######################### # 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 31045 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Index 1Dim 2Dim Intensity Workbook 1 7.730 4.10 +3.09e+05 Bruker_500 2 4.103 7.73 +9.99e+04 Bruker_500 3 7.730 1.97 +5.63e+05 Bruker_500 4 4.111 1.97 +3.52e+05 Bruker_500 5 7.730 3.19 +4.35e+04 Bruker_500 6 3.191 4.10 +4.74e+04 Bruker_500 7 3.191 1.62 +1.65e+05 Bruker_500 8 7.730 1.62 +1.44e+05 Bruker_500 9 8.631 4.03 +1.80e+05 Bruker_500 10 7.556 3.98 +2.73e+05 Bruker_500 11 8.198 4.05 +6.48e+05 Bruker_500 12 8.493 3.89 +3.76e+05 Bruker_500 13 8.156 3.90 +4.59e+05 Bruker_500 14 8.125 3.69 +2.67e+05 Bruker_500 15 7.738 4.04 +3.72e+05 Bruker_500 16 7.598 4.20 +3.56e+05 Bruker_500 17 8.631 4.21 +3.08e+05 Bruker_500 18 7.548 4.14 +3.88e+05 Bruker_500 19 7.327 4.14 +6.25e+05 Bruker_500 20 7.582 4.36 +7.33e+04 Bruker_500 21 7.327 3.69 +7.44e+04 Bruker_500 22 7.327 3.90 +1.36e+05 Bruker_500 23 7.582 3.69 +6.52e+04 Bruker_500 24 7.598 3.69 +1.23e+05 Bruker_500 25 8.157 3.69 +1.96e+05 Bruker_500 26 8.125 3.89 +1.85e+05 Bruker_500 27 8.125 4.14 +1.37e+05 Bruker_500 28 8.493 3.98 +1.74e+05 Bruker_500 29 8.492 4.05 +2.53e+05 Bruker_500 30 8.157 4.14 +1.07e+05 Bruker_500 31 7.738 3.89 +5.77e+04 Bruker_500 32 7.582 3.90 +1.11e+05 Bruker_500 33 7.596 4.14 +2.55e+05 Bruker_500 35 8.125 4.05 +1.14e+05 Bruker_500 36 8.156 4.04 +2.10e+05 Bruker_500 37 7.730 3.98 +1.87e+05 Bruker_500 38 8.198 4.10 +1.34e+05 Bruker_500 39 8.220 4.06 +3.27e+05 Bruker_500 40 8.631 8.22 +1.02e+05 Bruker_500 41 8.220 8.63 +6.77e+04 Bruker_500 42 8.199 8.49 +2.98e+05 Bruker_500 43 8.493 8.20 +3.70e+05 Bruker_500 44 8.492 7.74 +2.90e+05 Bruker_500 45 7.738 8.49 +2.03e+05 Bruker_500 46 7.548 8.49 +5.01e+04 Bruker_500 47 8.493 7.55 +6.31e+04 Bruker_500 48 8.220 7.56 +1.58e+05 Bruker_500 49 7.559 8.22 +1.85e+05 Bruker_500 50 7.730 8.20 +3.66e+05 Bruker_500 52 8.198 7.73 +3.33e+05 Bruker_500 54 7.326 8.16 +2.93e+05 Bruker_500 55 8.156 7.33 +2.73e+05 Bruker_500 56 8.125 7.55 +3.66e+05 Bruker_500 57 7.547 8.12 +3.91e+05 Bruker_500 58 8.124 7.74 +5.91e+04 Bruker_500 59 7.738 8.12 +5.36e+04 Bruker_500 60 7.738 7.55 +4.07e+05 Bruker_500 61 7.548 7.74 +3.82e+05 Bruker_500 62 7.326 7.60 +3.80e+05 Bruker_500 63 7.598 7.33 +3.26e+05 Bruker_500 64 7.730 7.56 +4.25e+05 Bruker_500 65 7.556 7.73 +3.91e+05 Bruker_500 66 8.125 7.33 +5.91e+04 Bruker_500 67 7.327 8.12 +9.63e+04 Bruker_500 68 4.030 8.63 +6.12e+04 Bruker_500 69 4.062 8.22 +1.41e+05 Bruker_500 70 4.047 8.20 +2.23e+05 Bruker_500 71 3.894 8.49 +2.02e+05 Bruker_500 72 4.103 8.20 +6.78e+04 Bruker_500 73 