######################### # 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 30409 _Spectral_peak_list.ID 1 _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 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 ; Peak list from NOESY spectrum analysed and sequentially assigned in CARA and subsequently all NOESY peaks were autoassigned using CYANA. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 1H # INAME 2 1H 2 4.052 9.041 2 U 0.000e+00 0.00e+00 - 0 144 142 0 3 2.326 9.041 2 U 0.000e+00 0.00e+00 - 0 152 142 0 4 5.539 8.979 2 U 0.000e+00 0.00e+00 - 0 237 235 0 5 3.288 8.979 2 U 0.000e+00 0.00e+00 - 0 239 235 0 6 3.033 8.979 2 U 0.000e+00 0.00e+00 - 0 240 235 0 7 4.101 8.812 2 U 0.000e+00 0.00e+00 - 0 246 244 0 12 4.494 8.691 2 U 0.000e+00 0.00e+00 - 0 224 222 0 13 3.928 8.691 2 U 0.000e+00 0.00e+00 - 0 226 222 0 17 3.038 8.590 2 U 0.000e+00 0.00e+00 - 0 72 66 0 18 2.924 8.576 2 U 0.000e+00 0.00e+00 - 0 93 89 0 19 2.436 8.576 2 U 0.000e+00 0.00e+00 - 0 94 89 0 20 5.458 8.576 2 U 0.000e+00 0.00e+00 - 0 91 89 0 21 4.959 8.561 2 U 0.000e+00 0.00e+00 - 0 199 197 0 22 4.698 8.559 2 U 0.000e+00 0.00e+00 - 0 0 0 0 23 4.140 8.570 2 U 0.000e+00 0.00e+00 - 0 15 13 0 24 2.009 8.570 2 U 0.000e+00 0.00e+00 - 0 17 13 0 27 1.166 8.561 2 U 0.000e+00 0.00e+00 - 0 206 197 0 28 0.815 8.627 2 U 0.000e+00 0.00e+00 - 0 113 98 0 33 1.990 8.501 2 U 0.000e+00 0.00e+00 - 0 126 116 0 35 4.712 8.443 2 U 0.000e+00 0.00e+00 - 0 33 31 0 36 3.822 8.443 2 U 0.000e+00 0.00e+00 - 0 35 31 0 37 3.764 8.443 2 U 0.000e+00 0.00e+00 - 0 36 31 0 40 4.943 8.377 2 U 0.000e+00 0.00e+00 - 0 391 389 0 42 2.757 8.377 2 U 0.000e+00 0.00e+00 - 0 393 389 0 43 2.600 8.377 2 U 0.000e+00 0.00e+00 - 0 394 389 0 45 4.250 8.331 2 U 0.000e+00 0.00e+00 - 0 280 278 0 46 3.949 8.281 2 U 0.000e+00 0.00e+00 - 0 373 369 0 47 4.479 8.234 2 U 0.000e+00 0.00e+00 - 0 172 170 0 48 3.968 8.234 2 U 0.000e+00 0.00e+00 - 0 174 170 0 49 4.106 8.223 2 U 0.000e+00 0.00e+00 - 0 182 180 0 50 3.750 8.223 2 U 0.000e+00 0.00e+00 - 0 183 180 0 53 5.076 8.093 2 U 0.000e+00 0.00e+00 - 0 59 57 0 54 3.091 8.093 2 U 0.000e+00 0.00e+00 - 0 61 57 0 55 2.572 8.093 2 U 0.000e+00 0.00e+00 - 0 62 57 0 56 4.310 8.091 2 U 0.000e+00 0.00e+00 - 0 345 343 0 57 1.721 8.091 2 U 0.000e+00 0.00e+00 - 0 348 343 0 58 1.599 8.091 2 U 0.000e+00 0.00e+00 - 0 353 343 0 59 4.325 8.054 2 U 0.000e+00 0.00e+00 - 0 335 333 0 60 3.832 8.054 2 U 0.000e+00 0.00e+00 - 0 339 333 0 62 4.267 7.998 2 U 0.000e+00 0.00e+00 - 0 378 376 0 63 4.150 7.998 2 U 0.000e+00 0.00e+00 - 0 380 376 0 64 1.113 7.998 2 U 0.000e+00 0.00e+00 - 0 381 376 0 65 4.300 7.916 2 U 0.000e+00 0.00e+00 - 0 0 0 0 66 4.253 7.845 2 U 0.000e+00 0.00e+00 - 0 189 187 0 67 1.271 7.845 2 U 0.000e+00 0.00e+00 - 0 190 187 0 68 4.596 8.526 2 U 0.000e+00 0.00e+00 - 0 133 131 0 69 1.340 7.746 2 U 0.000e+00 0.00e+00 - 0 326 323 0 71 3.137 7.153 2 U 0.000e+00 0.00e+00 - 0 357 359 0 72 1.846 7.153 2 U 0.000e+00 0.00e+00 - 0 347 359 0 73 1.721 7.153 2 U 0.000e+00 0.00e+00 - 0 348 359 0 74 1.599 7.153 2 U 0.000e+00 0.00e+00 - 0 353 359 0 76 2.016 9.041 1 U 0.000e+00 0.00e+00 - 0 147 142 0 78 