######################### # 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 34239 _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.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 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 1 2.192 120.966 8.383 1 U 2.54e+08 0 e 0 132 142 141 2 3.997 120.996 8.412 1 U 1.1e+09 0 e 0 131 142 141 3 2.077 121.030 8.398 1 U 1.3e+09 0 e 0 139 142 141 4 4.502 120.005 8.009 1 U 5.61e+07 0 e 0 93 101 100 5 3.856 120.005 7.999 1 U 2.13e+10 0 e 0 98 101 100 6 2.740 120.005 7.999 1 U 3.06e+08 0 e 0 96 101 100 7 1.918 120.005 8.004 1 U 9.87e+08 0 e 0 99 101 100 8 1.080 120.005 7.995 1 U 3.58e+08 0 e 0 102 101 100 9 0.894 120.005 7.999 1 U 6.62e+08 0 e 0 103 101 100 10 2.131 121.036 8.394 1 U 2.66e+09 0 e 0 109 108 107 11 4.036 117.374 8.215 1 U 1.96e+08 0 e 0 106 114 113 12 4.133 117.374 8.215 1 U 4.97e+10 0 e 0 112 114 113 13 2.131 117.374 8.225 1 U 1.26e+09 0 e 0 115 114 113 14 2.114 117.374 8.225 1 U 5.08e+08 0 e 0 109 114 113 15 4.141 116.907 8.120 1 U 1.74e+09 0 e 0 112 120 119 16 2.106 116.907 8.125 1 U 2.55e+08 0 e 0 115 120 119 17 2.789 116.907 8.129 1 U 7.6e+08 0 e 0 121 120 119 18 4.658 116.907 8.129 1 U 8.65e+08 0 e 0 118 120 119 19 2.816 118.270 8.238 1 U 2.28e+08 0 e 0 121 128 127 20 4.763 118.270 8.238 1 U 2.65e+09 0 e 0 124 128 127 21 4.662 118.270 8.233 1 U -2.91e+08 0 e 0 118 128 127 22 4.750 119.108 8.044 1 U 1.04e+09 0 e 0 124 134 133 23 2.881 119.108 8.049 1 U 1.36e+08 0 e 0 125 134 133 24 2.756 119.108 8.049 1 U 1.85e+08 0 e 0 126 134 133 25 4.082 119.108 8.049 1 U 4.84e+10 0 e 0 131 134 133 26 2.157 119.108 8.053 1 U 1.45e+09 0 e 0 132 134 133 27 0.969 119.088 8.050 1 U 1.46e+09 0 e 0 135 134 133 28 2.013 121.047 8.399 1 U 2e+09 0 e 0 140 142 141 29 0.928 121.047 8.394 1 U 9.92e+08 0 e 0 135 142 141 30 4.240 120.603 8.309 1 U 5.44e+08 0 e 0 146 145 144 31 4.332 113.124 8.098 1 U 1.42e+09 0 e 0 156 159 158 32 4.730 113.124 8.098 1 U 1.38e+09 0 e 0 157 159 158 33 3.967 121.807 8.430 1 U -1.15e+08 0 e 0 163 162 161 34 4.024 120.131 8.160 1 U 1.91e+09 0 e 0 165 168 167 35 1.916 120.107 8.161 1 U 8.69e+08 0 e 0 166 168 167 36 1.468 120.107 8.156 1 U 4.66e+08 0 e 0 169 168 167 37 0.901 120.107 8.156 1 U 4.36e+08 0 e 0 170 168 167 38 4.728 121.807 8.426 1 U 5.24e+09 0 e 0 157 162 161 39 4.736 120.107 8.156 1 U 7.42e+08 0 e 0 157 168 167 40 4.221 119.401 7.774 1 U 2.13e+06 0 e 0 14 22 21 41 4.671 119.348 7.777 1 U 1.4e+10 0 e 0 20 22 21 42 2.834 119.308 7.793 1 U 1.62e+10 0 e 0 23 22 21 43 4.019 120.140 7.741 1 U 2.63e+09 0 e 0 25 27 26 44 4.604 120.173 7.738 1 U 3.05e+09 0 e 0 20 27 26 45 2.822 120.173 7.738 1 U 3.01e+08 0 e 0 23 27 26 46 1.675 120.156 7.743 1 U 5.48e+07 0 e 0 28 27 26 47 0.903 120.173 7.738 1 U 5.09e+08 0 e 0 29 27 26 48 3.822 117.845 8.340 1 U 1.25e+09 0 e 0 32 34 33 49 2.154 117.845 8.336 1 U 3.07e+08 0 e 0 35 34 33 50 4.008 117.845 8.345 1 U 1.42e+09 0 e 0 25 34 33 51 2.254 117.845 8.345 1 U 1.58e+09 0 e 0 41 34 33 52 1.679 117.845 8.345 1 U 4.57e+07 0 e 0 28 34 33 53 4.133 117.204 7.932 1 U 7.85e+08 0 e 0 38 40 39 54 3.804 117.204 7.931 1 U 6.11e+08 0 e 0 32 40 39 55 2.236 117.204 7.931 1 U 2.57e+09 0 e 0 41 40 39 56 4.061 