3.692 8.12 +1.91e+05 Bruker_500 74 4.047 8.49 +7.28e+04 Bruker_500 75 3.896 8.16 +2.63e+05 Bruker_500 76 4.037 7.74 +1.49e+05 Bruker_500 77 3.894 7.74 +6.89e+04 Bruker_500 78 3.984 7.56 +1.30e+05 Bruker_500 79 4.140 7.55 +9.80e+04 Bruker_500 80 4.197 7.60 +5.93e+04 Bruker_500 81 3.896 7.58 +9.71e+04 Bruker_500 82 4.140 7.33 +1.12e+05 Bruker_500 83 4.212 8.63 +4.28e+04 Bruker_500 84 3.984 8.49 +6.83e+04 Bruker_500 85 3.692 8.16 +1.44e+05 Bruker_500 86 3.984 7.73 +6.55e+04 Bruker_500 87 4.139 7.60 +8.02e+04 Bruker_500 88 4.038 7.55 +1.28e+05 Bruker_500 89 3.692 7.60 +1.07e+05 Bruker_500 90 3.692 7.58 +9.20e+04 Bruker_500 91 3.896 7.33 +6.90e+04 Bruker_500 92 3.692 7.33 +4.79e+04 Bruker_500 93 8.493 1.51 +1.11e+06 Bruker_500 94 3.894 1.51 +6.47e+05 Bruker_500 95 1.511 3.89 +8.95e+05 Bruker_500 96 1.511 8.49 +9.24e+05 Bruker_500 97 7.738 1.50 +8.41e+05 Bruker_500 98 4.037 1.50 +5.73e+05 Bruker_500 99 1.503 7.74 +8.77e+05 Bruker_500 100 1.503 4.04 +1.55e+06 Bruker_500 101 1.973 7.73 +3.38e+05 Bruker_500 102 1.619 7.73 +1.14e+05 Bruker_500 103 1.973 4.10 +6.63e+05 Bruker_500 104 1.618 4.10 +2.33e+05 Bruker_500 105 1.973 3.19 +1.95e+05 Bruker_500 106 1.618 3.19 +1.27e+05 Bruker_500 107 1.973 1.62 +9.13e+05 Bruker_500 108 1.619 1.97 +8.82e+05 Bruker_500 109 3.191 1.97 +1.78e+05 Bruker_500 110 4.103 1.62 +9.25e+04 Bruker_500 111 1.947 8.12 +4.00e+05 Bruker_500 113 0.804 8.12 +2.28e+05 Bruker_500 114 8.124 1.95 +5.92e+05 Bruker_500 115 8.125 0.90 +2.53e+05 Bruker_500 116 8.125 0.80 +1.77e+05 Bruker_500 118 0.902 3.69 +6.68e+05 Bruker_500 119 1.947 3.69 +1.50e+05 Bruker_500 120 0.902 1.95 +1.10e+06 Bruker_500 121 0.804 1.95 +4.45e+05 Bruker_500 122 1.947 0.80 +2.43e+05 Bruker_500 123 1.947 0.90 +6.71e+05 Bruker_500 124 3.692 1.95 +1.54e+05 Bruker_500 125 3.692 0.90 +4.69e+05 Bruker_500 126 3.692 0.80 +1.63e+05 Bruker_500 127 2.037 8.63 +1.47e+05 Bruker_500 128 8.631 2.04 +2.45e+05 Bruker_500 130 7.598 2.02 +6.11e+05 Bruker_500 131 7.598 0.87 +2.86e+05 Bruker_500 133 4.197 0.96 +1.04e+05 Bruker_500 134 2.018 7.60 +4.46e+05 Bruker_500 136 0.870 7.60 +2.76e+05 Bruker_500 137 2.018 4.20 +5.38e+05 Bruker_500 138 0.958 4.20 +7.87e+05 Bruker_500 139 0.870 4.20 +1.90e+05 Bruker_500 140 0.958 2.02 +2.18e+06 Bruker_500 142 2.018 0.87 +3.47e+05 Bruker_500 143 2.018 0.96 +1.31e+06 Bruker_500 144 4.197 2.02 +1.59e+05 Bruker_500 146 2.037 4.03 +3.75e+05 Bruker_500 147 0.964 4.03 +8.28e+05 Bruker_500 148 0.964 2.04 +2.08e+06 Bruker_500 149 4.030 2.04 +2.32e+05 Bruker_500 150 4.030 0.96 +2.93e+05 Bruker_500 151 2.037 0.96 +9.21e+05 Bruker_500 152 1.840 4.36 +1.03e+05 