######################### # 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 30536 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 4 _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 ; # Number of dimensions 2 # INAME 1 H # INAME 2 h # CYANAFORMAT Hh 1 4.488 7.997 1 T 1.307e+05 0.00e+00 a 0 0 0 0 2 4.883 9.082 1 T 8.901e+05 0.00e+00 a 0 0 0 0 3 5.053 9.065 1 T 8.160e+05 0.00e+00 a 0 0 0 0 4 5.213 9.080 1 T 1.999e+04 0.00e+00 a 0 0 0 0 5 5.489 9.079 1 T 2.151e+04 0.00e+00 a 0 0 0 0 7 3.991 9.081 1 T 2.873e+04 0.00e+00 a 0 0 0 0 8 3.010 9.082 1 T 1.342e+05 0.00e+00 a 0 0 0 0 9 2.906 9.083 1 T 1.506e+05 0.00e+00 a 0 0 0 0 10 2.713 9.082 1 T 1.961e+04 0.00e+00 a 0 0 0 0 11 2.567 9.064 1 T 1.880e+04 0.00e+00 a 0 0 0 0 12 1.795 9.068 1 T 3.729e+04 0.00e+00 a 0 0 0 0 13 1.655 9.065 1 T 2.218e+05 0.00e+00 a 0 0 0 0 14 1.500 9.066 1 T 7.478e+04 0.00e+00 a 0 0 0 0 15 2.093 9.065 1 T 1.297e+04 0.00e+00 a 0 0 0 0 16 1.141 9.082 1 T 1.256e+05 0.00e+00 a 0 0 0 0 17 0.937 9.069 1 T 2.760e+04 0.00e+00 a 0 0 0 0 18 0.863 9.069 1 T 2.462e+04 0.00e+00 a 0 0 0 0 19 5.667 9.067 1 T 2.734e+04 0.00e+00 a 0 0 0 0 20 7.110 9.080 1 T 4.680e+04 0.00e+00 a 0 0 0 0 21 9.067 5.052 1 T 8.528e+04 0.00e+00 a 0 0 0 0 22 9.082 3.985 1 T 2.795e+04 0.00e+00 a 0 0 0 0 23 9.085 3.004 1 T 1.125e+05 0.00e+00 a 0 0 0 0 24 9.085 2.909 1 T 1.174e+05 0.00e+00 a 0 0 0 0 25 9.085 2.729 1 T 1.348e+04 0.00e+00 a 0 0 0 0 26 9.073 3.111 1 T 1.238e+04 0.00e+00 a 0 0 0 0 27 9.069 1.779 1 T 2.689e+04 0.00e+00 a 0 0 0 0 28 9.066 1.652 1 T 1.750e+05 0.00e+00 a 0 0 0 0 29 9.067 1.572 1 T 3.066e+04 0.00e+00 a 0 0 0 0 30 9.068 1.499 1 T 4.460e+04 0.00e+00 a 0 0 0 0 31 9.084 1.140 1 T 1.086e+05 0.00e+00 a 0 0 0 0 32 9.069 0.940 1 T 3.238e+04 0.00e+00 a 0 0 0 0 34 7.109 3.002 1 T 1.334e+05 0.00e+00 a 0 0 0 0 35 7.109 2.910 1 T 1.469e+05 0.00e+00 a 0 0 0 0 36 4.883 3.007 1 T 2.281e+05 0.00e+00 a 0 0 0 0 37 4.888 2.903 1 T 1.387e+05 0.00e+00 a 0 0 0 0 38 5.053 1.781 1 T 7.804e+04 0.00e+00 a 0 0 0 0 39 5.053 1.500 1 T 1.028e+05 0.00e+00 a 0 0 0 0 40 5.051 1.659 1 T 8.769e+04 0.00e+00 a 0 0 0 0 41 4.884 1.652 1 T 1.435e+04 0.00e+00 a 0 0 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2.632e+04 0.00e+00 a 0 0 0 0 84 8.987 5.650 1 T 5.000e+05 0.00e+00 a 0 0 0 0 85 8.971 5.489 1 T 4.245e+05 0.00e+00 a 0 0 0 0 86 8.969 5.217 1 T 2.294e+04 0.00e+00 a 0 0 0 0 87 8.988 4.445 1 T 2.064e+04 0.00e+00 a 0 0 0 0 88 