######################### # 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 34604 _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 8.046 3.887 118.704 1 T 3.237e+06 0.00e+00 a 0 - - - 2 8.047 1.520 118.715 1 T 6.209e+06 0.00e+00 a 0 - - - 3 8.048 0.337 118.695 1 T 2.463e+06 0.00e+00 a 0 - - - 4 8.045 0.896 118.674 1 T 3.524e+06 0.00e+00 a 0 - - - 5 8.372 1.870 115.669 1 T 2.373e+06 0.00e+00 a 0 - - - 6 8.374 1.240 115.668 1 T 2.125e+06 0.00e+00 a 0 - - - 7 8.375 0.891 115.664 1 T 2.772e+06 0.00e+00 a 0 - - - 8 8.374 3.576 115.614 1 T 9.009e+05 0.00e+00 a 0 - - - 9 8.374 3.884 115.672 1 T 2.562e+06 0.00e+00 a 0 - - - 10 8.373 4.248 115.691 1 T 3.606e+06 0.00e+00 a 0 - - - 11 8.373 4.437 115.694 1 T 1.306e+06 0.00e+00 a 0 - - - 12 8.373 8.032 115.695 1 T 2.376e+06 0.00e+00 a 0 - - - 13 8.375 8.178 115.686 1 T 2.110e+06 0.00e+00 a 0 - - - 15 8.379 0.752 115.654 1 T 1.151e+06 0.00e+00 a 0 - - - 16 8.034 3.891 122.526 1 T 1.225e+06 0.00e+00 a 0 - - - 17 8.033 4.066 122.505 1 T 3.285e+06 0.00e+00 a 0 - - - 18 8.028 4.246 122.484 1 T 3.629e+06 0.00e+00 a 0 - - - 19 8.034 4.424 122.438 1 T 1.181e+06 0.00e+00 a 0 - - - 20 8.033 1.725 122.500 1 T 3.624e+06 0.00e+00 a 0 - - - 21 7.995 1.553 122.483 1 T 1.457e+07 0.00e+00 a 0 - - - 22 8.434 3.544 105.215 1 T 2.539e+06 0.00e+00 a 0 - - - 23 8.619 3.681 123.206 1 T 1.944e+06 0.00e+00 a 0 - - - 24 8.622 2.367 123.211 1 T 3.046e+06 0.00e+00 a 0 - - - 25 8.145 3.961 119.972 1 T 3.138e+06 0.00e+00 a 0 - - - 26 8.180 3.575 120.027 1 T 2.318e+06 0.00e+00 a 0 - - - 27 8.176 4.470 120.409 1 T 1.447e+07 0.00e+00 a 0 - - - 28 8.119 4.498 120.341 1 T 5.660e+06 0.00e+00 a 0 - - - 29 8.176 1.992 120.374 1 T 9.203e+06 0.00e+00 a 0 - - - 30 8.410 3.484 121.346 1 T 2.451e+06 0.00e+00 a 0 - - - 31 8.168 3.927 119.157 1 T 3.190e+06 0.00e+00 a 0 - - - 32 7.870 3.668 118.717 1 T 5.293e+06 0.00e+00 a 0 - - - 33 8.420 3.963 117.892 1 T 3.725e+06 0.00e+00 a 0 - - - 34 8.585 3.888 117.935 1 T 2.672e+06 0.00e+00 a 0 - - - 35 8.559 3.925 118.570 1 T 4.991e+06 0.00e+00 a 0 - - - 36 7.576 3.831 118.040 1 T 3.668e+06 0.00e+00 a 0 - - - 37 7.209 4.246 115.413 1 T 4.187e+06 0.00e+00 a 0 - - - 38 8.593 4.228 119.116 1 T 1.875e+06 0.00e+00 a 0 - - - 39 8.750 3.894 119.209 1 T 3.380e+06 0.00e+00 a 0 - - - 40 7.839 3.919 119.847 1 T 4.875e+06 0.00e+00 a 0 - - - 41 8.005 3.445 105.446 1 T 2.770e+06 0.00e+00 a 0 - - - 42 8.003 4.085 105.447 1 T 3.488e+06 0.00e+00 a 0 - - - 43 8.422 4.226 120.886 1 T 3.494e+06 0.00e+00 a 0 - - - 44 8.543 3.426 118.917 1 T 