118.647 7.928 1 U 2.58e+09 0 e 0 38 45 44 57 4.175 118.647 7.928 1 U -3.78e+08 0 e 0 43 45 44 58 2.227 118.647 7.923 1 U 1.11e+08 0 e 0 41 45 44 59 1.984 118.647 7.913 1 U 1.49e+08 0 e 0 46 45 44 60 1.794 118.647 7.928 1 U 1.6e+08 0 e 0 47 45 44 61 1.590 118.647 7.923 1 U 1.79e+07 0 e 0 48 45 44 62 2.760 119.410 7.721 1 U 3.47e+09 0 e 0 96 95 94 63 1.643 119.410 7.725 1 U 5.99e+08 0 e 0 89 95 94 64 3.940 119.410 7.726 1 U 1.78e+09 0 e 0 86 95 94 65 4.518 119.410 7.725 1 U 9.93e+09 0 e 0 93 95 94 66 3.866 121.030 8.390 1 U 4.38e+08 0 e 0 98 108 107 67 4.761 116.907 8.130 1 U 3.32e+08 0 e 0 124 120 119 68 2.109 119.108 8.044 1 U 2.03e+08 0 e 0 139 134 133 69 2.213 121.047 8.394 1 U 1.98e+09 0 e 0 132 142 141 70 4.106 121.047 8.400 1 U -5.62e+07 0 e 0 106 108 107 71 4.294 121.047 8.403 1 U 4.68e+09 0 e 0 138 142 141 72 3.989 121.698 8.427 1 U -1.13e+08 0 e 0 165 177 176 73 4.113 121.698 8.417 1 U 3.65e+10 0 e 0 173 177 176 74 4.249 118.511 8.144 1 U 1.19e+10 0 e 0 181 183 182 75 2.084 121.698 8.412 1 U 1e+10 0 e 0 174 177 176 76 2.084 118.241 8.157 1 U 1.81e+10 0 e 0 184 183 182 77 2.050 119.858 7.872 1 U -4.93e+08 0 e 0 184 188 187 78 0.845 119.858 7.883 1 U 6.7e+08 0 e 0 190 188 187 79 1.718 119.858 7.891 1 U 9.91e+09 0 e 0 189 188 187 80 3.856 119.396 8.412 1 U 5.96e+08 0 e 0 213 215 214 81 2.074 119.396 8.412 1 U 1.28e+09 0 e 0 216 215 214 82 2.097 118.455 8.151 1 U 1.81e+10 0 e 0 216 223 222 83 2.435 118.455 8.142 1 U 2.29e+09 0 e 0 221 223 222 84 2.673 118.455 8.128 1 U -1.36e+06 0 e 0 220 223 222 85 4.311 118.455 8.139 1 U -2.82e+06 0 e 0 219 223 222 86 4.322 121.040 7.936 1 U -1.15e+08 0 e 0 228 233 232 87 4.379 121.040 7.941 1 U 2.79e+09 0 e 0 219 233 232 88 3.552 121.040 7.941 1 U 2.88e+09 0 e 0 229 233 232 89 3.290 121.040 7.936 1 U 5.8e+08 0 e 0 230 233 232 90 2.673 121.040 7.936 1 U 1.17e+09 0 e 0 220 233 232 91 2.098 121.040 7.936 1 U 4.84e+08 0 e 0 221 233 232 92 2.131 118.517 8.277 1 U 2.91e+06 0 e 0 238 240 239 93 1.015 118.517 8.277 1 U 7.2e+08 0 e 0 241 240 239 94 0.919 118.517 8.282 1 U 2.84e+09 0 e 0 242 240 239 95 3.642 118.517 8.268 1 U 2.7e+09 0 e 0 237 240 239 96 4.109 117.946 8.094 1 U 1.84e+07 0 e 0 59 67 66 97 3.994 117.946 8.089 1 U -2.92e+06 0 e 0 65 67 66 98 3.197 117.946 8.094 1 U 6.08e+08 0 e 0 62 67 66 99 2.289 117.946 8.089 1 U 1.83e+09 0 e 0 69 67 66 100 2.049 117.946 8.089 1 U -1.88e+06 0 e 0 68 67 66 101 3.191 117.710 8.196 1 U 2.49e+09 0 e 0 62 61 60 102 4.087 117.710 8.197 1 U 4.56e+10 0 e 0 59 61 60 ##103 2.150 117.710 8.220 1 U 1.94e+10 0 e 0 68 61 60 104 4.113 118.490 8.372 1 U -2.07e+09 0 e 0 59 53 52 105 4.203 118.490 8.367 1 U -7.84e+08 0 e 0 51 53 52 106 3.124 118.490 8.363 1 U 2.37e+08 0 e 0 54 53 52 107 1.979 118.490 8.367 1 U 8.64e+08 0 e 0 46 53 52 108 3.647 118.536 8.488 1 U 3.63e+09 0 e 0 256 259 258 109 2.103 118.536 8.488 1 U 9.46e+08 0 e 0 257 259 258 110 1.005 118.536 8.497 1 U 5.77e+08 0 e 0 261 259 258 111 3.856 116.070 8.065 1 U 3.97e+09 0 e 0 265 264 263 112 2.103 116.070 8.079 1 U 6.8e+08 0 e 0 257 264 263 113 3.809 116.736 7.586 1 U 4.99e+09 0 e 0 265 272 271 114 4.825 116.736 7.582 1 U 6.1e+08 0 e 0 268 272 271 115 2.782 116.736 7.582 1 U 8.46e+08 