1.936 8.627 1 U 0.000e+00 0.00e+00 - 0 102 98 0 79 1.276 8.561 1 U 0.000e+00 0.00e+00 - 0 205 197 0 80 1.846 8.091 1 U 0.000e+00 0.00e+00 - 0 347 343 0 81 4.925 8.590 1 U 0.000e+00 0.00e+00 - 0 68 66 0 82 4.846 8.120 1 U 0.000e+00 0.00e+00 - 0 0 0 0 83 4.167 7.912 1 U 0.000e+00 0.00e+00 - 0 0 0 0 84 1.094 7.916 1 U 0.000e+00 0.00e+00 - 0 0 0 0 85 4.161 7.746 1 U 0.000e+00 0.00e+00 - 0 325 323 0 86 2.906 8.526 1 U 0.000e+00 0.00e+00 - 0 135 131 0 87 2.567 8.526 1 U 0.000e+00 0.00e+00 - 0 136 131 0 88 3.038 7.204 1 U 0.000e+00 0.00e+00 - 0 72 73 0 89 4.925 7.205 1 U 0.000e+00 0.00e+00 - 0 68 73 0 90 4.925 7.254 1 U 0.000e+00 0.00e+00 - 0 68 74 0 91 3.038 7.255 1 U 0.000e+00 0.00e+00 - 0 72 74 0 92 3.038 8.576 1 U 0.000e+00 0.00e+00 - 0 72 89 0 93 4.925 8.576 1 U 0.000e+00 0.00e+00 - 0 68 89 0 94 2.572 8.590 1 U 0.000e+00 0.00e+00 - 0 62 66 0 95 3.091 8.590 1 U 0.000e+00 0.00e+00 - 0 61 66 0 96 5.076 8.590 1 U 0.000e+00 0.00e+00 - 0 59 66 0 97 4.344 2.211 1 U 0.000e+00 0.00e+00 - 0 43 45 0 98 4.344 1.978 1 U 0.000e+00 0.00e+00 - 0 43 51 0 99 4.344 1.858 1 U 0.000e+00 0.00e+00 - 0 43 46 0 100 3.780 1.858 1 U 0.000e+00 0.00e+00 - 0 52 46 0 101 3.714 1.858 1 U 0.000e+00 0.00e+00 - 0 53 46 0 102 3.780 1.978 1 U 0.000e+00 0.00e+00 - 0 52 51 0 103 3.714 1.978 1 U 0.000e+00 0.00e+00 - 0 53 51 0 104 3.714 2.211 1 U 0.000e+00 0.00e+00 - 0 53 45 0 105 3.780 2.211 1 U 0.000e+00 0.00e+00 - 0 52 45 0 106 2.207 1.978 1 U 0.000e+00 0.00e+00 - 0 45 51 0 107 2.207 1.858 1 U 0.000e+00 0.00e+00 - 0 45 46 0 108 1.974 1.858 1 U 0.000e+00 0.00e+00 - 0 51 46 0 109 4.344 8.093 1 U 0.000e+00 0.00e+00 - 0 43 57 0 110 5.458 8.627 1 U 0.000e+00 0.00e+00 - 0 91 98 0 112 4.243 8.627 1 U 0.000e+00 0.00e+00 - 0 100 98 0 113 2.924 8.627 1 U 0.000e+00 0.00e+00 - 0 93 98 0 114 2.436 8.627 1 U 0.000e+00 0.00e+00 - 0 94 98 0 117 1.535 8.561 1 U 0.000e+00 0.00e+00 - 0 211 197 0 118 1.639 8.561 1 U 0.000e+00 0.00e+00 - 0 203 197 0 119 1.749 8.501 1 U 0.000e+00 0.00e+00 - 0 121 116 0 121 1.124 8.691 1 U 0.000e+00 0.00e+00 - 0 227 222 0 122 1.351 8.333 1 U 0.000e+00 0.00e+00 - 0 0 0 0 123 2.492 8.331 1 U 0.000e+00 0.00e+00 - 0 283 278 0 124 1.293 7.960 1 U 0.000e+00 0.00e+00 - 0 0 0 0 126 2.993 6.806 1 U 0.000e+00 0.00e+00 - 0 293 299 0 127 2.665 6.806 1 U 0.000e+00 0.00e+00 - 0 294 299 0 128 4.712 8.526 1 U 0.000e+00 0.00e+00 - 0 118 131 0 130 4.402 8.383 1 U 0.000e+00 0.00e+00 - 0 314 312 0 131 4.402 7.746 1 U 0.000e+00 0.00e+00 - 0 314 323 0 132 4.161 8.054 1 U 0.000e+00 0.00e+00 - 0 325 333 0 133 1.342 8.054 1 U 0.000e+00 0.00e+00 - 0 329 333 0 134 4.253 8.561 1 U 0.000e+00 0.00e+00 - 0 189 197 0 135 4.310 8.281 1 U 0.000e+00 0.00e+00 - 0 345 369 0 136 8.087 4.329 1 U 0.000e+00 0.00e+00 - 0 343 335 0 137 3.949 7.998 1 U 0.000e+00 0.00e+00 - 0 373 376 0 138 1.168 8.406 1 U 0.000e+00 0.00e+00 - 0 162 157 0 139 4.154 8.406 1 U 0.000e+00 0.00e+00 - 0 159 157 0 140 1.344 7.621 1 U 0.000e+00 0.00e+00 - 0 0 0 0 141 4.959 8.691 1 U 0.000e+00 0.00e+00 - 0 199 222 0 142 4.494 8.979 1 U 0.000e+00 0.00e+00 - 0 224 235 0 143 0.894 8.812 1 U 0.000e+00 0.00e+00 - 0 259 244 0 144 1.951 8.812 1 U 0.000e+00 