3.092e+06 0.00e+00 a 0 - - - 45 8.542 2.154 118.931 1 T 4.209e+06 0.00e+00 a 0 - - - 46 8.579 1.397 119.084 1 T 2.034e+06 0.00e+00 a 0 - - - 47 8.014 2.144 118.656 1 T 5.684e+06 0.00e+00 a 0 - - - 48 7.698 2.956 120.786 1 T 2.761e+06 0.00e+00 a 0 - - - 49 7.710 3.574 120.714 1 T 2.423e+06 0.00e+00 a 0 - - - 50 7.699 4.194 120.789 1 T 4.985e+06 0.00e+00 a 0 - - - 51 7.706 1.547 120.872 1 T 2.189e+06 0.00e+00 a 0 - - - 52 7.881 3.935 119.519 1 T 4.388e+06 0.00e+00 a 0 - - - 53 7.925 1.518 119.099 1 T 6.833e+06 0.00e+00 a 0 - - - 54 7.882 4.448 119.258 1 T 5.208e+06 0.00e+00 a 0 - - - 55 7.926 2.192 119.132 1 T 1.070e+07 0.00e+00 a 0 - - - 56 7.956 4.033 119.120 1 T 4.997e+06 0.00e+00 a 0 - - - 57 7.996 1.549 118.886 1 T 1.131e+07 0.00e+00 a 0 - - - 58 8.018 4.081 119.581 1 T 5.782e+06 0.00e+00 a 0 - - - 59 8.015 2.173 119.607 1 T 7.477e+06 0.00e+00 a 0 - - - 60 8.024 3.700 119.692 1 T 5.090e+06 0.00e+00 a 0 - - - 61 8.025 4.614 119.724 1 T 2.370e+06 0.00e+00 a 0 - - - 62 8.025 2.631 119.734 1 T 1.458e+06 0.00e+00 a 0 - - - 63 8.023 3.311 119.743 1 T 3.554e+06 0.00e+00 a 0 - - - 64 8.024 4.447 119.674 1 T 2.271e+06 0.00e+00 a 0 - - - 65 8.087 4.374 119.615 1 T 2.153e+06 0.00e+00 a 0 - - - 66 8.125 3.857 118.994 1 T 2.568e+06 0.00e+00 a 0 - - - 67 8.159 4.563 119.514 1 T 3.846e+06 0.00e+00 a 0 - - - 68 8.171 4.231 119.583 1 T 2.971e+06 0.00e+00 a 0 - - - 69 7.864 4.330 120.432 1 T 3.178e+06 0.00e+00 a 0 - - - 70 7.798 4.239 120.440 1 T 4.303e+06 0.00e+00 a 0 - - - 71 7.784 4.588 121.016 1 T 2.555e+06 0.00e+00 a 0 - - - 72 7.785 1.609 120.976 1 T 4.631e+06 0.00e+00 a 0 - - - 73 7.785 1.803 120.853 1 T 3.548e+06 0.00e+00 a 0 - - - 74 7.699 2.124 120.805 1 T 7.250e+06 0.00e+00 a 0 - - - 75 7.785 2.159 121.068 1 T 8.788e+06 0.00e+00 a 0 - - - 76 7.784 2.504 121.091 1 T 4.559e+06 0.00e+00 a 0 - - - 77 7.732 1.666 121.252 1 T 6.375e+06 0.00e+00 a 0 - - - 78 7.783 2.016 122.365 1 T 3.018e+06 0.00e+00 a 0 - - - 81 8.440 4.059 119.448 1 T 1.762e+06 0.00e+00 a 0 - - - 82 8.446 1.890 119.420 1 T 1.722e+06 0.00e+00 a 0 - - - 83 8.358 2.218 122.482 1 T 9.399e+06 0.00e+00 a 0 - - - 84 8.360 2.472 122.497 1 T 2.218e+06 0.00e+00 a 0 - - - 85 8.350 4.224 123.063 1 T 4.173e+06 0.00e+00 a 0 - - - 86 8.449 4.082 123.114 1 T 2.253e+06 0.00e+00 a 0 - - - 87 8.447 4.225 123.067 1 T 2.218e+06 0.00e+00 a 0 - - - 88 8.448 1.436 123.065 1 T 7.344e+06 0.00e+00 a 0 - - - 89 8.447 3.892 123.063 1 T 5.236e+06 0.00e+00 a 0 - - - 90 8.517 4.517 123.650 1 T 2.355e+06 0.00e+00 a 0 - - - 91 8.845 4.439 