Bruker_500 153 1.731 4.36 +2.03e+05 Bruker_500 154 1.634 4.36 +2.33e+05 Bruker_500 155 7.582 1.84 +2.42e+05 Bruker_500 156 7.582 1.73 +2.75e+05 Bruker_500 158 1.840 7.58 +2.88e+05 Bruker_500 159 1.730 7.58 +2.88e+05 Bruker_500 163 0.888 1.84 +1.88e+06 Bruker_500 164 0.979 1.84 +7.24e+05 Bruker_500 170 0.888 1.63 +9.54e+05 Bruker_500 171 0.977 0.89 +3.30e+06 Bruker_500 172 0.888 0.98 +4.21e+06 Bruker_500 173 1.840 0.89 +1.04e+06 Bruker_500 175 1.634 0.89 +6.56e+05 Bruker_500 176 1.840 0.98 +3.99e+05 Bruker_500 177 1.731 0.98 +1.58e+05 Bruker_500 178 1.634 0.98 +2.36e+05 Bruker_500 179 1.819 4.05 +3.40e+05 Bruker_500 180 1.770 4.05 +6.60e+05 Bruker_500 181 1.698 4.05 +5.02e+05 Bruker_500 182 1.768 8.20 +5.38e+05 Bruker_500 183 1.820 8.20 +2.68e+05 Bruker_500 186 0.868 8.20 +1.56e+05 Bruker_500 189 4.047 1.82 +1.57e+05 Bruker_500 190 4.047 1.77 +3.11e+05 Bruker_500 191 4.047 1.70 +2.09e+05 Bruker_500 194 0.911 1.70 +4.95e+05 Bruker_500 195 0.868 1.70 +7.50e+05 Bruker_500 198 1.819 0.87 +6.09e+05 Bruker_500 199 1.698 0.87 +7.26e+05 Bruker_500 200 1.698 0.91 +5.74e+05 Bruker_500 201 1.819 0.91 +5.02e+05 Bruker_500 204 8.198 0.87 +1.15e+05 Bruker_500 205 8.198 0.91 +1.65e+05 Bruker_500 206 8.198 1.77 +6.07e+05 Bruker_500 208 8.198 1.82 +3.84e+05 Bruker_500 209 1.926 3.90 +4.25e+05 Bruker_500 210 1.846 3.90 +3.46e+05 Bruker_500 211 1.440 3.90 +1.81e+05 Bruker_500 213 1.926 8.16 +4.49e+05 Bruker_500 214 1.846 8.16 +2.96e+05 Bruker_500 216 1.439 8.16 +7.03e+04 Bruker_500 217 1.926 2.95 +4.79e+04 Bruker_500 218 1.846 2.95 +5.66e+04 Bruker_500 219 1.696 2.95 +4.84e+05 Bruker_500 220 1.440 2.95 +9.47e+04 Bruker_500 221 1.926 1.70 +4.33e+05 Bruker_500 222 1.697 1.93 +6.77e+05 Bruker_500 223 1.697 1.44 +1.20e+06 Bruker_500 224 1.440 1.70 +1.10e+06 Bruker_500 225 1.926 1.44 +1.86e+05 Bruker_500 226 1.846 1.44 +2.88e+05 Bruker_500 227 1.440 1.85 +2.47e+05 Bruker_500 228 1.440 1.93 +2.12e+05 Bruker_500 229 2.951 1.44 +1.45e+05 Bruker_500 230 2.952 1.70 +5.54e+05 Bruker_500 231 2.953 1.85 +4.25e+04 Bruker_500 232 2.951 1.93 +5.70e+04 Bruker_500 233 3.894 1.70 +1.29e+05 Bruker_500 234 3.896 1.85 +2.73e+05 Bruker_500 235 3.896 1.93 +4.05e+05 Bruker_500 236 3.896 1.44 +1.61e+05 Bruker_500 237 8.156 1.85 +4.48e+05 Bruker_500 238 8.156 1.93 +6.50e+05 Bruker_500 240 8.156 1.44 +1.01e+05 Bruker_500 241 1.882 3.98 +5.38e+05 Bruker_500 243 1.458 3.98 +1.40e+05 Bruker_500 244 1.882 7.56 +4.77e+05 Bruker_500 245 1.701 7.56 +2.41e+05 Bruker_500 246 1.458 7.56 +1.47e+05 Bruker_500 247 1.882 3.00 +5.79e+04 Bruker_500 248 1.701 3.00 +5.54e+05 Bruker_500 249 1.458 3.00 +1.35e+05 Bruker_500 250 1.701 1.88 +5.94e+05 Bruker_500 251 1.458 1.88 +2.84e+05 Bruker_500 252 1.458 1.70 +1.27e+06 Bruker_500 253 1.882 1.70 +5.14e+05 Bruker_500 254 1.882 1.46 +3.06e+05 Bruker_500 255 1.701 1.46 +1.36e+06 Bruker_500 256 2.996 1.46 +1.70e+05 Bruker_500 257 2.997 1.70 +4.11e+05 Bruker_500 258 2.996 1.88 +8.62e+04 Bruker_500 259 3.984 1.70 +4.72e+04 Bruker_500 260 3.984 1.88 +2.80e+05 Bruker_500 261 7.556 1.46 +1.71e+05 Bruker_500 262 7.556 1.70 +2.41e+05 Bruker_500 263 7.556 1.88 +6.03e+05 Bruker_500 264 7.075 4.10 +4.10e+04 Bruker_500 265 7.075 3.19 +1.97e+05 Bruker_500 266 7.075 1.97 +1.30e+05 Bruker_500 267 7.075 1.62 +9.69e+04 Bruker_500 268 3.191 7.07 +1.22e+05 Bruker_500 269 1.973 7.08 +7.32e+04 Bruker_500 270 1.619 7.08 +5.28e+04 Bruker_500 271 1.504 7.33 +9.96e+04 Bruker_500 272 1.626 7.33 +1.23e+05 Bruker_500 274 1.990 7.33 +4.57e+05 Bruker_500 275 1.990 4.14 +1.13e+06 Bruker_500 276 1.713 4.14 +4.77e+05 Bruker_500 278 1.503 4.14 +5.17e+05 Bruker_500 279 1.712 1.99 +6.27e+05 Bruker_500 280 1.626 1.99 +8.54e+05 Bruker_500 281 1.504 1.99 +7.25e+05 Bruker_500 283 1.504 1.71 +1.97e+06 Bruker_500 284 1.504 1.63 +1.66e+06 Bruker_500 285 1.991 1.50 +5.43e+05 Bruker_500 286 1.712 1.50 +1.85e+06 Bruker_500 287 1.626 1.50 +1.32e+06 Bruker_500 288 1.991 1.63 +8.34e+05 Bruker_500 289 1.991 1.71 +5.31e+05 Bruker_500 291 4.140 1.50 +1.19e+05 Bruker_500 292 4.139 1.63 +6.12e+04 Bruker_500 293 4.139 1.71 +1.04e+05 Bruker_500 294 4.140 1.99 +4.21e+05 Bruker_500 295 7.327 1.50 +1.35e+05 Bruker_500 296 7.327 1.63 +2.00e+05 Bruker_500 298 7.327 1.99 +8.21e+05 Bruker_500 299 2.317 4.21 +8.49e+04 Bruker_500 300 1.836 4.21 +1.24e+05 Bruker_500 301 1.614 4.21 +2.24e+05 Bruker_500 302 3.085 7.45 +5.59e+04 Bruker_500 303 1.834 3.09 +3.01e+05 Bruker_500 304 1.614 3.09 +1.19e+05 Bruker_500 305 3.087 2.32 +5.11e+04 Bruker_500 306 1.835 2.32 +1.51e+05 Bruker_500 307 1.614 2.32 +9.38e+04 Bruker_500 308 1.614 1.84 +1.98e+06 Bruker_500 309 1.836 1.61 +1.78e+06 Bruker_500 310 2.317 1.84 +9.50e+04 Bruker_500 311 3.087 1.61 +1.30e+05 Bruker_500 312 3.087 1.84 +2.49e+05 Bruker_500 313 4.212 1.61 +4.58e+04 Bruker_500 314 4.211 2.32 +3.94e+04 Bruker_500 315 2.318 1.97 +4.71e+05 Bruker_500 316 1.971 2.32 +4.80e+05 Bruker_500 317 1.971 3.09 +3.06e+04 Bruker_500 318 1.971 1.84 +1.03e+06 Bruker_500 319 1.837 1.97 +1.24e+06 Bruker_500 320 7.448 3.09 +3.33e+04 Bruker_500 321 7.439 3.00 +2.11e+05 Bruker_500 322 2.952 7.44 +1.48e+05 Bruker_500 323 7.439 2.95 +2.76e+05 Bruker_500 324 2.019 3.69 +1.15e+05 Bruker_500 325 3.692 2.02 +1.19e+05 Bruker_500 326 3.984 