0.00e+00 - 0 248 244 0 146 4.712 8.501 1 U 0.000e+00 0.00e+00 - 0 118 116 0 148 5.539 8.812 1 U 0.000e+00 0.00e+00 - 0 237 244 0 149 1.124 8.979 1 U 0.000e+00 0.00e+00 - 0 227 235 0 150 0.894 8.979 1 U 0.000e+00 0.00e+00 - 0 259 235 0 151 3.928 8.979 1 U 0.000e+00 0.00e+00 - 0 226 235 0 152 3.033 8.812 1 U 0.000e+00 0.00e+00 - 0 240 244 0 153 3.288 8.812 1 U 0.000e+00 0.00e+00 - 0 239 244 0 154 4.243 8.501 1 U 0.000e+00 0.00e+00 - 0 100 116 0 155 4.712 3.784 1 U 0.000e+00 0.00e+00 - 0 33 52 0 156 4.712 3.718 1 U 0.000e+00 0.00e+00 - 0 33 53 0 157 4.140 8.443 1 U 0.000e+00 0.00e+00 - 0 15 31 0 158 2.009 8.443 1 U 0.000e+00 0.00e+00 - 0 17 31 0 159 0.875 8.443 1 U 0.000e+00 0.00e+00 - 0 28 31 0 160 0.875 8.570 1 U 0.000e+00 0.00e+00 - 0 28 13 0 161 4.712 3.826 1 U 0.000e+00 0.00e+00 - 0 33 35 0 162 4.712 3.768 1 U 0.000e+00 0.00e+00 - 0 33 36 0 163 3.822 3.768 1 U 0.000e+00 0.00e+00 - 0 35 36 0 164 3.780 3.718 1 U 0.000e+00 0.00e+00 - 0 52 53 0 165 4.243 8.501 1 U 0.000e+00 0.00e+00 - 0 100 116 0 166 1.936 8.501 1 U 0.000e+00 0.00e+00 - 0 102 116 0 167 0.815 8.501 1 U 0.000e+00 0.00e+00 - 0 113 116 0 168 1.936 0.819 1 U 0.000e+00 0.00e+00 - 0 102 113 0 169 4.243 0.819 1 U 0.000e+00 0.00e+00 - 0 100 113 0 170 4.243 1.940 1 U 0.000e+00 0.00e+00 - 0 100 102 0 171 1.803 8.501 1 U 0.000e+00 0.00e+00 - 0 120 116 0 172 4.712 1.994 1 U 0.000e+00 0.00e+00 - 0 118 126 0 173 4.712 1.807 1 U 0.000e+00 0.00e+00 - 0 118 120 0 174 4.712 1.753 1 U 0.000e+00 0.00e+00 - 0 118 121 0 175 1.990 1.807 1 U 0.000e+00 0.00e+00 - 0 126 120 0 176 1.990 1.753 1 U 0.000e+00 0.00e+00 - 0 126 121 0 177 1.803 1.753 1 U 0.000e+00 0.00e+00 - 0 120 121 0 178 1.998 8.526 1 U 0.000e+00 0.00e+00 - 0 126 131 0 179 1.799 8.526 1 U 0.000e+00 0.00e+00 - 0 120 131 0 180 1.745 8.526 1 U 0.000e+00 0.00e+00 - 0 121 131 0 181 4.712 8.526 1 U 0.000e+00 0.00e+00 - 0 118 131 0 182 4.596 2.910 1 U 0.000e+00 0.00e+00 - 0 133 135 0 183 4.596 2.571 1 U 0.000e+00 0.00e+00 - 0 133 136 0 184 2.906 2.571 1 U 0.000e+00 0.00e+00 - 0 135 136 0 185 4.596 9.041 1 U 0.000e+00 0.00e+00 - 0 133 142 0 186 2.902 9.041 1 U 0.000e+00 0.00e+00 - 0 135 142 0 187 2.567 9.041 1 U 0.000e+00 0.00e+00 - 0 136 142 0 188 2.066 9.041 1 U 0.000e+00 0.00e+00 - 0 146 142 0 189 4.052 2.330 1 U 0.000e+00 0.00e+00 - 0 144 152 0 190 4.052 2.070 1 U 0.000e+00 0.00e+00 - 0 144 146 0 191 4.052 2.020 1 U 0.000e+00 0.00e+00 - 0 144 147 0 192 2.326 2.070 1 U 0.000e+00 0.00e+00 - 0 152 146 0 193 2.326 2.020 1 U 0.000e+00 0.00e+00 - 0 152 147 0 194 2.066 2.020 1 U 0.000e+00 0.00e+00 - 0 146 147 0 195 4.049 8.406 1 U 0.000e+00 0.00e+00 - 0 144 157 0 196 2.326 8.406 1 U 0.000e+00 0.00e+00 - 0 152 157 0 197 2.070 8.406 1 U 0.000e+00 0.00e+00 - 0 146 157 0 198 2.008 8.406 1 U 0.000e+00 0.00e+00 - 0 147 157 0 199 4.197 8.406 1 U 0.000e+00 0.00e+00 - 0 161 157 0 200 4.154 4.197 1 U 0.000e+00 0.00e+00 - 0 159 161 0 201 4.154 1.172 1 U 0.000e+00 0.00e+00 - 0 159 162 0 202 4.197 1.172 1 U 0.000e+00 0.00e+00 - 0 161 162 0 203 4.154 8.234 1 U 0.000e+00 0.00e+00 - 0 159 170 0 204 4.197 8.234 1 U 0.000e+00 0.00e+00 - 0 161 170 0 205 1.168 8.234 1 