119.339 1 T 3.821e+06 0.00e+00 a 0 - - - 92 8.716 4.616 120.062 1 T 1.266e+06 0.00e+00 a 0 - - - 93 7.700 4.517 113.387 1 T 6.704e+05 0.00e+00 a 0 - - - 94 7.699 4.130 113.327 1 T 1.525e+06 0.00e+00 a 0 - - - 95 8.381 4.619 119.558 1 T 7.721e+05 0.00e+00 a 0 - - - 96 8.455 4.447 121.976 1 T 6.500e+05 0.00e+00 a 0 - - - 97 8.488 3.772 119.519 1 T 1.784e+06 0.00e+00 a 0 - - - 99 8.033 4.380 127.036 1 T 1.547e+07 0.00e+00 a 0 - - - 100 6.445 7.533 110.281 1 T 1.322e+07 0.00e+00 a 0 - - - 101 6.856 2.335 110.580 1 T 3.672e+06 0.00e+00 a 0 - - - 102 7.589 2.333 110.563 1 T 6.579e+06 0.00e+00 a 0 - - - 103 7.124 6.826 111.251 1 T 4.427e+06 0.00e+00 a 0 - - - 104 7.120 2.236 111.259 1 T 8.723e+05 0.00e+00 a 0 - - - 105 7.124 2.114 111.257 1 T 1.209e+06 0.00e+00 a 0 - - - 106 7.650 3.137 111.896 1 T 2.661e+06 0.00e+00 a 0 - - - 107 6.975 3.145 111.937 1 T 8.944e+05 0.00e+00 a 0 - - - 108 6.924 3.137 111.985 1 T 2.692e+06 0.00e+00 a 0 - - - 109 6.917 7.584 112.301 1 T 9.624e+07 0.00e+00 a 0 - - - 110 10.075 4.566 128.129 1 T 2.163e+06 0.00e+00 a 0 - - - 111 10.076 3.175 128.201 1 T 8.532e+05 0.00e+00 a 0 - - - 112 9.908 6.959 127.403 1 T 9.332e+06 0.00e+00 a 0 - - - 113 9.907 7.337 127.401 1 T 4.460e+06 0.00e+00 a 0 - - - 114 10.075 7.331 128.152 1 T 4.925e+06 0.00e+00 a 0 - - - 115 10.076 7.023 128.149 1 T 1.117e+07 0.00e+00 a 0 - - - 116 6.861 2.472 111.888 1 T 3.179e+06 0.00e+00 a 0 - - - 117 6.860 2.179 111.883 1 T 1.500e+06 0.00e+00 a 0 - - - 118 6.875 2.872 112.312 1 T 9.200e+05 0.00e+00 a 0 - - - 119 8.176 4.062 120.372 1 T 5.153e+06 0.00e+00 a 0 - - - 121 7.831 4.047 122.884 1 T 3.493e+06 0.00e+00 a 0 - - - 122 7.830 3.850 122.881 1 T 1.600e+06 0.00e+00 a 0 - - - 123 7.828 3.294 122.802 1 T 6.780e+05 0.00e+00 a 0 - - - 124 7.829 2.189 122.872 1 T 3.538e+06 0.00e+00 a 0 - - - 125 7.829 2.115 122.863 1 T 3.377e+06 0.00e+00 a 0 - - - 126 7.828 2.309 122.871 1 T 2.953e+06 0.00e+00 a 0 - - - 127 7.832 1.674 122.813 1 T 6.861e+05 0.00e+00 a 0 - - - 128 7.826 4.234 122.787 1 T 7.145e+05 0.00e+00 a 0 - - - 129 7.830 8.584 122.865 1 T 1.492e+06 0.00e+00 a 0 - - - 130 7.818 8.616 118.719 1 T 1.802e+06 0.00e+00 a 0 - - - 132 7.821 8.174 118.675 1 T 1.013e+06 0.00e+00 a 0 - - - 133 7.819 8.022 118.694 1 T 2.661e+06 0.00e+00 a 0 - - - 134 7.823 7.254 118.636 1 T 6.400e+05 0.00e+00 a 0 - - - 135 7.813 4.694 118.679 1 T 5.706e+05 0.00e+00 a 0 - - - 136 7.818 4.014 118.707 1 T 4.838e+06 0.00e+00 a 0 - - - 137 7.820 3.296 118.720 1 T 9.274e+05 0.00e+00 a 0 - - - 138 7.818 1.951 118.689 