T 1.321e+06 0.00e+00 a 0 - - - 1543 6.997 0.824 113.482 1 T 1.021e+06 0.00e+00 a 0 - - - 1544 7.569 6.996 113.502 1 T 4.793e+07 0.00e+00 a 0 - - - 1545 7.569 6.653 113.502 1 T 6.672e+05 0.00e+00 a 0 - - - 1546 7.568 3.924 113.460 1 T 1.315e+06 0.00e+00 a 0 - - - 1547 7.569 2.533 113.495 1 T 5.116e+06 0.00e+00 a 0 - - - 1549 7.568 2.211 113.481 1 T 1.368e+06 0.00e+00 a 0 - - - 1550 7.570 1.467 113.499 1 T 1.213e+06 0.00e+00 a 0 - - - 1551 7.567 0.821 113.521 1 T 8.649e+05 0.00e+00 a 0 - - - 1552 7.549 8.801 119.473 1 T 1.000e+06 0.00e+00 a 0 - - - 1553 7.549 9.180 119.508 1 T 3.130e+06 0.00e+00 a 0 - - - 1554 7.552 7.880 119.384 1 T 1.211e+06 0.00e+00 a 0 - - - 1555 7.551 4.142 119.511 1 T 3.802e+06 0.00e+00 a 0 - - - 1556 7.549 3.889 119.477 1 T 1.725e+06 0.00e+00 a 0 - - - 1557 7.550 2.883 119.466 1 T 1.119e+06 0.00e+00 a 0 - - - 1558 7.551 2.534 119.498 1 T 4.152e+06 0.00e+00 a 0 - - - 1559 7.550 2.208 119.508 1 T 1.046e+07 0.00e+00 a 0 - - - 1560 7.554 1.976 119.423 1 T 1.213e+06 0.00e+00 a 0 - - - 1561 7.577 1.650 119.805 1 T 6.935e+05 0.00e+00 a 0 - - - 1562 7.544 1.575 119.458 1 T 8.289e+05 0.00e+00 a 0 - - - 1563 7.552 1.450 119.675 1 T 7.091e+05 0.00e+00 a 0 - - - 1564 7.552 0.954 119.768 1 T 6.856e+05 0.00e+00 a 0 - - - 1565 7.557 0.826 119.424 1 T 6.133e+05 0.00e+00 a 0 - - - 1566 7.514 0.808 119.739 1 T 4.048e+05 0.00e+00 a 0 - - - 1567 6.871 7.696 111.857 1 T 6.049e+07 0.00e+00 a 0 - - - 1568 6.867 4.135 111.800 1 T 6.384e+05 0.00e+00 a 0 - - - 1569 6.871 2.479 111.816 1 T 2.981e+06 0.00e+00 a 0 - - - 1570 7.698 6.869 111.855 1 T 6.124e+07 0.00e+00 a 0 - - - 1571 7.699 3.852 111.684 1 T 5.379e+05 0.00e+00 a 0 - - - 1572 9.184 8.777 121.716 1 T 2.650e+06 0.00e+00 a 0 - - - 1573 9.182 7.882 121.735 1 T 1.216e+06 0.00e+00 a 0 - - - 1574 9.183 7.547 121.719 1 T 3.871e+06 0.00e+00 a 0 - - - 1575 9.180 4.854 121.741 1 T 6.350e+05 0.00e+00 a 0 - - - 1576 9.186 4.507 121.667 1 T 9.893e+05 0.00e+00 a 0 - - - 1577 9.184 4.056 121.712 1 T 3.069e+06 0.00e+00 a 0 - - - 1578 9.185 2.857 121.752 1 T 2.322e+06 0.00e+00 a 0 - - - 1579 9.185 2.518 121.746 1 T 1.365e+06 0.00e+00 a 0 - - - 1581 9.184 2.459 121.730 1 T 1.313e+06 0.00e+00 a 0 - - - 1582 9.183 2.196 121.725 1 T 6.433e+06 0.00e+00 a 0 - - - 1583 