0 e 0 269 272 271 116 2.659 116.736 7.586 1 U 7.49e+08 0 e 0 270 272 271 117 3.773 121.075 7.801 1 U 5.31e+09 0 e 0 274 277 276 118 2.101 121.075 7.787 1 U 1.45e+09 0 e 0 275 277 276 119 1.668 121.075 7.796 1 U 7.78e+08 0 e 0 279 277 276 120 0.875 121.075 7.782 1 U 1.22e+09 0 e 0 278 277 276 121 1.843 116.451 7.730 1 U 6.14e+08 0 e 0 300 299 298 122 0.895 116.451 7.734 1 U 3.2e+08 0 e 0 301 299 298 123 4.266 119.875 7.950 1 U 5.64e+09 0 e 0 289 293 292 124 3.983 119.875 7.931 1 U 6.28e+09 0 e 0 283 293 292 125 3.128 119.875 7.955 1 U 1.52e+09 0 e 0 294 293 292 126 2.031 119.875 7.936 1 U 1.63e+10 0 e 0 286 293 292 ##127 1.873 119.875 7.950 1 U 1.02e+09 0 e 0 300 293 292 128 3.988 119.481 7.927 1 U 3.33e+10 0 e 0 283 285 284 129 3.848 119.481 7.931 1 U -1.76e+04 0 e 0 280 285 284 130 3.114 119.481 7.945 1 U 1.8e+09 0 e 0 294 285 284 131 2.027 119.481 7.941 1 U 1.82e+10 0 e 0 286 285 284 132 4.361 119.909 7.872 1 U 2.43e+09 0 e 0 186 188 187 133 3.420 120.029 7.865 1 U 8.84e+09 0 e 0 254 252 251 ##134 1.943 120.029 7.860 1 U 1.91e+10 0 e 0 257 252 251 135 3.950 120.200 7.936 1 U -7.35e+06 0 e 0 65 74 73 136 1.871 120.200 7.932 1 U -5.1e+07 0 e 0 72 74 73 137 1.550 120.200 7.923 1 U -5.35e+05 0 e 0 76 74 73 138 0.793 120.200 7.927 1 U 1.59e+08 0 e 0 75 74 73 139 1.913 118.352 7.819 1 U 1.05e+09 0 e 0 79 81 80 140 1.151 118.352 7.838 1 U 1.65e+09 0 e 0 83 81 80 141 0.835 118.352 7.828 1 U 8.54e+08 0 e 0 82 81 80 142 1.011 118.352 7.828 1 U -1.08e+07 0 e 0 84 81 80 143 3.790 118.352 7.828 1 U -1.72e+06 0 e 0 78 81 80 144 1.638 120.132 7.936 1 U 1.92e+10 0 e 0 89 88 87 145 0.801 120.132 7.920 1 U 2.73e+08 0 e 0 90 88 87 146 3.985 120.132 7.941 1 U 5.55e+06 0 e 0 86 88 87 147 1.833 116.127 7.604 1 U 5.59e+09 0 e 0 203 202 201 148 1.832 119.190 7.790 1 U 7.57e+10 0 e 0 194 196 195 149 1.839 120.996 8.407 1 U 4.53e+08 0 e 0 17 16 15 150 7.924 120.996 8.391 1 U 4.04e+08 0 e 0 232 215 214 151 7.985 118.536 8.359 1 U 1.35e+09 0 e 0 44 53 52 152 8.037 119.396 8.417 1 U 5.69e+06 0 e 0 207 215 214 153 8.463 119.396 7.786 1 U 4.46e+08 0 e 0 15 22 21 154 8.263 121.807 8.426 1 U 4.01e+08 0 e 0 167 162 161 155 8.294 121.698 8.412 1 U 6.35e+08 0 e 0 144 162 161 156 8.050 121.047 8.395 1 U 3.71e+08 0 e 0 133 142 141 157 7.815 121.030 7.933 1 U 3.88e+08 0 e 0 276 285 284 158 7.598 121.030 7.794 1 U 1.94e+08 0 e 0 201 196 195 159 7.912 117.840 8.341 1 U -2.68e+09 0 e 0 39 34 33 160 7.795 117.857 8.341 1 U 4.95e+09 0 e 0 21 34 33 161 7.710 117.862 8.339 1 U -2.77e+09 0 e 0 26 34 33 162 7.942 117.845 8.088 1 U 7.78e+08 0 e 0 87 67 66 163 8.349 117.920 8.216 1 U 2.43e+10 0 e 0 52 61 60 164 8.194 117.845 8.093 1 U 3.76e+10 0 e 0 60 67 66 165 8.372 117.845 8.097 1 U -2.32e+05 0 e 0 52 67 66 166 7.937 118.517 8.143 1 U 9.14e+08 0 e 0 232 223 222 167 8.389 118.517 8.143 1 U 2.14e+08 0 e 0 214 223 222 168 7.850 118.517 8.482 1 U -1.02e+09 0 e 0 251 259 258 169 8.455 118.270 8.097 1 U 8.18e+07 0 e 0 258 244 243 170 8.220 118.270 8.028 1 U 4.51e+08 0 e 0 127 134 133 171 8.072 117.710 8.201 1 U 1.19e+09 0 e 0 66 61 60 172 7.902 117.710 8.084 1 U 2.89e+08 0 e 0 73 67 66 173 7.933 117.710 8.345 1 U 1.74e+08 0 e 0 39 34 33 174 8.137 117.408 