1 T 1.046e+07 0.00e+00 a 0 - - - 139 7.818 1.698 118.709 1 T 4.198e+06 0.00e+00 a 0 - - - 140 7.820 1.533 118.719 1 T 2.269e+06 0.00e+00 a 0 - - - 141 7.818 0.914 118.688 1 T 2.182e+06 0.00e+00 a 0 - - - 142 7.818 0.753 118.724 1 T 1.102e+06 0.00e+00 a 0 - - - 143 7.827 0.347 118.524 1 T 6.642e+05 0.00e+00 a 0 - - - 144 8.027 3.136 118.684 1 T 1.917e+06 0.00e+00 a 0 - - - 146 8.023 7.315 118.648 1 T 9.456e+05 0.00e+00 a 0 - - - 148 8.026 7.807 118.832 1 T 4.183e+06 0.00e+00 a 0 - - - 149 8.176 2.238 120.379 1 T 4.323e+06 0.00e+00 a 0 - - - 151 8.021 4.424 118.776 1 T 3.897e+06 0.00e+00 a 0 - - - 152 7.789 0.884 120.960 1 T 3.557e+06 0.00e+00 a 0 - - - 153 7.787 1.975 120.965 1 T 5.164e+06 0.00e+00 a 0 - - - 154 7.785 2.907 121.107 1 T 1.121e+06 0.00e+00 a 0 - - - 155 7.784 3.846 121.095 1 T 3.662e+06 0.00e+00 a 0 - - - 156 7.786 4.113 120.952 1 T 4.199e+06 0.00e+00 a 0 - - - 157 7.784 4.387 120.848 1 T 3.071e+06 0.00e+00 a 0 - - - 158 7.780 5.984 121.109 1 T 8.350e+05 0.00e+00 a 0 - - - 159 7.790 8.163 120.999 1 T 1.473e+06 0.00e+00 a 0 - - - 160 8.180 8.376 120.039 1 T 2.501e+06 0.00e+00 a 0 - - - 161 8.178 7.805 120.116 1 T 1.611e+06 0.00e+00 a 0 - - - 162 8.178 7.268 120.042 1 T 6.149e+05 0.00e+00 a 0 - - - 163 8.178 1.877 120.104 1 T 5.139e+06 0.00e+00 a 0 - - - 164 8.182 1.442 120.064 1 T 1.186e+06 0.00e+00 a 0 - - - 165 8.180 0.755 120.037 1 T 3.036e+06 0.00e+00 a 0 - - - 166 8.177 0.895 120.321 1 T 1.305e+07 0.00e+00 a 0 - - - 167 8.028 3.464 122.487 1 T 1.377e+06 0.00e+00 a 0 - - - 168 8.031 1.428 122.485 1 T 2.080e+06 0.00e+00 a 0 - - - 169 8.032 1.240 122.504 1 T 2.417e+06 0.00e+00 a 0 - - - 170 8.032 0.830 122.505 1 T 3.787e+06 0.00e+00 a 0 - - - 171 8.031 1.078 122.463 1 T 1.329e+06 0.00e+00 a 0 - - - 172 8.438 0.333 105.237 1 T 6.372e+05 0.00e+00 a 0 - - - 173 8.434 0.885 105.243 1 T 2.475e+06 0.00e+00 a 0 - - - 174 8.434 1.092 105.232 1 T 9.431e+05 0.00e+00 a 0 - - - 175 8.427 1.579 105.174 1 T 9.961e+05 0.00e+00 a 0 - - - 176 8.427 2.006 105.197 1 T 6.468e+05 0.00e+00 a 0 - - - 178 8.429 3.889 105.296 1 T 7.189e+05 0.00e+00 a 0 - - - 181 8.434 8.109 105.241 1 T 1.777e+06 0.00e+00 a 0 - - - 182 8.142 8.618 119.983 1 T 1.806e+06 0.00e+00 a 0 - - - 183 8.141 8.422 119.963 1 T 2.489e+06 0.00e+00 a 0 - - - 184 8.143 3.571 120.002 1 T 2.161e+06 0.00e+00 a 0 - - - 185 8.144 2.431 119.912 1 T 3.094e+06 0.00e+00 a 0 - - - 186 8.139 2.301 119.990 1 T 3.482e+06 0.00e+00 a 0 - - - 187 8.145 1.486 119.988 1 T 1.074e+06 0.00e+00 a 0 - - - 188 8.140 0.345 119.951 1 