1.51 +3.26e+05 Bruker_500 327 4.030 1.97 +2.84e+05 Bruker_500 328 1.731 3.69 +1.51e+05 Bruker_500 331 3.691 1.73 +1.60e+05 Bruker_500 332 3.897 1.73 +1.43e+05 Bruker_500 333 1.731 3.90 +1.69e+05 Bruker_500 334 7.548 2.06 +3.76e+05 Bruker_500 335 7.548 1.54 +5.06e+05 Bruker_500 336 4.139 1.54 +1.15e+05 Bruker_500 337 4.139 2.07 +1.19e+05 Bruker_500 338 7.488 2.97 +3.98e+05 Bruker_500 339 2.967 7.49 +2.33e+05 Bruker_500 340 2.967 1.54 +3.59e+05 Bruker_500 341 2.967 2.07 +4.28e+04 Bruker_500 342 2.966 4.14 +7.32e+04 Bruker_500 343 2.065 4.14 +2.97e+05 Bruker_500 344 1.537 4.14 +3.51e+05 Bruker_500 345 2.065 7.55 +2.57e+05 Bruker_500 346 1.537 7.55 +3.51e+05 Bruker_500 347 1.537 2.97 +3.48e+05 Bruker_500 348 1.537 2.06 +2.37e+05 Bruker_500 349 2.065 1.54 +2.22e+05 Bruker_500 350 7.599 1.36 +2.23e+05 Bruker_500 351 1.364 7.60 +1.20e+05 Bruker_500 352 1.364 4.20 +1.00e+05 Bruker_500 353 4.197 1.36 +4.58e+04 Bruker_500 354 1.364 2.02 +8.29e+04 Bruker_500 355 2.018 1.36 +7.23e+04 Bruker_500 356 0.871 1.36 +1.76e+05 Bruker_500 357 8.631 1.58 +1.02e+05 Bruker_500 358 8.631 1.30 +8.43e+04 Bruker_500 360 1.300 4.03 +1.20e+05 Bruker_500 361 1.577 2.04 +3.76e+05 Bruker_500 362 1.301 2.04 +5.83e+04 Bruker_500 363 1.301 1.58 +6.68e+05 Bruker_500 364 0.964 1.58 +6.66e+05 Bruker_500 365 0.964 1.30 +6.94e+05 Bruker_500 366 1.579 1.30 +6.50e+05 Bruker_500 367 2.037 1.58 +2.49e+05 Bruker_500 368 1.577 0.96 +3.64e+05 Bruker_500 369 1.300 0.96 +5.56e+05 Bruker_500 370 4.030 1.30 +5.00e+04 Bruker_500 371 4.030 1.58 +1.31e+05 Bruker_500 372 3.692 1.14 +2.19e+05 Bruker_500 373 8.124 1.14 +1.88e+05 Bruker_500 374 1.140 8.12 +8.56e+04 Bruker_500 375 1.140 3.69 +1.46e+05 Bruker_500 376 1.140 1.95 +1.10e+05 Bruker_500 377 1.947 1.14 +1.18e+05 Bruker_500 378 1.139 0.80 +3.45e+05 Bruker_500 379 0.805 1.14 +7.00e+05 Bruker_500 380 0.891 4.06 +9.57e+05 Bruker_500 381 0.872 4.06 +7.78e+05 Bruker_500 382 1.964 4.06 +4.59e+05 Bruker_500 383 8.220 0.87 +1.07e+05 Bruker_500 385 8.220 1.96 +3.53e+05 Bruker_500 386 3.895 0.90 +2.45e+05 Bruker_500 387 3.894 0.80 +1.43e+05 Bruker_500 388 3.691 1.36 +9.81e+04 Bruker_500 389 1.363 3.69 +6.10e+04 Bruker_500 390 1.948 8.49 +6.87e+04 Bruker_500 391 1.768 8.49 +2.58e+05 Bruker_500 392 1.698 8.49 +1.70e+05 Bruker_500 393 8.492 1.95 +1.06e+05 Bruker_500 394 8.493 1.70 +2.43e+05 Bruker_500 395 8.493 1.77 +3.26e+05 Bruker_500 396 7.730 1.88 +3.04e+05 Bruker_500 * ; 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 . 'not observed' 20.00 ppm . . . 4.701 . . 31045 1 2 . . H 1 H . 'not observed' 20.00 ppm . . . 4.701 . . 31045 1 stop_ save_