8.215 1 U 4.32e+10 0 e 0 119 114 113 175 8.011 117.408 8.210 1 U -1.45e+04 0 e 0 100 114 113 176 7.811 117.408 7.932 1 U 2.58e+08 0 e 0 26 40 39 177 7.824 118.241 7.917 1 U 2.19e+08 0 e 0 80 74 73 178 8.055 118.241 7.830 1 U 7.13e+07 0 e 0 66 81 80 179 8.389 118.241 8.160 1 U 4.6e+09 0 e 0 176 183 182 180 8.050 116.907 8.120 1 U 1.72e+09 0 e 0 100 120 119 181 8.246 116.907 8.129 1 U 2.22e+09 0 e 0 127 120 119 182 8.355 116.907 8.134 1 U -1.41e+09 0 e 0 107 120 119 183 8.472 119.108 8.048 1 U -1.72e+07 0 e 0 141 134 133 184 8.250 119.108 8.048 1 U -2.77e+07 0 e 0 127 134 133 185 8.132 119.108 8.408 1 U 9.38e+07 0 e 0 167 177 176 186 8.221 117.946 8.089 1 U 1.28e+11 0 e 0 60 67 66 187 7.930 117.946 8.336 1 U 2.19e+08 0 e 0 39 34 33 188 7.748 119.396 7.935 1 U 2.14e+08 0 e 0 94 88 87 189 7.995 119.396 7.712 1 U 2.22e+08 0 e 0 100 95 94 190 7.849 116.907 7.931 1 U 1.39e+08 0 e 0 21 40 39 191 7.610 116.070 8.065 1 U 2.98e+08 0 e 0 271 264 263 192 7.800 116.070 7.620 1 U 2.15e+08 0 e 0 195 202 201 193 7.865 118.455 8.277 1 U 9.45e+08 0 e 0 251 240 239 194 8.343 117.204 7.928 1 U 5.57e+08 0 e 0 33 40 39 #195 8.444 117.204 7.936 1 U -2.51e+08 0 e 0 53 40 39 196 8.419 117.204 8.227 1 U 1.47e+08 0 e 0 107 114 113 197 7.916 116.451 7.738 1 U 2.36e+08 0 e 0 284 299 298 198 7.934 116.451 7.564 1 U 5.37e+08 0 e 0 284 272 271 199 7.942 116.736 7.593 1 U 7.54e+08 0 e 0 284 272 271 200 8.306 116.736 8.131 1 U 1.96e+08 0 e 0 127 120 119 201 8.177 120.249 7.905 1 U -3.05e+08 0 e 0 167 188 187 202 7.780 120.107 7.999 1 U 3.69e+08 0 e 0 94 101 100 203 8.432 120.107 7.732 1 U -1.04e+09 0 e 0 107 95 94 204 4.616 120.542 8.097 1 U 1.04e+09 0 e 0 228 244 243 205 3.370 120.542 8.106 1 U 9.33e+08 0 e 0 230 244 243 206 8.032 120.542 8.094 1 U 2.33e+09 0 e 0 232 244 243 207 8.262 120.542 8.102 1 U 4.51e+08 0 e 0 239 244 243 208 8.276 120.005 7.993 1 U 6.11e+08 0 e 0 113 101 100 209 8.529 120.005 7.857 1 U 4.7e+08 0 e 0 258 252 251 210 8.355 120.005 7.739 1 U 2.35e+08 0 e 0 33 27 26 211 7.926 120.005 7.743 1 U 7.93e+08 0 e 0 39 27 26 212 7.790 119.779 8.000 1 U 4.64e+07 0 e 0 94 101 100 213 8.116 119.875 7.867 1 U 5.85e+07 0 e 0 182 188 187 214 7.694 119.875 7.869 1 U 4.71e+06 0 e 0 201 188 187 215 7.829 119.875 7.919 1 U 2.01e+11 0 e 0 298 293 292 216 7.720 119.974 7.943 1 U 1.65e+11 0 e 0 298 285 284 217 7.942 118.352 8.265 1 U 2.29e+08 0 e 0 232 240 239 218 3.398 119.410 8.421 1 U 5.84e+08 0 e 0 210 215 214 219 4.659 117.408 8.210 1 U 4.37e+08 0 e 0 118 114 113 220 2.506 117.204 7.927 1 U 6.54e+09 0 e 0 35 40 39 221 4.572 117.204 7.932 1 U 2.83e+08 0 e 0 20 40 39 222 4.124 116.451 7.734 1 U 1.78e+09 0 e 0 297 299 298 223 4.710 114.288 8.034 1 U 1.82e+08 0 e 0 205 208 207 224 1.855 113.124 8.102 1 U 4.93e+08 0 e 0 152 159 158 #225 4.716 121.698 8.425 1 U 4.02e+09 0 e 0 157 177 176 226 2.324 121.698 8.417 1 U 2.58e+06 0 e 0 174 177 176 227 0.884 121.698 8.417 1 U 9.87e+09 0 e 0 170 177 176 228 0.825 117.710 8.206 1 U 2.7e+09 0 e 0 82 61 60 229 4.045 118.352 7.828 1 U -1.62e+08 0 e 0 71 81 80 230 4.746 117.060 8.818 1 U 4.81e+08 0 e 0 3 11 10 231 8.459 119.308 7.723 1 U 2.43e+07 0 e 0 15 27 26 232 8.706 119.321 7.793 1 U 1.54e+09 0 e 0 