T 8.592e+05 0.00e+00 a 0 - - - 189 6.632 3.941 110.843 1 T 8.210e+05 0.00e+00 a 0 - - - 190 6.635 7.228 110.804 1 T 2.281e+07 0.00e+00 a 0 - - - 191 6.636 6.794 110.836 1 T 1.109e+06 0.00e+00 a 0 - - - 229 8.407 8.166 121.435 1 T 1.617e+06 0.00e+00 a 0 - - - 230 8.171 8.417 119.189 1 T 2.085e+06 0.00e+00 a 0 - - - 231 8.171 7.870 119.111 1 T 2.175e+06 0.00e+00 a 0 - - - 232 8.174 3.493 119.137 1 T 1.454e+06 0.00e+00 a 0 - - - 233 8.170 3.152 119.128 1 T 4.845e+06 0.00e+00 a 0 - - - 234 8.168 2.014 119.186 1 T 3.445e+06 0.00e+00 a 0 - - - 235 8.167 0.725 119.132 1 T 2.009e+06 0.00e+00 a 0 - - - 236 8.169 0.348 119.048 1 T 1.025e+06 0.00e+00 a 0 - - - 237 8.161 0.307 119.108 1 T 1.080e+06 0.00e+00 a 0 - - - 238 7.873 0.934 118.740 1 T 1.681e+06 0.00e+00 a 0 - - - 239 7.876 0.396 118.876 1 T 8.158e+05 0.00e+00 a 0 - - - 240 7.871 1.067 118.835 1 T 1.006e+06 0.00e+00 a 0 - - - 241 7.870 1.927 118.719 1 T 1.059e+07 0.00e+00 a 0 - - - 242 7.870 3.151 118.728 1 T 3.709e+06 0.00e+00 a 0 - - - 243 7.872 3.496 118.799 1 T 7.250e+05 0.00e+00 a 0 - - - 244 7.872 3.943 118.778 1 T 2.914e+06 0.00e+00 a 0 - - - 246 7.871 6.746 118.722 1 T 8.783e+05 0.00e+00 a 0 - - - 247 7.869 8.171 118.714 1 T 2.070e+06 0.00e+00 a 0 - - - 248 7.869 8.416 118.708 1 T 3.191e+06 0.00e+00 a 0 - - - 249 7.872 8.537 118.893 1 T 1.336e+06 0.00e+00 a 0 - - - 250 8.419 8.567 117.907 1 T 2.659e+06 0.00e+00 a 0 - - - 251 8.419 7.869 117.889 1 T 2.530e+06 0.00e+00 a 0 - - - 252 8.418 3.672 117.886 1 T 1.920e+06 0.00e+00 a 0 - - - 253 8.420 3.481 117.897 1 T 1.089e+06 0.00e+00 a 0 - - - 254 8.420 3.196 117.913 1 T 1.143e+06 0.00e+00 a 0 - - - 255 8.418 3.102 117.884 1 T 1.348e+06 0.00e+00 a 0 - - - 256 8.419 1.920 117.881 1 T 9.314e+06 0.00e+00 a 0 - - - 257 8.419 1.705 117.885 1 T 2.302e+06 0.00e+00 a 0 - - - 258 8.418 1.398 117.995 1 T 1.139e+06 0.00e+00 a 0 - - - 259 8.418 0.943 117.864 1 T 1.424e+06 0.00e+00 a 0 - - - 260 8.424 1.073 117.880 1 T 6.735e+05 0.00e+00 a 0 - - - 261 8.421 0.817 117.978 1 T 8.723e+05 0.00e+00 a 0 - - - 262 8.562 1.925 118.608 1 T 4.350e+06 0.00e+00 a 0 - - - 264 8.560 2.596 118.561 1 T 4.683e+06 0.00e+00 a 0 - - - 265 8.560 3.107 118.549 1 T 3.148e+06 0.00e+00 a 0 - - - 266 8.561 7.196 118.571 1 T 7.125e+05 0.00e+00 a 0 - - - 267 8.562 7.567 118.570 1 T 1.884e+06 0.00e+00 a 0 - - - 268 7.573 8.558 118.015 1 T 1.980e+06 0.00e+00 a 0 - 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- - 1551 7.597 2.170 112.207 1 T 2.079e+06 0.00e+00 a 0 - - - 1552 7.599 4.137 112.220 1 T 