U 0.000e+00 0.00e+00 - 0 162 170 0 206 4.479 8.223 1 U 0.000e+00 0.00e+00 - 0 172 180 0 207 3.968 8.223 1 U 0.000e+00 0.00e+00 - 0 174 180 0 208 4.106 3.754 1 U 0.000e+00 0.00e+00 - 0 182 183 0 209 4.479 3.968 1 U 0.000e+00 0.00e+00 - 0 172 174 0 210 4.479 7.845 1 U 0.000e+00 0.00e+00 - 0 172 187 0 211 4.106 7.845 1 U 0.000e+00 0.00e+00 - 0 182 187 0 212 3.968 7.845 1 U 0.000e+00 0.00e+00 - 0 174 187 0 213 3.750 7.845 1 U 0.000e+00 0.00e+00 - 0 183 187 0 214 1.271 8.561 1 U 0.000e+00 0.00e+00 - 0 190 197 0 215 2.826 8.561 1 U 0.000e+00 0.00e+00 - 0 215 197 0 216 4.959 1.643 1 U 0.000e+00 0.00e+00 - 0 199 203 0 217 4.959 1.539 1 U 0.000e+00 0.00e+00 - 0 199 211 0 218 4.959 1.170 1 U 0.000e+00 0.00e+00 - 0 199 206 0 219 4.959 2.830 1 U 0.000e+00 0.00e+00 - 0 199 215 0 220 4.959 1.280 1 U 0.000e+00 0.00e+00 - 0 199 205 0 221 2.826 1.643 1 U 0.000e+00 0.00e+00 - 0 215 203 0 222 2.826 1.539 1 U 0.000e+00 0.00e+00 - 0 215 211 0 223 2.826 1.280 1 U 0.000e+00 0.00e+00 - 0 215 205 0 224 2.826 1.170 1 U 0.000e+00 0.00e+00 - 0 215 206 0 225 1.639 1.539 1 U 0.000e+00 0.00e+00 - 0 203 211 0 226 1.639 1.280 1 U 0.000e+00 0.00e+00 - 0 203 205 0 227 1.639 1.170 1 U 0.000e+00 0.00e+00 - 0 203 206 0 228 1.535 1.280 1 U 0.000e+00 0.00e+00 - 0 211 205 0 229 1.535 1.170 1 U 0.000e+00 0.00e+00 - 0 211 206 0 230 1.276 1.170 1 U 0.000e+00 0.00e+00 - 0 205 206 0 231 1.647 8.691 1 U 0.000e+00 0.00e+00 - 0 203 222 0 232 1.542 8.691 1 U 0.000e+00 0.00e+00 - 0 211 222 0 233 1.276 8.691 1 U 0.000e+00 0.00e+00 - 0 205 222 0 234 1.166 8.691 1 U 0.000e+00 0.00e+00 - 0 206 222 0 235 4.494 1.128 1 U 0.000e+00 0.00e+00 - 0 224 227 0 236 3.928 1.128 1 U 0.000e+00 0.00e+00 - 0 226 227 0 237 4.494 3.932 1 U 0.000e+00 0.00e+00 - 0 224 226 0 238 5.539 3.292 1 U 0.000e+00 0.00e+00 - 0 237 239 0 239 5.539 3.037 1 U 0.000e+00 0.00e+00 - 0 237 240 0 240 3.288 3.037 1 U 0.000e+00 0.00e+00 - 0 239 240 0 241 4.101 1.955 1 U 0.000e+00 0.00e+00 - 0 246 248 0 242 4.101 0.898 1 U 0.000e+00 0.00e+00 - 0 246 259 0 243 4.101 0.898 1 U 0.000e+00 0.00e+00 - 0 246 259 0 244 0.894 8.331 1 U 0.000e+00 0.00e+00 - 0 259 278 0 245 4.310 3.141 1 U 0.000e+00 0.00e+00 - 0 345 357 0 246 4.310 3.141 1 U 0.000e+00 0.00e+00 - 0 345 357 0 247 4.310 1.850 1 U 0.000e+00 0.00e+00 - 0 345 347 0 248 4.310 1.725 1 U 0.000e+00 0.00e+00 - 0 345 348 0 249 4.310 1.603 1 U 0.000e+00 0.00e+00 - 0 345 353 0 250 3.137 1.850 1 U 0.000e+00 0.00e+00 - 0 357 347 0 251 3.137 1.725 1 U 0.000e+00 0.00e+00 - 0 357 348 0 252 3.137 1.725 1 U 0.000e+00 0.00e+00 - 0 357 348 0 253 1.846 1.725 1 U 0.000e+00 0.00e+00 - 0 347 348 0 254 1.846 1.603 1 U 0.000e+00 0.00e+00 - 0 347 353 0 255 1.721 1.603 1 U 0.000e+00 0.00e+00 - 0 348 353 0 256 4.310 7.153 1 U 0.000e+00 0.00e+00 - 0 345 359 0 257 1.846 8.281 1 U 0.000e+00 0.00e+00 - 0 347 369 0 258 1.718 8.281 1 U 0.000e+00 0.00e+00 - 0 348 369 0 259 1.595 8.281 1 U 0.000e+00 0.00e+00 - 0 353 369 0 260 4.267 4.154 1 U 0.000e+00 0.00e+00 - 0 378 380 0 261 4.267 1.117 1 U 0.000e+00 0.00e+00 - 0 378 381 0 262 4.150 1.117 1 U 0.000e+00 0.00e+00 - 0 380 381 0 263 2.993 7.545 1 U 0.000e+00 0.00e+00 - 0 