8.978 3.694 1 T 4.311e+05 0.00e+00 a 0 0 0 0 89 8.970 2.724 1 T 7.884e+04 0.00e+00 a 0 0 0 0 90 8.970 2.702 1 T 7.429e+04 0.00e+00 a 0 0 0 0 91 8.987 2.561 1 T 6.247e+04 0.00e+00 a 0 0 0 0 92 8.986 2.580 1 T 5.936e+04 0.00e+00 a 0 0 0 0 93 8.985 2.092 1 T 4.992e+04 0.00e+00 a 0 0 0 0 94 8.970 1.876 1 T 4.294e+04 0.00e+00 a 0 0 0 0 95 8.968 1.138 1 T 5.031e+04 0.00e+00 a 0 0 0 0 96 8.988 0.941 1 T 7.806e+04 0.00e+00 a 0 0 0 0 97 8.977 0.995 1 T 2.935e+04 0.00e+00 a 0 0 0 0 98 8.979 1.087 1 T 2.662e+04 0.00e+00 a 0 0 0 0 99 8.981 1.646 1 T 4.578e+04 0.00e+00 a 0 0 0 0 100 8.969 1.733 1 T 2.989e+04 0.00e+00 a 0 0 0 0 101 8.976 1.806 1 T 1.047e+05 0.00e+00 a 0 0 0 0 102 8.065 8.848 1 T 2.312e+04 0.00e+00 a 0 0 0 0 103 7.111 8.844 1 T 1.860e+04 0.00e+00 a 0 0 0 0 104 5.221 8.848 1 T 6.749e+04 0.00e+00 a 0 0 0 0 105 4.884 8.843 1 T 7.488e+05 0.00e+00 a 0 0 0 0 106 5.470 8.815 1 T 9.105e+04 0.00e+00 a 0 0 0 0 107 2.955 8.843 1 T 3.146e+05 0.00e+00 a 0 0 0 0 108 2.806 8.809 1 T 5.788e+04 0.00e+00 a 0 0 0 0 109 3.052 8.809 1 T 2.243e+05 0.00e+00 a 0 0 0 0 110 1.646 8.809 1 T 6.892e+04 0.00e+00 a 0 0 0 0 111 1.143 8.843 1 T 1.481e+04 0.00e+00 a 0 0 0 0 112 0.872 8.811 1 T 2.714e+04 0.00e+00 a 0 0 0 0 113 2.033 8.761 1 T 3.593e+04 0.00e+00 a 0 0 0 0 114 1.911 8.764 1 T 3.828e+04 0.00e+00 a 0 0 0 0 115 1.594 8.766 1 T 1.509e+04 0.00e+00 a 0 0 0 0 116 1.665 8.765 1 T 1.685e+04 0.00e+00 a 0 0 0 0 117 4.744 8.809 1 T 7.269e+05 0.00e+00 a 0 0 0 0 118 8.840 5.193 1 T 2.852e+04 0.00e+00 a 0 0 0 0 119 8.806 2.816 1 T 8.513e+04 0.00e+00 a 0 0 0 0 120 8.807 1.654 1 T 6.000e+04 0.00e+00 a 0 0 0 0 121 8.842 1.143 1 T 1.500e+04 0.00e+00 a 0 0 0 0 122 3.695 8.409 1 T 1.425e+05 0.00e+00 a 0 0 0 0 123 3.687 7.878 1 T 1.685e+04 0.00e+00 a 0 0 0 0 124 8.059 5.218 1 T 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0 0 0 0 249 3.032 8.410 1 T 4.023e+04 0.00e+00 a 0 0 0 0 250 2.969 8.491 1 T 2.820e+04 0.00e+00 a 0 0 0 0 251 3.070 8.460 1 T 2.359e+04 0.00e+00 a 0 0 0 0 252 1.903 8.493 1 T 2.352e+04 0.00e+00 a 0 0 0 0 253 1.816 8.493 1 T 1.687e+04 0.00e+00 a 0 0 0 0 254 1.903 8.411 1 T 2.048e+04 0.00e+00 a 0 0 0 0 255 5.056 8.462 1 T 1.592e+04 0.00e+00 a 0 0 0 0 256 7.882 8.409 1 T 2.105e+05 0.00e+00 a 0 0 0 0 258 8.494 4.314 1 T 3.911e+04 0.00e+00 a 0 0 0 0 259 8.467 4.460 1 T 1.954e+04 0.00e+00 a 0 0 0 0 260 8.411 4.080 1 T 1.547e+05 0.00e+00 a 0 0 0 0 261 8.494 4.011 1 T 2.818e+05 0.00e+00 