1.404e+06 0.00e+00 a 0 - - - 1554 7.596 6.932 112.242 1 T 7.066e+07 0.00e+00 a 0 - - - 1555 8.491 7.966 123.277 1 T 5.990e+05 0.00e+00 a 0 - - - 1556 8.518 2.386 123.275 1 T 6.697e+05 0.00e+00 a 0 - - - 1557 8.515 1.455 123.337 1 T 1.387e+06 0.00e+00 a 0 - - - 1558 8.446 7.030 122.887 1 T 1.000e+06 0.00e+00 a 0 - - - 1559 8.412 7.003 122.814 1 T 6.317e+05 0.00e+00 a 0 - - - 1561 8.437 4.601 122.939 1 T 2.275e+06 0.00e+00 a 0 - - - 1562 8.434 3.186 122.959 1 T 1.834e+06 0.00e+00 a 0 - - - 1563 8.392 3.156 123.002 1 T 8.461e+05 0.00e+00 a 0 - - - 1565 10.075 2.268 128.215 1 T 8.564e+05 0.00e+00 a 0 - - - 1566 10.078 0.256 128.198 1 T 6.205e+05 0.00e+00 a 0 - - - 1567 7.539 7.895 117.092 1 T 5.051e+05 0.00e+00 a 0 - - - 1568 6.987 6.742 113.558 1 T 1.204e+06 0.00e+00 a 0 - - - 1569 6.990 6.833 113.502 1 T 1.909e+06 0.00e+00 a 0 - - - 1571 7.546 0.813 119.618 1 T 6.054e+05 0.00e+00 a 0 - - - 1573 7.688 6.859 111.889 1 T 6.623e+07 0.00e+00 a 0 - - - 1575 7.695 4.157 111.851 1 T 6.040e+05 0.00e+00 a 0 - - - 1576 7.688 2.474 111.877 1 T 3.483e+06 0.00e+00 a 0 - - - 1577 7.689 2.194 111.868 1 T 1.644e+06 0.00e+00 a 0 - - - 1578 6.861 7.685 111.889 1 T 6.584e+07 0.00e+00 a 0 - - - 1580 6.859 3.851 111.880 1 T 8.999e+05 0.00e+00 a 0 - - - 1581 6.863 4.138 111.887 1 T 6.378e+05 0.00e+00 a 0 - - - 1583 9.176 1.915 121.765 1 T 7.113e+05 0.00e+00 a 0 - - - 1586 8.530 3.267 121.434 1 T 1.175e+06 0.00e+00 a 0 - - - 1587 8.533 0.860 121.414 1 T 6.942e+05 0.00e+00 a 0 - - - 1589 8.286 3.918 113.367 1 T 7.209e+05 0.00e+00 a 0 - - - 1590 7.540 6.051 113.176 1 T 4.741e+05 0.00e+00 a 0 - - - 1591 8.576 4.678 119.460 1 T 1.203e+06 0.00e+00 a 0 - - - 1592 7.814 7.558 118.742 1 T 6.035e+05 0.00e+00 a 0 - - - 1594 8.374 1.570 115.671 1 T 7.093e+05 0.00e+00 a 0 - - - 1595 8.378 1.723 115.671 1 T 1.206e+06 0.00e+00 a 0 - - - 1596 8.373 2.127 115.703 1 T 6.664e+05 0.00e+00 a 0 - - - 1597 8.376 1.078 115.735 1 T 6.522e+05 0.00e+00 a 0 - - - 1598 8.028 2.016 122.440 1 T 1.134e+06 0.00e+00 a 0 - - - 1599 8.032 8.388 122.517 1 T 3.302e+06 0.00e+00 a 0 - - - 1600 8.032 8.627 122.457 1 T 8.156e+05 0.00e+00 a 0 - - - 1601 8.430 1.729 105.262 1 T 9.891e+05 0.00e+00 a 0 - - - 1602 8.140 1.231 120.001 1 T 1.025e+06 0.00e+00 a 0 - - - 1603 8.140 3.135 120.001 1 T 8.108e+05 0.00e+00 a 0 - - - 1604 6.634 2.654 110.820 1 T 2.147e+06 0.00e+00 a 0 - - - 1605 6.634 2.298 110.809 1 T 2.780e+06 0.00e+00 a 0 - - - 1606 6.640 0.310 110.814 1 T 8.054e+05 0.00e+00 a 0 - - - 1607 6.635 0.900 110.810 1 T 3.869e+06 0.00e+00 