293 298 0 264 2.665 7.545 1 U 0.000e+00 0.00e+00 - 0 294 298 0 265 2.665 8.806 1 U 0.000e+00 0.00e+00 - 0 294 289 0 266 2.993 8.806 1 U 0.000e+00 0.00e+00 - 0 293 289 0 267 4.442 8.806 1 U 0.000e+00 0.00e+00 - 0 291 289 0 268 2.654 7.746 1 U 0.000e+00 0.00e+00 - 0 318 323 0 269 2.654 8.383 1 U 0.000e+00 0.00e+00 - 0 318 312 0 270 4.161 1.344 1 U 0.000e+00 0.00e+00 - 0 325 326 0 271 4.402 2.658 1 U 0.000e+00 0.00e+00 - 0 314 318 0 272 4.343 8.383 1 U 0.000e+00 0.00e+00 - 0 305 312 0 273 4.343 7.776 1 U 0.000e+00 0.00e+00 - 0 305 303 0 274 8.379 7.776 1 U 0.000e+00 0.00e+00 - 0 312 303 0 275 7.772 8.383 1 U 0.000e+00 0.00e+00 - 0 303 312 0 277 2.871 7.776 1 U 0.000e+00 0.00e+00 - 0 308 303 0 278 2.871 8.383 1 U 0.000e+00 0.00e+00 - 0 308 312 0 279 3.303 8.383 1 U 0.000e+00 0.00e+00 - 0 307 312 0 280 2.993 7.776 1 U 0.000e+00 0.00e+00 - 0 293 303 0 281 2.665 8.806 1 U 0.000e+00 0.00e+00 - 0 294 289 0 282 6.802 7.545 1 U 0.000e+00 0.00e+00 - 0 299 298 0 283 7.541 6.806 1 U 0.000e+00 0.00e+00 - 0 298 299 0 284 3.303 7.776 1 U 0.000e+00 0.00e+00 - 0 307 303 0 285 4.442 7.776 1 U 0.000e+00 0.00e+00 - 0 291 303 0 286 4.250 2.496 1 U 0.000e+00 0.00e+00 - 0 280 283 0 287 4.250 2.594 1 U 0.000e+00 0.00e+00 - 0 280 282 0 288 2.590 2.496 1 U 0.000e+00 0.00e+00 - 0 282 283 0 289 4.250 8.806 1 U 0.000e+00 0.00e+00 - 0 280 289 0 290 2.590 8.806 1 U 0.000e+00 0.00e+00 - 0 282 289 0 291 2.492 8.806 1 U 0.000e+00 0.00e+00 - 0 283 289 0 292 2.590 8.331 1 U 0.000e+00 0.00e+00 - 0 282 278 0 293 3.651 8.331 1 U 0.000e+00 0.00e+00 - 0 275 278 0 295 1.889 8.331 1 U 0.000e+00 0.00e+00 - 0 270 278 0 296 1.841 8.331 1 U 0.000e+00 0.00e+00 - 0 271 278 0 297 2.451 8.331 1 U 0.000e+00 0.00e+00 - 0 268 278 0 298 4.661 8.331 1 U 0.000e+00 0.00e+00 - 0 264 278 0 299 4.661 3.655 1 U 0.000e+00 0.00e+00 - 0 264 275 0 300 4.661 2.455 1 U 0.000e+00 0.00e+00 - 0 264 268 0 301 4.661 1.893 1 U 0.000e+00 0.00e+00 - 0 264 270 0 302 4.661 1.845 1 U 0.000e+00 0.00e+00 - 0 264 271 0 303 3.651 2.455 1 U 0.000e+00 0.00e+00 - 0 275 268 0 304 3.651 1.893 1 U 0.000e+00 0.00e+00 - 0 275 270 0 305 3.651 1.845 1 U 0.000e+00 0.00e+00 - 0 275 271 0 306 2.451 1.893 1 U 0.000e+00 0.00e+00 - 0 268 270 0 307 2.451 1.845 1 U 0.000e+00 0.00e+00 - 0 268 271 0 308 1.889 1.845 1 U 0.000e+00 0.00e+00 - 0 270 271 0 309 4.101 8.331 1 U 0.000e+00 0.00e+00 - 0 246 278 0 310 1.951 8.331 1 U 0.000e+00 0.00e+00 - 0 248 278 0 311 4.661 4.105 1 U 0.000e+00 0.00e+00 - 0 264 246 0 312 4.101 2.448 1 U 0.000e+00 0.00e+00 - 0 246 266 0 313 4.098 1.894 1 U 0.000e+00 0.00e+00 - 0 0 0 0 314 4.102 1.844 1 U 0.000e+00 0.00e+00 - 0 0 0 0 315 3.832 8.091 1 U 0.000e+00 0.00e+00 - 0 339 343 0 316 4.267 8.377 1 U 0.000e+00 0.00e+00 - 0 378 389 0 317 4.150 8.377 1 U 0.000e+00 0.00e+00 - 0 380 389 0 318 1.114 8.377 1 U 0.000e+00 0.00e+00 - 0 381 389 0 319 4.943 2.761 1 U 0.000e+00 0.00e+00 - 0 391 393 0 320 4.943 2.604 1 U 0.000e+00 0.00e+00 - 0 391 394 0 321 2.757 2.604 1 U 0.000e+00 0.00e+00 - 0 393 394 0 322 4.933 3.612 1 U 0.000e+00 0.00e+00 - 0 391 415 0 323 4.936 3.683 1 U 0.000e+00 0.00e+00 - 0 391 414 0 324 3.679 3.612 1 U 0.000e+00 