10 22 21 233 7.899 119.408 7.746 1 U 4.61e+10 0 e 0 21 27 26 234 4.147 119.406 7.776 1 U 2.52e+09 0 e 0 38 22 21 235 4.176 119.349 7.787 1 U 6.25e+09 0 e 0 38 22 21 236 7.920 117.710 8.201 1 U -1.07e+08 0 e 0 73 61 60 237 8.276 117.204 7.923 1 U -1.04e+08 0 e 0 33 45 44 238 8.002 118.352 7.828 1 U 5.37e+08 0 e 0 87 81 80 239 8.171 120.201 7.937 1 U 1.29e+06 0 e 0 222 233 232 240 8.010 120.232 7.876 1 U 1.76e+11 0 e 0 100 88 87 241 8.242 121.047 8.395 1 U 1.46e+10 0 e 0 144 142 141 242 3.963 120.002 8.158 1 U 6.27e+09 0 e 0 163 168 167 243 8.159 121.807 8.430 1 U -5.42e+08 0 e 0 158 162 161 244 7.822 119.909 7.862 1 U -3.24e+07 0 e 0 195 188 187 245 7.946 120.542 8.098 1 U -1.88e+08 0 e 0 251 244 243 246 7.824 116.736 7.585 1 U 9.98e+08 0 e 0 276 272 271 247 8.129 119.875 7.949 1 U 1.61e+11 0 e 0 284 293 292 248 4.201 117.710 8.201 1 U 1.07e+07 0 e 0 51 61 60 249 3.849 120.132 7.945 1 U 6.96e+09 0 e 0 78 88 87 250 4.106 120.072 8.160 1 U 8.02e+08 0 e 0 149 151 150 251 3.936 120.072 8.155 1 U -3.63e+07 0 e 0 146 151 150 252 4.380 121.807 8.435 1 U 5.03e+10 0 e 0 156 162 161 253 4.114 118.241 8.165 1 U 1.18e+04 0 e 0 173 183 182 254 4.253 119.909 7.869 1 U 3.84e+09 0 e 0 181 188 187 255 4.670 119.293 7.797 1 U 3.71e+09 0 e 0 192 196 195 256 4.297 119.293 7.802 1 U 3.01e+08 0 e 0 186 196 195 257 1.918 119.293 7.801 1 U -7.18e+09 0 e 0 193 196 195 258 4.202 116.127 7.600 1 U 3.64e+08 0 e 0 200 202 201 259 4.119 116.127 7.621 1 U 4.12e+08 0 e 0 192 202 201 260 4.297 118.517 8.282 1 U 2.61e+08 0 e 0 228 240 239 261 4.071 120.029 7.863 1 U 1e+10 0 e 0 245 252 251 262 4.320 118.536 8.480 1 U 1.27e+08 0 e 0 247 259 258 263 3.654 116.070 8.063 1 U 3.63e+05 0 e 0 256 264 263 264 3.884 117.408 8.206 1 U 1.1e+06 0 e 0 98 114 113 265 8.389 118.270 8.258 1 U 1.39e+09 0 e 0 141 128 127 266 8.350 120.072 8.007 1 U 1.06e+09 0 e 0 107 101 100 267 8.350 119.108 8.044 1 U -4.89e+08 0 e 0 144 134 133 268 4.047 120.634 8.309 1 U -2.69e+09 0 e 0 131 145 144 269 4.227 120.072 8.155 1 U -1.06e+10 0 e 0 138 151 150 270 4.514 117.408 8.215 1 U 1.14e+08 0 e 0 93 114 113 271 3.940 116.907 8.120 1 U 6.18e+08 0 e 0 98 120 119 272 4.214 120.200 7.923 1 U 2.89e+10 0 e 0 51 74 73 273 4.145 118.352 7.824 1 U 6.35e+08 0 e 0 59 81 80 274 4.070 120.132 7.940 1 U 9.53e+09 0 e 0 65 88 87 275 3.905 121.075 7.780 1 U 1.85e+09 0 e 0 265 277 276 276 3.758 119.481 7.927 1 U 2.1e+10 0 e 0 274 285 284 277 3.758 119.875 7.936 1 U 1.08e+10 0 e 0 274 293 292 278 4.845 121.075 7.780 1 U 1.09e+09 0 e 0 268 277 276 279 4.240 116.451 7.734 1 U 4.98e+07 0 e 0 289 299 298 280 4.158 118.490 8.372 1 U 6.28e+09 0 e 0 43 53 52 281 4.019 118.647 7.931 1 U -2.06e+07 0 e 0 25 45 44 282 4.245 117.845 8.332 1 U 3.48e+06 0 e 0 14 34 33 283 8.359 117.946 8.089 1 U -3.02e+08 0 e 0 52 67 66 284 7.950 120.200 7.883 1 U 5.99e+08 0 e 0 87 74 73 285 4.210 117.946 8.093 1 U 4.53e+10 0 e 0 51 67 66 286 4.104 120.200 7.927 1 U 8.03e+09 0 e 0 59 74 73 287 3.951 118.352 7.828 1 U 1.41e+09 0 e 0 65 81 80 288 4.009 120.132 7.953 1 U 9.57e+09 0 e 0 71 88 87 289 4.480 120.173 7.752 1 U 1.09e+08 0 e 0 8 27 26 290 4.010 120.005 8.003 1 U -1.29e+08 0 e 0 86 101 100 291 4.066 120.072 8.155 1 