a 0 0 0 0 262 8.462 3.986 1 T 2.371e+05 0.00e+00 a 0 0 0 0 263 8.411 3.693 1 T 1.144e+05 0.00e+00 a 0 0 0 0 264 8.414 3.033 1 T 2.490e+04 0.00e+00 a 0 0 0 0 265 8.496 2.962 1 T 1.721e+04 0.00e+00 a 0 0 0 0 266 8.464 2.093 1 T 9.058e+04 0.00e+00 a 0 0 0 0 267 8.413 2.343 1 T 1.348e+05 0.00e+00 a 0 0 0 0 268 8.412 2.243 1 T 5.049e+04 0.00e+00 a 0 0 0 0 269 8.412 1.799 1 T 2.599e+05 0.00e+00 a 0 0 0 0 270 8.490 1.718 1 T 1.195e+04 0.00e+00 a 0 0 0 0 271 8.462 0.829 1 T 4.329e+04 0.00e+00 a 0 0 0 0 272 8.481 0.942 1 T 4.814e+04 0.00e+00 a 0 0 0 0 273 8.465 1.141 1 T 4.992e+04 0.00e+00 a 0 0 0 0 274 4.082 7.878 1 T 6.832e+04 0.00e+00 a 0 0 0 0 275 4.014 8.253 1 T 5.784e+04 0.00e+00 a 0 0 0 0 276 1.141 3.982 1 T 3.710e+05 0.00e+00 a 0 0 0 0 277 4.084 2.346 1 T 3.397e+05 0.00e+00 a 0 0 0 0 278 4.080 2.246 1 T 1.068e+05 0.00e+00 a 0 0 0 0 279 4.073 2.813 1 T 1.951e+04 0.00e+00 a 0 0 0 0 280 3.987 1.144 1 T 4.251e+05 0.00e+00 a 0 0 0 0 281 2.345 4.083 1 T 1.954e+05 0.00e+00 a 0 0 0 0 282 2.246 4.078 1 T 9.688e+04 0.00e+00 a 0 0 0 0 283 7.880 4.080 1 T 2.854e+04 0.00e+00 a 0 0 0 0 284 1.902 8.059 1 T 8.751e+04 0.00e+00 a 0 0 0 0 285 1.812 8.059 1 T 1.128e+05 0.00e+00 a 0 0 0 0 286 1.722 8.058 1 T 2.142e+04 0.00e+00 a 0 0 0 0 287 2.645 7.998 1 T 1.286e+04 0.00e+00 a 0 0 0 0 288 2.462 7.997 1 T 1.450e+04 0.00e+00 a 0 0 0 0 289 2.116 7.993 1 T 1.204e+04 0.00e+00 a 0 0 0 0 290 1.914 7.999 1 T 1.494e+04 0.00e+00 a 0 0 0 0 291 1.859 8.001 1 T 1.270e+04 0.00e+00 a 0 0 0 0 292 1.814 7.998 1 T 1.335e+04 0.00e+00 a 0 0 0 0 293 2.961 8.059 1 T 1.266e+05 0.00e+00 a 0 0 0 0 294 4.318 8.056 1 T 1.046e+05 0.00e+00 a 0 0 0 0 295 5.221 8.059 1 T 5.302e+05 0.00e+00 a 0 0 0 0 296 4.685 7.995 1 T 1.350e+04 0.00e+00 a 0 0 0 0 297 2.345 7.879 1 T 3.348e+04 0.00e+00 a 0 0 0 0 298 2.244 7.878 1 T 2.997e+04 0.00e+00 a 0 0 0 0 299 2.028 7.878 1 T 1.177e+05 0.00e+00 a 0 0 0 0 300 1.905 7.878 1 T 1.292e+05 0.00e+00 a 0 0 0 0 301 1.800 7.878 1 T 4.613e+04 0.00e+00 a 0 0 0 0 302 1.666 7.878 1 T 2.632e+04 0.00e+00 a 0 0 0 0 303 1.590 7.878 1 T 2.753e+04 0.00e+00 a 0 0 0 0 304 3.028 7.877 1 T 3.783e+04 0.00e+00 a 0 0 0 0 305 2.807 7.878 1 T 2.150e+04 0.00e+00 a 0 0 0 0 306 5.476 7.877 1 T 1.989e+04 0.00e+00 a 0 0 0 0 307 5.492 8.059 1 T 6.673e+04 0.00e+00 a 0 0 0 0 308 1.812 8.256 1 T 9.828e+03 0.00e+00 a 0 0 0 0 309 8.060 5.493 1 T 3.132e+04 0.00e+00 a 0 0 0 0 310 8.256 4.357 1 T 2.800e+04 0.00e+00 