0.00e+00 - 0 414 415 0 325 3.608 2.160 1 U 0.000e+00 0.00e+00 - 0 415 409 0 326 3.679 2.160 1 U 0.000e+00 0.00e+00 - 0 414 409 0 327 3.608 1.925 1 U 0.000e+00 0.00e+00 - 0 415 413 0 328 3.679 1.925 1 U 0.000e+00 0.00e+00 - 0 414 413 0 329 4.173 2.160 1 U 0.000e+00 0.00e+00 - 0 405 409 0 330 4.173 1.925 1 U 0.000e+00 0.00e+00 - 0 405 413 0 331 2.156 1.925 1 U 0.000e+00 0.00e+00 - 0 409 413 0 332 6.851 7.563 1 U 0.000e+00 0.00e+00 - 0 399 398 0 333 7.559 6.855 1 U 0.000e+00 0.00e+00 - 0 398 399 0 334 1.943 5.557 1 U 0.000e+00 0.00e+00 - 0 0 0 0 335 2.436 5.557 1 U 0.000e+00 0.00e+00 - 0 94 237 0 336 2.436 5.462 1 U 0.000e+00 0.00e+00 - 0 94 91 0 337 1.935 5.472 1 U 0.000e+00 0.00e+00 - 0 0 0 0 338 2.924 5.462 1 U 0.000e+00 0.00e+00 - 0 93 91 0 339 2.924 5.554 1 U 0.000e+00 0.00e+00 - 0 93 237 0 340 3.032 5.554 1 U 0.000e+00 0.00e+00 - 0 240 237 0 341 3.038 5.462 1 U 0.000e+00 0.00e+00 - 0 240 91 0 342 3.288 5.462 1 U 0.000e+00 0.00e+00 - 0 239 91 0 343 3.290 5.553 1 U 0.000e+00 0.00e+00 - 0 239 237 0 344 4.252 5.468 1 U 0.000e+00 0.00e+00 - 0 0 0 0 345 4.252 5.550 1 U 0.000e+00 0.00e+00 - 0 0 0 0 346 4.104 5.550 1 U 0.000e+00 0.00e+00 - 0 0 0 0 347 5.460 5.559 1 U 0.000e+00 0.00e+00 - 0 0 0 0 348 5.534 5.468 1 U 0.000e+00 0.00e+00 - 0 0 0 0 349 5.458 2.928 1 U 0.000e+00 0.00e+00 - 0 91 93 0 350 5.458 2.440 1 U 0.000e+00 0.00e+00 - 0 91 94 0 351 2.924 2.440 1 U 0.000e+00 0.00e+00 - 0 93 94 0 352 4.343 3.307 1 U 0.000e+00 0.00e+00 - 0 305 307 0 353 4.343 2.875 1 U 0.000e+00 0.00e+00 - 0 305 308 0 354 3.303 2.875 1 U 0.000e+00 0.00e+00 - 0 307 308 0 355 5.076 3.095 1 U 0.000e+00 0.00e+00 - 0 59 61 0 356 5.076 2.576 1 U 0.000e+00 0.00e+00 - 0 59 62 0 357 3.091 2.576 1 U 0.000e+00 0.00e+00 - 0 61 62 0 358 5.074 3.312 1 U 0.000e+00 0.00e+00 - 0 59 307 0 359 5.071 2.872 1 U 0.000e+00 0.00e+00 - 0 59 308 0 360 4.341 3.095 1 U 0.000e+00 0.00e+00 - 0 305 61 0 361 4.338 2.580 1 U 0.000e+00 0.00e+00 - 0 305 62 0 362 5.450 3.302 1 U 0.000e+00 0.00e+00 - 0 91 239 0 363 5.453 3.054 1 U 0.000e+00 0.00e+00 - 0 91 240 0 364 5.537 2.938 1 U 0.000e+00 0.00e+00 - 0 237 93 0 365 5.542 2.449 1 U 0.000e+00 0.00e+00 - 0 237 94 0 366 4.925 3.042 1 U 0.000e+00 0.00e+00 - 0 68 72 0 367 5.540 8.626 1 U 0.000e+00 0.00e+00 - 0 0 0 0 368 5.453 8.691 1 U 0.000e+00 0.00e+00 - 0 0 0 0 369 5.459 8.811 1 U 0.000e+00 0.00e+00 - 0 0 0 0 370 0.816 7.256 1 U 0.000e+00 0.00e+00 - 0 0 0 0 371 0.816 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0 372 0.887 7.257 1 U 0.000e+00 0.00e+00 - 0 0 0 0 373 0.890 7.207 1 U 0.000e+00 0.00e+00 - 0 0 0 0 374 1.115 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0 375 1.115 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0 376 1.836 7.258 1 U 0.000e+00 0.00e+00 - 0 0 0 0 377 1.836 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0 378 2.187 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0 379 2.187 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0 380 1.939 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0 381 1.939 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0 382 1.985 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0 