U -1.12e+09 0 e 0 131 151 150 292 4.245 113.124 8.098 1 U 1.19e+08 0 e 0 138 159 158 293 4.380 117.845 8.336 1 U 3.48e+09 0 e 0 8 34 33 294 4.262 117.204 7.940 1 U -6.97e+05 0 e 0 14 40 39 295 4.727 118.647 7.914 1 U 1.37e+08 0 e 0 20 45 44 296 3.589 118.536 8.490 1 U -1.28e+05 0 e 0 237 259 258 297 4.402 118.536 8.473 1 U 2.43e+08 0 e 0 245 259 258 298 4.049 116.070 8.076 1 U 7.96e+08 0 e 0 245 264 263 299 8.072 120.029 7.846 1 U -2.24e+05 0 e 0 263 252 251 300 4.027 118.241 8.162 1 U 2.54e+10 0 e 0 165 183 182 301 4.136 119.909 7.874 1 U -1.33e+08 0 e 0 173 188 187 302 4.197 119.293 7.788 1 U 7.53e+09 0 e 0 181 196 195 303 7.868 119.293 8.032 1 U 3.93e+08 0 e 0 195 208 207 304 3.933 121.698 8.421 1 U 2.09e+10 0 e 0 163 177 176 305 4.071 116.907 8.120 1 U -6.65e+06 0 e 0 106 120 119 306 4.423 113.124 8.098 1 U 3.44e+08 0 e 0 146 159 158 307 3.997 119.909 7.865 1 U 1.05e+08 0 e 0 165 188 187 308 4.101 119.293 7.788 1 U 9.93e+09 0 e 0 173 196 195 309 4.166 118.455 8.147 1 U -3.98e+06 0 e 0 200 223 222 310 4.697 118.455 8.143 1 U 4.21e+10 0 e 0 205 223 222 311 3.649 121.075 7.784 1 U 3.72e+09 0 e 0 256 277 276 312 4.732 120.634 8.309 1 U 5.64e+08 0 e 0 124 145 144 313 1.866 119.410 7.799 1 U 3.12e+07 0 e 0 17 22 21 314 1.770 119.410 7.729 1 U 1.62e+10 0 e 0 89 95 94 315 2.831 119.410 7.790 1 U 1.21e+09 0 e 0 23 22 21 ##316 3.092 118.647 7.936 1 U 1.82e+08 0 e 0 54 45 44 317 0.961 118.270 8.267 1 U 6.35e+08 0 e 0 135 128 127 318 0.952 117.845 8.340 1 U 2.6e+08 0 e 0 29 34 33 ##319 0.944 118.455 8.152 1 U 1.81e+09 0 e 0 242 223 222 320 4.122 121.807 8.430 1 U 1.22e+10 0 e 0 149 162 161 321 7.589 121.075 7.793 1 U 2.16e+08 0 e 0 271 277 276 322 7.920 120.173 7.747 1 U 7e+08 0 e 0 44 27 26 323 8.398 120.005 8.007 1 U 2.51e+08 0 e 0 107 101 100 324 3.788 119.410 7.729 1 U 9.16e+08 0 e 0 78 95 94 325 3.797 118.517 8.278 1 U 7.85e+08 0 e 0 213 240 239 326 7.894 118.455 8.143 1 U 6.17e+08 0 e 0 187 183 182 327 1.848 118.455 8.143 1 U 2.14e+05 0 e 0 203 223 222 328 2.153 118.270 8.249 1 U 1.38e+10 0 e 0 115 128 127 329 7.829 118.270 8.154 1 U 4.91e+08 0 e 0 195 183 182 330 8.511 117.845 8.340 1 U 3.34e+08 0 e 0 10 34 33 331 1.822 117.845 8.332 1 U 2.75e+08 0 e 0 47 34 33 332 1.544 117.845 8.340 1 U 7.67e+07 0 e 0 48 34 33 ##333 1.900 117.946 8.089 1 U 4.19e+07 0 e 0 72 67 66 ##334 2.588 117.946 8.089 1 U 7.94e+08 0 e 0 96 67 66 335 2.261 117.408 8.232 1 U 1.22e+09 0 e 0 132 114 113 ##336 2.080 117.204 7.927 1 U 1.87e+09 0 e 0 68 40 39 337 2.385 117.204 7.936 1 U 1.72e+09 0 e 0 69 40 39 338 2.897 116.907 8.125 1 U 8.25e+08 0 e 0 125 120 119 339 0.981 116.070 8.071 1 U 5.32e+08 0 e 0 261 264 263 340 0.914 116.665 7.583 1 U 0 0 - 0 278 272 271 341 3.672 116.736 7.594 1 U 1.44e+09 0 e 0 256 272 271 #342 1.259 113.124 8.098 1 U 2.26e+08 0 e 0 169 159 158 343 0.922 120.996 8.391 1 U 2.77e+09 0 e 0 29 16 15 344 4.227 120.996 8.387 1 U 1.37e+10 0 e 0 14 16 15 345 3.400 119.875 7.867 1 U 1.39e+09 0 e 0 210 188 187 ##346 2.190 119.396 8.412 1 U 1.21e+09 0 e 0 221 215 214 347 4.565 119.396 8.412 1 U 1.52e+08 0 e 0 192 215 214 348 7.811 116.127 7.621 1 U 1.82e+08 0 e 0 195 202 201 349 2.035 118.352 7.828 1 U 1.2e+08 0 e 0 68 81 