9.186 1.738 121.602 1 T 7.260e+05 0.00e+00 a 0 - - - 1584 9.181 1.441 121.723 1 T 1.321e+06 0.00e+00 a 0 - - - 1585 8.775 9.181 121.042 1 T 2.467e+06 0.00e+00 a 0 - - - 1586 8.774 7.540 121.106 1 T 9.798e+05 0.00e+00 a 0 - - - 1587 8.775 7.893 121.017 1 T 3.338e+06 0.00e+00 a 0 - - - 1588 8.775 4.852 121.080 1 T 6.386e+05 0.00e+00 a 0 - - - 1589 8.773 4.477 120.950 1 T 1.092e+06 0.00e+00 a 0 - - - 1590 8.776 4.297 120.992 1 T 2.113e+06 0.00e+00 a 0 - - - 1591 8.778 4.052 121.007 1 T 1.516e+06 0.00e+00 a 0 - - - 1592 8.777 3.936 121.034 1 T 1.139e+06 0.00e+00 a 0 - - - 1593 8.775 2.866 121.039 1 T 2.594e+06 0.00e+00 a 0 - - - 1594 8.775 2.369 120.873 1 T 9.380e+05 0.00e+00 a 0 - - - 1595 8.776 2.175 121.035 1 T 2.426e+06 0.00e+00 a 0 - - - 1596 8.776 1.433 121.019 1 T 5.867e+06 0.00e+00 a 0 - - - 1597 8.777 1.689 120.878 1 T 7.769e+05 0.00e+00 a 0 - - - 1598 8.779 0.812 120.816 1 T 8.572e+05 0.00e+00 a 0 - - - 1599 7.887 8.775 119.111 1 T 3.323e+06 0.00e+00 a 0 - - - 1600 7.889 7.553 119.090 1 T 1.861e+06 0.00e+00 a 0 - - - 1602 7.886 9.182 119.161 1 T 6.688e+05 0.00e+00 a 0 - - - 1603 7.888 1.439 119.012 1 T 5.892e+06 0.00e+00 a 0 - - - 1604 8.540 8.907 121.428 1 T 3.168e+06 0.00e+00 a 0 - - - 1605 8.537 8.300 121.353 1 T 9.423e+05 0.00e+00 a 0 - - - 1606 8.538 7.699 121.342 1 T 2.501e+06 0.00e+00 a 0 - - - 1607 8.536 4.680 121.292 1 T 1.428e+06 0.00e+00 a 0 - - - 1608 8.538 4.153 121.294 1 T 4.148e+06 0.00e+00 a 0 - - - 1609 8.539 2.865 121.324 1 T 2.391e+06 0.00e+00 a 0 - - - 1610 8.537 2.083 121.337 1 T 7.038e+06 0.00e+00 a 0 - - - 1611 8.536 1.796 121.372 1 T 2.984e+06 0.00e+00 a 0 - - - 1612 8.538 0.775 121.513 1 T 6.383e+05 0.00e+00 a 0 - - - 1613 8.530 1.270 121.591 1 T 6.746e+05 0.00e+00 a 0 - - - 1614 8.908 8.540 121.105 1 T 2.737e+06 0.00e+00 a 0 - - - 1615 8.909 7.900 121.119 1 T 3.383e+06 0.00e+00 a 0 - - - 1616 8.908 7.700 121.067 1 T 8.027e+05 0.00e+00 a 0 - - - 1617 8.908 9.352 121.127 1 T 6.096e+05 0.00e+00 a 0 - - - 1618 8.911 7.162 121.102 1 T 6.241e+05 0.00e+00 a 0 - - - 1619 8.911 4.060 121.084 1 T 2.146e+06 0.00e+00 a 0 - - - 1620 8.909 4.685 121.100 1 T 2.313e+06 0.00e+00 a 0 - - - 1621 8.909 4.289 120.953 1 T 1.566e+06 0.00e+00 a 0 - - - 1622 8.902 3.753 121.207 1 T 6.914e+05 0.00e+00 