a 0 - - - 1608 6.635 1.095 110.866 1 T 8.417e+05 0.00e+00 a 0 - - - 1609 7.232 0.300 110.871 1 T 6.598e+05 0.00e+00 a 0 - - - 1610 7.233 0.898 110.809 1 T 4.500e+06 0.00e+00 a 0 - - - 1611 7.230 3.974 110.801 1 T 1.164e+06 0.00e+00 a 0 - - - 1613 7.230 6.634 110.803 1 T 2.213e+07 0.00e+00 a 0 - - - 1614 8.621 8.139 123.223 1 T 1.663e+06 0.00e+00 a 0 - - - 1615 8.620 8.426 123.191 1 T 1.887e+06 0.00e+00 a 0 - - - 1617 8.619 1.994 123.157 1 T 1.463e+06 0.00e+00 a 0 - - - 1618 8.621 1.077 123.213 1 T 3.710e+06 0.00e+00 a 0 - - - 1619 8.621 0.941 123.230 1 T 2.472e+06 0.00e+00 a 0 - - - 1621 8.409 3.652 121.401 1 T 9.476e+05 0.00e+00 a 0 - - - 1622 8.411 2.362 121.396 1 T 1.681e+06 0.00e+00 a 0 - - - 1623 8.410 2.014 121.440 1 T 2.883e+06 0.00e+00 a 0 - - - 1624 8.409 0.844 121.400 1 T 4.378e+06 0.00e+00 a 0 - - - 1625 8.403 0.365 121.505 1 T 5.284e+05 0.00e+00 a 0 - - - 1626 8.168 8.631 119.131 1 T 7.509e+05 0.00e+00 a 0 - - - 1628 10.608 3.746 120.854 1 T 5.862e+05 0.00e+00 a 0 - - - 1629 7.154 6.880 112.090 1 T 8.735e+05 0.00e+00 a 0 - - - 1631 7.153 9.323 112.052 1 T 7.641e+05 0.00e+00 a 0 - - - 1632 9.335 2.831 112.112 1 T 1.020e+06 0.00e+00 a 0 - - - 1633 8.584 2.086 119.135 1 T 2.629e+06 0.00e+00 a 0 - - - 1634 8.755 4.231 119.161 1 T 1.260e+06 0.00e+00 a 0 - - - 1636 8.420 1.260 120.847 1 T 7.210e+05 0.00e+00 a 0 - - - 1637 8.414 2.610 120.860 1 T 9.021e+05 0.00e+00 a 0 - - - 1638 8.678 0.509 121.990 1 T 7.164e+05 0.00e+00 a 0 - - - 1639 8.546 1.568 118.937 1 T 2.029e+06 0.00e+00 a 0 - - - 1640 7.779 3.440 104.714 1 T 6.343e+05 0.00e+00 a 0 - - - 1641 7.698 8.324 120.872 1 T 8.249e+05 0.00e+00 a 0 - - - 1642 7.699 8.545 120.694 1 T 8.932e+05 0.00e+00 a 0 - - - 1644 7.671 8.014 116.401 1 T 6.537e+05 0.00e+00 a 0 - - - 1645 8.015 2.329 119.567 1 T 4.942e+06 0.00e+00 a 0 - - - 1649 8.160 2.213 119.529 1 T 3.065e+06 0.00e+00 a 0 - - - 1650 9.017 0.954 119.733 1 T 9.059e+05 0.00e+00 a 0 - - - 1651 8.436 3.101 119.497 1 T 8.905e+05 0.00e+00 a 0 - - - 1654 8.847 0.962 119.424 1 T 6.247e+05 0.00e+00 a 0 - - - 1656 8.720 2.847 120.048 1 T 1.334e+06 0.00e+00 a 0 - - - 1657 8.717 2.171 120.040 1 T 1.379e+06 0.00e+00 a 0 - - - 1659 7.654 6.916 111.924 1 T 1.439e+07 0.00e+00 a 0 - - - 1660 8.516 8.847 123.535 1 T 2.696e+06 0.00e+00 a 0 - - - 1662 7.996 1.175 118.941 1 T 1.426e+06 0.00e+00 a 0 - - - 1663 7.995 3.850 122.523 1 T 7.270e+05 0.00e+00 a 0 - - - 1664 8.003 7.210 122.468 1 T 6.253e+05 0.00e+00 a 0 - - - 1665 8.124 8.384 119.061 1 T 9.298e+05 0.00e+00 a 0 - - - 1666 