a 0 0 0 0 311 8.059 4.340 1 T 1.446e+04 0.00e+00 a 0 0 0 0 312 8.261 4.012 1 T 3.600e+04 0.00e+00 a 0 0 0 0 313 7.881 3.689 1 T 1.058e+04 0.00e+00 a 0 0 0 0 314 8.059 2.957 1 T 1.065e+05 0.00e+00 a 0 0 0 0 315 7.883 2.245 1 T 1.477e+04 0.00e+00 a 0 0 0 0 316 7.880 2.022 1 T 6.320e+04 0.00e+00 a 0 0 0 0 317 7.880 1.907 1 T 5.928e+04 0.00e+00 a 0 0 0 0 318 7.880 1.796 1 T 2.086e+04 0.00e+00 a 0 0 0 0 319 7.876 2.342 1 T 2.604e+04 0.00e+00 a 0 0 0 0 320 8.060 1.897 1 T 5.475e+04 0.00e+00 a 0 0 0 0 321 8.061 1.713 1 T 3.056e+04 0.00e+00 a 0 0 0 0 322 7.868 1.666 1 T 1.784e+04 0.00e+00 a 0 0 0 0 323 7.874 1.592 1 T 1.839e+04 0.00e+00 a 0 0 0 0 324 2.088 7.101 1 T 1.260e+04 0.00e+00 a 0 0 0 0 325 0.855 6.813 1 T 2.656e+04 0.00e+00 a 0 0 0 0 326 1.663 6.812 1 T 5.536e+04 0.00e+00 a 0 0 0 0 327 1.802 6.815 1 T 2.116e+04 0.00e+00 a 0 0 0 0 328 2.099 6.812 1 T 4.039e+04 0.00e+00 a 0 0 0 0 329 2.916 6.815 1 T 3.164e+04 0.00e+00 a 0 0 0 0 330 3.018 6.814 1 T 2.625e+04 0.00e+00 a 0 0 0 0 331 6.819 1.650 1 T 1.856e+04 0.00e+00 a 0 0 0 0 332 6.812 2.091 1 T 1.491e+04 0.00e+00 a 0 0 0 0 333 7.102 2.349 1 T 1.476e+04 0.00e+00 a 0 0 0 0 334 7.107 1.649 1 T 1.722e+04 0.00e+00 a 0 0 0 0 335 6.825 0.945 1 T 1.498e+04 0.00e+00 a 0 0 0 0 336 6.818 0.872 1 T 1.798e+04 0.00e+00 a 0 0 0 0 337 2.338 7.104 1 T 2.252e+04 0.00e+00 a 0 0 0 0 338 4.307 6.811 1 T 1.649e+04 0.00e+00 a 0 0 0 0 339 3.292 6.811 1 T 1.264e+04 0.00e+00 a 0 0 0 0 340 3.238 6.814 1 T 1.331e+04 0.00e+00 a 0 0 0 0 341 3.682 7.195 1 T 1.248e+04 0.00e+00 a 0 0 0 0 342 3.272 7.106 1 T 1.441e+04 0.00e+00 a 0 0 0 0 343 4.886 7.108 1 T 1.091e+05 0.00e+00 a 0 0 0 0 344 1.805 7.201 1 T 3.154e+04 0.00e+00 a 0 0 0 0 345 2.247 7.191 1 T 2.425e+04 0.00e+00 a 0 0 0 0 346 3.029 7.197 1 T 5.051e+05 0.00e+00 a 0 0 0 0 347 3.011 7.108 1 T 2.462e+05 0.00e+00 a 0 0 0 0 348 2.907 7.108 1 T 2.556e+05 0.00e+00 a 0 0 0 0 349 3.023 6.854 1 T 4.611e+04 0.00e+00 a 0 0 0 0 350 2.588 6.850 1 T 1.542e+04 0.00e+00 a 0 0 0 0 351 2.669 6.812 1 T 1.456e+04 0.00e+00 a 0 0 0 0 352 2.618 6.812 1 T 1.889e+04 0.00e+00 a 0 0 0 0 353 0.954 6.847 1 T 2.013e+04 0.00e+00 a 0 0 0 0 354 1.627 6.845 1 T 3.920e+04 0.00e+00 a 0 0 0 0 355 1.805 6.841 1 T 1.619e+04 0.00e+00 a 0 0 0 0 356 0.862 7.108 1 T 4.913e+04 0.00e+00 a 0 0 0 0 357 0.864 7.187 1 T 1.992e+04 0.00e+00 a 0 0 0 0 358 0.936 7.105 1 T 2.092e+04 0.00e+00 a 0 0 0 0 359 0.992 7.195 1 T 2.419e+04 0.00e+00 a 