a 0 - - - 1623 8.909 2.866 121.097 1 T 4.052e+06 0.00e+00 a 0 - - - 1624 8.905 2.556 121.070 1 T 8.635e+05 0.00e+00 a 0 - - - 1625 8.909 2.241 121.110 1 T 2.999e+06 0.00e+00 a 0 - - - 1626 8.909 2.083 121.102 1 T 2.999e+06 0.00e+00 a 0 - - - 1627 8.907 1.689 121.143 1 T 1.597e+06 0.00e+00 a 0 - - - 1628 8.907 1.461 121.097 1 T 1.248e+06 0.00e+00 a 0 - - - 1629 7.705 7.868 119.250 1 T 2.418e+06 0.00e+00 a 0 - - - 1630 7.699 8.542 119.211 1 T 1.511e+06 0.00e+00 a 0 - - - 1631 7.778 8.534 118.940 1 T 5.250e+05 0.00e+00 a 0 - - - 1633 7.700 4.134 119.222 1 T 3.068e+06 0.00e+00 a 0 - - - 1634 7.695 3.251 119.303 1 T 9.802e+05 0.00e+00 a 0 - - - 1636 7.700 2.864 119.176 1 T 7.225e+05 0.00e+00 a 0 - - - 1637 7.701 1.692 119.245 1 T 2.299e+06 0.00e+00 a 0 - - - 1638 7.701 1.979 119.259 1 T 4.896e+06 0.00e+00 a 0 - - - 1639 7.866 8.291 120.330 1 T 1.873e+06 0.00e+00 a 0 - - - 1640 7.862 7.049 120.463 1 T 4.831e+05 0.00e+00 a 0 - - - 1641 7.857 4.103 120.098 1 T 1.968e+06 0.00e+00 a 0 - - - 1642 7.864 4.337 120.352 1 T 2.353e+06 0.00e+00 a 0 - - - 1643 7.872 4.699 120.321 1 T 9.001e+05 0.00e+00 a 0 - - - 1644 7.864 1.691 120.291 1 T 6.583e+06 0.00e+00 a 0 - - - 1645 8.296 7.864 120.086 1 T 2.472e+06 0.00e+00 a 0 - - - 1646 8.296 8.028 120.072 1 T 1.856e+06 0.00e+00 a 0 - - - 1647 8.293 7.316 120.056 1 T 1.246e+06 0.00e+00 a 0 - - - 1648 8.345 4.447 119.851 1 T 7.645e+05 0.00e+00 a 0 - - - 1649 8.294 4.417 120.080 1 T 3.146e+06 0.00e+00 a 0 - - - 1650 8.296 4.142 120.069 1 T 1.847e+06 0.00e+00 a 0 - - - 1651 8.299 4.679 119.992 1 T 7.402e+05 0.00e+00 a 0 - - - 1652 8.294 3.126 120.075 1 T 2.877e+06 0.00e+00 a 0 - - - 1653 8.294 3.379 120.075 1 T 3.025e+06 0.00e+00 a 0 - - - 1654 8.293 1.692 120.023 1 T 3.437e+06 0.00e+00 a 0 - - - 1655 8.030 7.305 118.637 1 T 7.487e+05 0.00e+00 a 0 - - - 1656 8.031 8.299 118.747 1 T 1.914e+06 0.00e+00 a 0 - - - 1657 8.033 4.846 118.773 1 T 1.786e+06 0.00e+00 a 0 - - - 1658 8.031 4.417 118.749 1 T 2.713e+06 0.00e+00 a 0 - - - 1659 8.028 3.132 118.653 1 T 1.694e+06 0.00e+00 a 0 - - - 1660 8.031 2.550 118.628 1 T 1.903e+06 0.00e+00 a 0 - - - 1661 8.031 2.150 118.789 1 T 6.864e+06 0.00e+00 a 0 - - - 1662 6.980 4.855 112.063 1 T 4.619e+06 0.00e+00 a 0 - - - 1663 6.987 4.398 112.128 1 