80 350 1.557 120.029 7.916 1 U 3.73e+09 0 e 0 76 74 73 ##351 1.809 120.029 7.742 1 U 5.03e+09 0 e 0 152 145 144 352 0.965 120.029 7.742 1 U 1.17e+09 0 e 0 135 145 144 ##353 0.904 119.481 7.931 1 U 5.56e+08 0 e 0 301 285 284 ##354 1.870 119.481 7.936 1 U 1.9e+10 0 e 0 300 285 284 355 4.401 120.542 8.089 1 U 8.62e+08 0 e 0 245 244 243 356 8.389 117.204 7.932 1 U 4.44e+08 0 e 0 52 40 39 357 8.194 118.647 7.923 1 U 1.94e+08 0 e 0 60 45 44 358 7.946 117.710 8.193 1 U 8.84e+07 0 e 0 44 61 60 359 7.933 118.490 8.372 1 U 4.71e+08 0 e 0 39 53 52 360 3.832 118.490 8.376 1 U 4.16e+08 0 e 0 32 53 52 361 7.824 119.410 7.729 1 U 4.48e+10 0 e 0 80 95 94 362 4.088 119.410 7.721 1 U 2.71e+09 0 e 0 71 95 94 363 4.662 119.108 8.044 1 U 9.84e+08 0 e 0 118 134 133 364 8.111 121.807 8.417 1 U 8.84e+07 0 e 0 150 162 161 365 8.333 121.807 8.422 1 U 8.69e+08 0 e 0 144 162 161 366 8.111 120.107 8.165 1 U 1.07e+09 0 e 0 150 168 167 367 4.140 117.710 8.206 1 U 1.05e+10 0 e 0 38 61 60 368 4.166 117.946 8.085 1 U 1.32e+10 0 e 0 43 67 66 369 4.040 121.030 8.394 1 U 9.98e+09 0 e 0 86 108 107 370 4.649 121.047 8.403 1 U 7.93e+09 0 e 0 118 142 141 371 4.266 121.807 8.430 1 U 1.23e+10 0 e 0 146 162 161 372 4.310 120.542 8.089 1 U 1.8e+08 0 e 0 219 244 243 373 8.163 119.108 8.057 1 U 2.6e+09 0 e 0 119 134 133 374 8.089 120.107 8.156 1 U 8.87e+08 0 e 0 158 168 167 375 8.403 121.807 8.426 1 U 1.14e+09 0 e 0 176 162 161 376 8.163 120.107 8.156 1 U 1.93e+09 0 e 0 167 183 182 377 8.403 119.909 7.865 1 U 2.71e+08 0 e 0 176 188 187 378 4.662 114.257 8.026 1 U 5.44e+08 0 e 0 192 208 207 379 8.020 118.455 8.139 1 U 2.07e+09 0 e 0 207 223 222 380 3.866 121.040 7.945 1 U 5.63e+08 0 e 0 213 233 232 381 8.142 118.517 8.269 1 U 1.04e+09 0 e 0 222 240 239 382 4.027 116.451 7.730 1 U 3.3e+08 0 e 0 283 299 298 383 1.800 120.173 7.738 1 U 1.48e+09 0 e 0 47 27 26 ##384 2.274 120.173 7.738 1 U 1.22e+08 0 e 0 35 27 26 385 0.796 120.005 7.916 1 U 2.72e+09 0 e 0 75 74 73 386 4.275 120.005 7.873 1 U 6.07e+09 0 e 0 247 252 251 387 0.813 119.410 7.729 1 U 1.99e+08 0 e 0 90 95 94 388 4.749 120.996 8.413 1 U 9.94e+08 0 e 0 3 16 15 389 4.610 119.410 7.799 1 U 3.62e+09 0 e 0 20 22 21 390 0.922 118.647 7.936 1 U 4.88e+07 0 e 0 29 45 44 391 8.376 118.647 7.927 1 U 1.8e+08 0 e 0 52 45 44 392 0.791 117.946 8.093 1 U 9.94e+08 0 e 0 75 67 66 393 1.615 117.204 7.949 1 U 2.59e+07 0 e 0 48 40 39 #394 4.732 120.005 8.155 1 U 7.38e+08 0 e 0 157 168 167 395 1.382 120.072 7.920 1 U 1.66e+08 0 e 0 83 74 73 396 0.817 119.909 7.922 1 U 2.25e+09 0 e 0 301 293 292 397 2.216 119.293 7.793 1 U 2.78e+08 0 e 0 197 196 195 398 1.794 119.293 7.797 1 U 4.03e+08 0 e 0 194 196 195 399 1.533 119.293 7.788 1 U 3.15e+08 0 e 0 169 196 195 400 8.009 119.293 7.788 1 U 3.51e+08 0 e 0 207 196 195 401 2.719 121.075 7.776 1 U 5.03e+08 0 e 0 270 277 276 402 1.427 118.536 8.493 1 U 3.97e+08 0 e 0 260 259 258 403 3.354 118.536 8.480 1 U 2.35e+09 0 e 0 254 259 258 404 1.658 116.451 7.734 1 U 1.69e+09 0 e 0 279 299 298 ##405 0.935 121.040 7.940 1 U 5.18e+09 0 e 0 242 233 232 406 0.953 120.029 7.859 1 U 2.57e+08 0 e 0 242 252 251 407 4.343 118.249 10.523 1 U 7.1e+08 0 e 0 219 209 206 408 1.385 118.249 10.523 1 U 