8.123 8.003 118.992 1 T 3.775e+06 0.00e+00 a 0 - - - 1668 8.524 1.586 115.828 1 T 6.189e+05 0.00e+00 a 0 - - - 1669 8.526 1.812 115.693 1 T 7.259e+05 0.00e+00 a 0 - - - 1670 8.526 1.089 115.775 1 T 7.177e+05 0.00e+00 a 0 - - - 1671 7.530 4.477 110.219 1 T 5.991e+05 0.00e+00 a 0 - - - 1672 8.085 0.831 105.499 1 T 1.058e+06 0.00e+00 a 0 - - - 1673 8.403 2.449 120.466 1 T 1.655e+06 0.00e+00 a 0 - - - 1674 8.403 8.129 120.470 1 T 2.182e+06 0.00e+00 a 0 - - - 1676 7.929 0.787 119.330 1 T 8.133e+05 0.00e+00 a 0 - - - 1678 8.250 0.953 115.964 1 T 5.946e+05 0.00e+00 a 0 - - - 1679 8.252 4.532 115.999 1 T 6.408e+05 0.00e+00 a 0 - - - 1680 8.251 7.299 115.832 1 T 8.871e+05 0.00e+00 a 0 - - - 1681 7.538 4.020 113.103 1 T 9.426e+05 0.00e+00 a 0 - - - 1684 8.584 7.691 118.026 1 T 5.658e+05 0.00e+00 a 0 - - - 1685 8.337 7.133 122.897 1 T 6.884e+05 0.00e+00 a 0 - - - 1687 9.048 2.705 118.576 1 T 4.948e+05 0.00e+00 a 0 - - - 1688 8.531 0.767 121.863 1 T 8.235e+05 0.00e+00 a 0 - - - 1689 8.774 8.523 122.228 1 T 1.438e+06 0.00e+00 a 0 - - - 1690 8.774 8.024 122.243 1 T 2.583e+06 0.00e+00 a 0 - - - 1691 8.773 7.212 122.284 1 T 7.764e+05 0.00e+00 a 0 - - - 1692 8.773 6.960 122.231 1 T 1.921e+06 0.00e+00 a 0 - - - 1693 8.773 2.361 122.271 1 T 2.056e+06 0.00e+00 a 0 - - - 1695 7.005 4.416 116.485 1 T 5.879e+05 0.00e+00 a 0 - - - 1696 8.488 3.285 119.520 1 T 5.123e+05 0.00e+00 a 0 - - - 1697 7.257 2.077 118.198 1 T 6.822e+05 0.00e+00 a 0 - - - 1698 7.254 1.119 111.094 1 T 9.434e+05 0.00e+00 a 0 - - - 1699 7.257 1.643 111.107 1 T 6.747e+05 0.00e+00 a 0 - - - 1700 8.143 2.524 117.779 1 T 7.708e+05 0.00e+00 a 0 - - - 1701 7.359 2.546 113.159 1 T 8.563e+05 0.00e+00 a 0 - - - 1702 8.119 1.418 120.273 1 T 1.506e+06 0.00e+00 a 0 - - - 1703 8.118 4.164 120.286 1 T 1.893e+06 0.00e+00 a 0 - - - 1704 7.409 6.693 111.989 1 T 3.032e+07 0.00e+00 a 0 - - - 1705 7.408 2.038 111.923 1 T 7.139e+05 0.00e+00 a 0 - - - 1706 8.412 0.941 122.993 1 T 8.068e+05 0.00e+00 a 0 - - - 1708 7.538 1.984 117.061 1 T 8.472e+05 0.00e+00 a 0 - - - 1711 8.897 7.526 121.086 1 T 5.801e+05 0.00e+00 a 0 - - - 1712 8.901 9.923 121.094 1 T 4.641e+05 0.00e+00 a 0 - - - 1713 8.534 7.184 121.558 1 T 8.225e+05 0.00e+00 a 0 - - - 1715 7.598 3.082 112.068 1 T 7.553e+05 0.00e+00 a 0 - - - 1716 8.175 7.724 121.952 1 T 6.223e+05 0.00e+00 a 0 - - - ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 18.0 ppm . . . 4.85 . . 34604 1 2 . . H 1 H . . 12.0 ppm . . . 4.85 . . 34604 1 3 . . N 15 N . . 29.5 ppm . . . 117.65 . . 34604 1 stop_ save_