T 6.426e+05 0.00e+00 a 0 - - - 1664 6.980 4.158 111.989 1 T 7.123e+05 0.00e+00 a 0 - - - 1665 6.976 3.268 111.959 1 T 6.430e+05 0.00e+00 a 0 - - - 1666 6.977 3.206 112.059 1 T 5.583e+05 0.00e+00 a 0 - - - 1667 6.981 2.530 112.121 1 T 1.682e+06 0.00e+00 a 0 - - - 1668 6.978 2.151 112.002 1 T 9.513e+05 0.00e+00 a 0 - - - 1669 6.977 1.794 112.007 1 T 5.681e+05 0.00e+00 a 0 - - - 1670 7.611 3.183 112.172 1 T 7.724e+05 0.00e+00 a 0 - - - 1671 7.821 8.030 118.437 1 T 1.186e+06 0.00e+00 a 0 - - - 1672 7.820 4.856 118.206 1 T 1.399e+06 0.00e+00 a 0 - - - 1673 7.818 4.155 118.157 1 T 2.130e+06 0.00e+00 a 0 - - - 1674 7.819 4.386 118.155 1 T 2.558e+06 0.00e+00 a 0 - - - 1675 7.820 2.694 118.126 1 T 1.501e+06 0.00e+00 a 0 - - - 1676 7.818 2.150 118.192 1 T 4.222e+06 0.00e+00 a 0 - - - 1677 7.745 4.853 121.175 1 T 2.690e+06 0.00e+00 a 0 - - - 1678 8.180 7.746 121.926 1 T 1.061e+06 0.00e+00 a 0 - - - 1679 8.179 4.851 121.891 1 T 2.734e+06 0.00e+00 a 0 - - - 1680 8.179 4.290 121.904 1 T 6.869e+06 0.00e+00 a 0 - - - 1681 8.180 3.182 122.020 1 T 6.197e+05 0.00e+00 a 0 - - - 1682 8.183 2.157 121.914 1 T 4.812e+05 0.00e+00 a 0 - - - 1683 8.180 1.791 121.885 1 T 3.616e+06 0.00e+00 a 0 - - - 1684 8.180 1.623 121.886 1 T 2.889e+06 0.00e+00 a 0 - - - 1685 8.178 0.910 121.934 1 T 1.647e+06 0.00e+00 a 0 - - - 1686 8.459 3.518 123.128 1 T 5.604e+05 0.00e+00 a 0 - - - 1687 8.496 0.825 123.479 1 T 6.833e+05 0.00e+00 a 0 - - - 1688 8.043 4.261 126.922 1 T 1.232e+06 0.00e+00 a 0 - - - 1689 8.043 4.389 126.971 1 T 1.546e+07 0.00e+00 a 0 - - - 1690 8.043 4.855 126.971 1 T 1.484e+06 0.00e+00 a 0 - - - 1691 8.046 3.201 126.938 1 T 7.628e+05 0.00e+00 a 0 - - - 1692 8.044 2.605 126.980 1 T 5.813e+06 0.00e+00 a 0 - - - 1693 8.043 1.904 126.977 1 T 2.386e+06 0.00e+00 a 0 - - - 1694 8.043 1.757 126.943 1 T 3.201e+06 0.00e+00 a 0 - - - 1695 8.042 1.635 126.976 1 T 2.385e+06 0.00e+00 a 0 - - - 1697 8.601 2.329 119.222 1 T 1.317e+06 0.00e+00 a 0 - - - 1698 8.602 2.130 119.179 1 T 2.427e+06 0.00e+00 a 0 - - - 1699 8.620 3.843 119.109 1 T 1.559e+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 HN . . 18.0 ppm . . . 4.84 . . 34603 1 2 . . H 1 H . . 12.0 ppm . . . 4.84 . . 34603 1 3 . . N 15 N . . 29.5 ppm . . . 117.65 . . 34603 1 stop_ save_