383 1.980 7.256 1 U 0.000e+00 0.00e+00 - 0 0 0 0 384 4.140 2.013 1 U 0.000e+00 0.00e+00 - 0 15 17 0 385 4.140 0.879 1 U 0.000e+00 0.00e+00 - 0 15 28 0 386 2.009 0.879 1 U 0.000e+00 0.00e+00 - 0 17 28 0 387 4.253 1.275 1 U 0.000e+00 0.00e+00 - 0 189 190 0 388 1.951 0.898 1 U 0.000e+00 0.00e+00 - 0 248 259 0 389 4.442 2.997 1 U 0.000e+00 0.00e+00 - 0 291 293 0 390 4.442 2.669 1 U 0.000e+00 0.00e+00 - 0 291 294 0 391 2.993 2.669 1 U 0.000e+00 0.00e+00 - 0 293 294 0 392 4.325 3.836 1 U 0.000e+00 0.00e+00 - 0 335 339 0 393 1.122 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0 394 1.122 5.471 1 U 0.000e+00 0.00e+00 - 0 0 0 0 395 0.889 5.471 1 U 0.000e+00 0.00e+00 - 0 0 0 0 396 0.814 5.470 1 U 0.000e+00 0.00e+00 - 0 0 0 0 397 0.814 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0 398 0.892 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0 399 4.926 5.463 1 U 0.000e+00 0.00e+00 - 0 0 0 0 400 4.960 8.526 1 U 0.000e+00 0.00e+00 - 0 0 0 0 401 7.761 8.805 1 U 0.000e+00 0.00e+00 - 0 0 0 0 402 8.318 8.806 1 U 0.000e+00 0.00e+00 - 0 0 0 0 403 8.578 8.812 1 U 0.000e+00 0.00e+00 - 0 0 0 0 404 8.676 8.978 1 U 0.000e+00 0.00e+00 - 0 0 0 0 405 8.792 8.979 1 U 0.000e+00 0.00e+00 - 0 0 0 0 406 8.391 9.041 1 U 0.000e+00 0.00e+00 - 0 0 0 0 407 8.218 9.040 1 U 0.000e+00 0.00e+00 - 0 0 0 0 408 8.213 8.527 1 U 0.000e+00 0.00e+00 - 0 0 0 0 409 8.213 8.408 1 U 0.000e+00 0.00e+00 - 0 0 0 0 410 7.834 8.525 1 U 0.000e+00 0.00e+00 - 0 0 0 0 411 8.077 8.591 1 U 0.000e+00 0.00e+00 - 0 0 0 0 412 7.192 8.583 1 U 0.000e+00 0.00e+00 - 0 0 0 0 413 1.167 9.040 1 U 0.000e+00 0.00e+00 - 0 0 0 0 414 0.813 9.041 1 U 0.000e+00 0.00e+00 - 0 0 0 0 415 0.816 8.807 1 U 0.000e+00 0.00e+00 - 0 0 0 0 416 1.117 8.806 1 U 0.000e+00 0.00e+00 - 0 0 0 0 417 0.813 8.690 1 U 0.000e+00 0.00e+00 - 0 0 0 0 418 0.892 8.589 1 U 0.000e+00 0.00e+00 - 0 0 0 0 419 0.814 8.573 1 U 0.000e+00 0.00e+00 - 0 0 0 0 420 0.878 8.501 1 U 0.000e+00 0.00e+00 - 0 0 0 0 421 1.122 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0 422 1.275 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0 423 1.158 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0 424 1.122 8.560 1 U 0.000e+00 0.00e+00 - 0 0 0 0 425 1.120 8.526 1 U 0.000e+00 0.00e+00 - 0 0 0 0 426 1.335 8.382 1 U 0.000e+00 0.00e+00 - 0 0 0 0 427 1.930 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0 428 1.997 8.691 1 U 0.000e+00 0.00e+00 - 0 0 0 0 429 2.436 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0 430 2.197 8.094 1 U 0.000e+00 0.00e+00 - 0 0 0 0 431 1.977 8.096 1 U 0.000e+00 0.00e+00 - 0 0 0 0 432 1.948 8.588 1 U 0.000e+00 0.00e+00 - 0 0 0 0 433 3.022 8.382 1 U 0.000e+00 0.00e+00 - 0 0 0 0 434 3.292 8.589 1 U 0.000e+00 0.00e+00 - 0 0 0 0 435 2.902 8.406 1 U 0.000e+00 0.00e+00 - 0 0 0 0 436 2.900 8.233 1 U 0.000e+00 0.00e+00 - 0 0 0 0 437 2.567 8.231 1 U 0.000e+00 0.00e+00 - 0 0 0 0 438 2.568 8.409 1 U 0.000e+00 0.00e+00 - 0 0 0 0 439 4.090 8.498 1 U 0.000e+00 0.00e+00 - 0 0 0 0 440 3.648 8.590 1 U 0.000e+00 0.00e+00 - 0 0 0 0 441 3.703 8.092 1 U 0.000e+00 0.00e+00 - 0 0 0 0 442 4.403 8.056 1 U 0.000e+00 