1.88e+08 0 e 0 260 253 250 409 1.638 118.249 10.531 1 U 1.07e+08 0 e 0 260 253 250 410 0.977 118.249 10.523 1 U 4.62e+08 0 e 0 261 253 250 ##411 1.090 118.249 10.488 1 U 1.19e+08 0 e 0 241 253 250 ##412 10.475 119.327 10.461 1 U 4.44e+09 0 e 0 206 234 231 413 2.483 117.025 8.821 1 U 2.31e+08 0 e 0 5 11 10 414 2.431 120.996 8.404 1 U 1.35e+09 0 e 0 5 16 15 415 8.337 120.996 7.943 1 U 2.95e+08 0 e 0 33 16 15 #416 10.355 119.308 7.731 1 U 7.92e+08 0 e 0 231 234 232 417 8.468 119.308 7.783 1 U 2.57e+08 0 e 0 10 22 21 418 1.483 120.173 7.734 1 U 2.34e+08 0 e 0 48 27 26 ##419 1.983 117.845 8.336 1 U 1.16e+09 0 e 0 46 34 33 420 4.014 117.204 7.932 1 U 7.06e+08 0 e 0 25 40 39 421 2.283 118.490 8.367 1 U 7.8e+08 0 e 0 35 53 52 422 1.800 118.490 8.372 1 U 8.11e+08 0 e 0 47 53 52 423 1.518 118.490 8.372 1 U 1.83e+08 0 e 0 76 53 52 424 0.896 118.490 8.372 1 U 9.46e+09 0 e 0 29 53 52 425 7.063 117.710 8.201 1 U 3.35e+08 0 e 0 63 61 60 426 7.881 117.946 8.089 1 U 3.62e+08 0 e 0 80 67 66 427 1.500 120.132 7.923 1 U 2.3e+09 0 e 0 76 88 87 428 2.161 119.410 7.729 1 U 1.62e+08 0 e 0 115 95 94 429 1.496 119.410 7.716 1 U 1.49e+08 0 e 0 76 95 94 430 1.561 119.410 7.786 1 U 1.9e+08 0 e 0 48 22 21 ##431 2.109 120.005 8.007 1 U 3.51e+08 0 e 0 109 101 100 ##432 2.818 117.408 8.219 1 U 6.49e+07 0 e 0 121 114 113 433 3.188 117.408 8.202 1 U 1.61e+08 0 e 0 62 61 60 434 2.931 118.270 8.236 1 U 2.56e+08 0 e 0 125 128 127 435 2.701 118.270 8.236 1 U 1.6e+08 0 e 0 126 128 127 436 4.745 121.047 8.408 1 U 6.39e+09 0 e 0 124 142 141 437 2.201 120.634 8.322 1 U 1.53e+09 0 e 0 132 145 144 438 8.207 120.634 8.313 1 U 1.89e+08 0 e 0 127 145 144 439 1.835 120.072 8.134 1 U 1.66e+09 0 e 0 152 151 150 440 1.335 120.072 8.151 1 U 7.54e+08 0 e 0 153 151 150 ##441 2.431 120.072 8.168 1 U 3.33e+08 0 e 0 174 168 167 442 8.150 121.698 8.412 1 U 1.92e+08 0 e 0 182 177 176 443 8.572 121.698 8.412 1 U 2.9e+08 0 e 0 161 177 176 444 2.309 118.241 8.160 1 U 1.63e+10 0 e 0 174 183 182 445 0.891 118.241 8.169 1 U 3.81e+09 0 e 0 170 183 182 446 2.166 119.909 7.865 1 U 2.71e+08 0 e 0 197 188 187 ##447 1.487 119.909 7.926 1 U 4.17e+09 0 e 0 260 293 292 448 8.524 119.909 7.865 1 U 1.8e+08 0 e 0 176 188 187 449 7.611 119.293 7.788 1 U 3.88e+08 0 e 0 201 196 195 450 8.198 119.396 8.417 1 U 2.72e+08 0 e 0 222 215 214 451 7.263 121.040 7.940 1 U 1.41e+09 0 e 0 235 233 232 ##452 3.379 118.517 8.273 1 U 1.78e+08 0 e 0 254 240 239 453 3.279 120.029 7.864 1 U 1.39e+09 0 e 0 230 252 251 454 3.558 120.029 7.855 1 U 1.16e+09 0 e 0 229 252 251 ##455 2.753 120.029 7.868 1 U 1.2e+09 0 e 0 269 252 251 456 2.131 120.029 7.864 1 U 2.1e+08 0 e 0 238 252 251 ##457 7.968 118.536 8.480 1 U 3.3e+08 0 e 0 284 259 258 458 8.337 118.536 8.480 1 U 3.77e+08 0 e 0 239 259 258 459 7.111 118.536 8.359 1 U 6.52e+08 0 e 0 55 53 52 ##460 0.922 116.736 7.577 1 U 7.65e+09 0 e 0 278 272 271 ##461 4.236 119.481 7.932 1 U 1.27e+10 0 e 0 289 285 284 462 7.750 119.481 7.936 1 U 3.65e+08 0 e 0 298 285 284 ; 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-aliphatic 2 . 14 ppm . . . 4.76 . . 34239 1 2 . . N 15 N 3 . 36 ppm . . . 116 . . 34239 1 3 . . H 1 HN 2 . 14 ppm . . . 4.76 . . 34239 1 stop_ save_