0 0 0 0 360 0.960 7.202 1 T 2.682e+04 0.00e+00 a 0 0 0 0 361 1.654 7.109 1 T 5.172e+04 0.00e+00 a 0 0 0 0 362 1.794 7.112 1 T 1.844e+04 0.00e+00 a 0 0 0 0 363 1.493 7.127 1 T 2.065e+04 0.00e+00 a 0 0 0 0 364 2.974 7.525 1 T 1.645e+04 0.00e+00 a 0 0 0 0 365 1.663 2.991 1 T 4.688e+04 0.00e+00 a 0 0 0 0 366 2.348 2.855 1 T 2.409e+04 0.00e+00 a 0 0 0 0 367 2.123 2.856 1 T 1.446e+04 0.00e+00 a 0 0 0 0 368 2.348 2.766 1 T 2.399e+04 0.00e+00 a 0 0 0 0 369 0.989 1.763 1 T 4.850e+04 0.00e+00 a 0 0 0 0 370 1.099 1.800 1 T 1.040e+05 0.00e+00 a 0 0 0 0 371 1.499 1.773 1 T 3.929e+05 0.00e+00 a 0 0 0 0 372 1.099 1.623 1 T 1.029e+05 0.00e+00 a 0 0 0 0 373 0.989 1.622 1 T 6.112e+04 0.00e+00 a 0 0 0 0 374 1.785 1.507 1 T 3.947e+05 0.00e+00 a 0 0 0 0 375 2.637 2.114 1 T 4.873e+05 0.00e+00 a 0 0 0 0 376 2.454 2.141 1 T 1.514e+05 0.00e+00 a 0 0 0 0 377 2.642 4.493 1 T 2.963e+04 0.00e+00 a 0 0 0 0 378 2.128 2.648 1 T 4.868e+05 0.00e+00 a 0 0 0 0 379 4.715 1.138 1 T 1.963e+04 0.00e+00 a 0 0 0 0 380 4.702 0.940 1 T 1.448e+04 0.00e+00 a 0 0 0 0 381 4.706 0.861 1 T 4.925e+04 0.00e+00 a 0 0 0 0 382 4.740 1.652 1 T 1.643e+05 0.00e+00 a 0 0 0 0 383 1.791 5.063 1 T 2.447e+04 0.00e+00 a 0 0 0 0 384 1.662 5.066 1 T 1.863e+04 0.00e+00 a 0 0 0 0 385 1.142 5.494 1 T 1.508e+04 0.00e+00 a 0 0 0 0 386 1.661 5.652 1 T 1.009e+04 0.00e+00 a 0 0 0 0 387 1.495 5.645 1 T 9.872e+03 0.00e+00 a 0 0 0 0 388 0.936 5.650 1 T 1.835e+04 0.00e+00 a 0 0 0 0 389 2.807 5.652 1 T 2.755e+04 0.00e+00 a 0 0 0 0 390 2.714 5.491 1 T 1.539e+05 0.00e+00 a 0 0 0 0 391 2.965 5.206 1 T 4.578e+04 0.00e+00 a 0 0 0 0 392 2.959 5.244 1 T 5.150e+04 0.00e+00 a 0 0 0 0 393 3.049 5.452 1 T 5.969e+04 0.00e+00 a 0 0 0 0 394 2.966 5.492 1 T 3.398e+04 0.00e+00 a 0 0 0 0 395 3.121 5.526 1 T 2.924e+04 0.00e+00 a 0 0 0 0 396 7.337 7.784 1 T 2.342e+04 0.00e+00 a 0 0 0 0 397 7.100 7.656 1 T 4.406e+06 0.00e+00 a 0 0 0 0 398 6.821 7.498 1 T 2.805e+06 0.00e+00 a 0 0 0 0 399 7.199 1.003 1 T 1.070e+04 0.00e+00 a 0 0 0 0 400 7.200 0.945 1 T 1.130e+04 0.00e+00 a 0 0 0 0 401 7.193 0.871 1 T 1.518e+04 0.00e+00 a 0 0 0 0 402 7.124 0.869 1 T 2.274e+04 0.00e+00 a 0 0 0 0 403 7.132 0.943 1 T 1.334e+04 0.00e+00 a 0 0 0 0 404 7.078 0.869 1 T 1.736e+04 0.00e+00 a 0 0 0 0 405 2.570 1.498 1 T 9.301e+04 0.00e+00 a 0 0 0 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 . . 16 ppm . . . 4.7 . . 30536 1 2 . . H 1 H . . 16 ppm . . . 4.7 . . 30536 1 stop_ save_