0.00e+00 - 0 0 0 0 443 4.967 8.629 1 U 0.000e+00 0.00e+00 - 0 0 0 0 444 5.076 8.810 1 U 0.000e+00 0.00e+00 - 0 0 0 0 445 4.709 8.688 1 U 0.000e+00 0.00e+00 - 0 0 0 0 446 4.598 8.407 1 U 0.000e+00 0.00e+00 - 0 0 0 0 447 7.729 8.055 1 U 0.000e+00 0.00e+00 - 0 0 0 0 448 7.728 8.381 1 U 0.000e+00 0.00e+00 - 0 0 0 0 449 7.831 8.224 1 U 0.000e+00 0.00e+00 - 0 0 0 0 450 8.077 8.282 1 U 0.000e+00 0.00e+00 - 0 0 0 0 451 9.024 8.528 1 U 0.000e+00 0.00e+00 - 0 0 0 0 452 8.510 9.043 1 U 0.000e+00 0.00e+00 - 0 0 0 0 453 9.024 8.408 1 U 0.000e+00 0.00e+00 - 0 0 0 0 454 8.962 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0 455 8.961 8.808 1 U 0.000e+00 0.00e+00 - 0 0 0 0 456 8.797 8.590 1 U 0.000e+00 0.00e+00 - 0 0 0 0 457 8.795 8.332 1 U 0.000e+00 0.00e+00 - 0 0 0 0 458 9.024 8.230 1 U 0.000e+00 0.00e+00 - 0 0 0 0 459 8.510 8.225 1 U 0.000e+00 0.00e+00 - 0 0 0 0 460 8.574 8.095 1 U 0.000e+00 0.00e+00 - 0 0 0 0 461 8.568 7.205 1 U 0.000e+00 0.00e+00 - 0 0 0 0 462 8.568 7.255 1 U 0.000e+00 0.00e+00 - 0 0 0 0 463 8.795 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0 464 8.961 7.778 1 U 0.000e+00 0.00e+00 - 0 0 0 0 465 8.517 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0 466 8.211 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0 467 8.366 8.000 1 U 0.000e+00 0.00e+00 - 0 0 0 0 468 8.267 7.999 1 U 0.000e+00 0.00e+00 - 0 0 0 0 469 8.042 7.747 1 U 0.000e+00 0.00e+00 - 0 0 0 0 470 8.369 7.746 1 U 0.000e+00 0.00e+00 - 0 0 0 0 473 5.457 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0 474 4.598 7.207 1 U 0.000e+00 0.00e+00 - 0 0 0 0 475 2.565 7.255 1 U 0.000e+00 0.00e+00 - 0 0 0 0 476 2.565 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0 477 1.347 7.845 1 U 0.000e+00 0.00e+00 - 0 0 0 0 478 1.999 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0 479 2.568 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0 480 1.941 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0 481 1.838 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0 482 2.904 7.845 1 U 0.000e+00 0.00e+00 - 0 0 0 0 483 2.660 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0 484 3.034 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0 485 3.645 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0 486 4.249 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0 487 1.997 8.227 1 U 0.000e+00 0.00e+00 - 0 0 0 0 488 3.753 8.528 1 U 0.000e+00 0.00e+00 - 0 0 0 0 489 4.254 8.978 1 U 0.000e+00 0.00e+00 - 0 0 0 0 490 4.245 8.692 1 U 0.000e+00 0.00e+00 - 0 0 0 0 493 4.445 8.384 1 U 0.000e+00 0.00e+00 - 0 0 0 0 494 3.753 8.236 1 U 0.000e+00 0.00e+00 - 0 175 170 0 495 3.753 8.223 1 U 0.000e+00 0.00e+00 - 0 175 180 0 496 4.479 3.753 1 U 0.000e+00 0.00e+00 - 0 172 175 0 497 3.968 3.753 1 U 0.000e+00 0.00e+00 - 0 174 175 0 498 4.243 8.570 1 U 0.000e+00 0.00e+00 - 0 4 13 0 499 4.243 2.767 1 U 0.000e+00 0.00e+00 - 0 4 6 0 500 4.243 2.613 1 U 0.000e+00 0.00e+00 - 0 4 7 0 501 2.767 2.613 1 U 0.000e+00 0.00e+00 - 0 6 7 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 2 . 12 ppm . . . 4.76 . . 30409 1 2 . . H 1 H 1 . 12 ppm . . . 4.76 . . 30409 1 stop_ save_