######################### # 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 30535 _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 3 _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 5.362 8.652 1 T 7.310e+05 0.00e+00 a 0 0 0 0 2 5.399 8.660 1 T 4.163e+05 0.00e+00 a 0 0 0 0 3 0.813 8.867 1 T 1.278e+05 0.00e+00 a 0 0 0 0 4 0.689 8.869 1 T 5.175e+04 0.00e+00 a 0 0 0 0 5 1.019 8.893 1 T 6.859e+04 0.00e+00 a 0 0 0 0 6 0.935 8.952 1 T 7.244e+04 0.00e+00 a 0 0 0 0 7 0.811 8.953 1 T 8.890e+04 0.00e+00 a 0 0 0 0 8 1.019 9.017 1 T 1.671e+05 0.00e+00 a 0 0 0 0 9 1.540 8.994 1 T 2.687e+05 0.00e+00 a 0 0 0 0 10 1.373 8.996 1 T 1.000e+05 0.00e+00 a 0 0 0 0 11 1.663 8.953 1 T 1.439e+05 0.00e+00 a 0 0 0 0 12 1.725 8.894 1 T 1.422e+05 0.00e+00 a 0 0 0 0 13 1.615 8.894 1 T 8.798e+04 0.00e+00 a 0 0 0 0 14 1.962 8.868 1 T 9.944e+04 0.00e+00 a 0 0 0 0 15 2.435 8.868 1 T 1.362e+05 0.00e+00 a 0 0 0 0 16 2.582 8.894 1 T 1.868e+05 0.00e+00 a 0 0 0 0 17 2.883 9.018 1 T 1.695e+05 0.00e+00 a 0 0 0 0 18 2.789 9.018 1 T 1.835e+05 0.00e+00 a 0 0 0 0 19 2.903 8.952 1 T 1.627e+05 0.00e+00 a 0 0 0 0 20 2.986 8.895 1 T 8.712e+04 0.00e+00 a 0 0 0 0 21 2.805 8.894 1 T 4.686e+04 0.00e+00 a 0 0 0 0 22 2.944 8.869 1 T 7.294e+04 0.00e+00 a 0 0 0 0 23 3.557 8.952 1 T 6.090e+05 0.00e+00 a 0 0 0 0 24 4.933 8.995 1 T 7.951e+05 0.00e+00 a 0 0 0 0 25 4.551 8.951 1 T 6.031e+05 0.00e+00 a 0 0 0 0 26 4.571 8.892 1 T 1.125e+05 0.00e+00 a 0 0 0 0 27 4.330 8.872 1 T 1.248e+05 0.00e+00 a 0 0 0 0 28 5.533 8.867 1 T 7.948e+05 0.00e+00 a 0 0 0 0 29 5.389 8.893 1 T 8.914e+05 0.00e+00 a 0 0 0 0 30 5.102 8.895 1 T 1.211e+05 0.00e+00 a 0 0 0 0 31 8.429 9.019 1 T 4.719e+04 0.00e+00 a 0 0 0 0 32 8.361 8.951 1 T 9.977e+04 0.00e+00 a 0 0 0 0 33 7.971 8.797 1 T 5.054e+04 0.00e+00 a 0 0 0 0 34 7.952 8.660 1 T 5.382e+04 0.00e+00 a 0 0 0 0 35 7.796 8.744 1 T 2.889e+04 0.00e+00 a 0 0 0 0 36 7.796 8.646 1 T 1.336e+05 0.00e+00 a 0 0 0 0 37 7.081 8.645 1 T 5.350e+04 0.00e+00 a 0 0 0 0 38 6.998 8.796 1 T 4.976e+04 0.00e+00 a 0 0 0 0 39 7.083 8.952 1 T 4.593e+04 0.00e+00 a 0 0 0 0 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0.00e+00 a 0 0 0 0 82 8.358 7.795 1 T 2.948e+05 0.00e+00 a 0 0 0 0 83 1.021 8.434 1 T 6.462e+04 0.00e+00 a 0 0 0 0 84 0.814 8.434 1 T 6.702e+04 0.00e+00 a 0 0 0 0 85 0.691 8.434 1 T 8.867e+04 0.00e+00 a 0 0 0 0 86 1.772 8.459 1 T 5.099e+04 0.00e+00 a 0 0 0 0 87 1.701 8.460 1 T 4.432e+04 0.00e+00 a 0 0 0 0 88 1.586 8.459 1 T 4.294e+04 0.00e+00 a 0 0 0 0 89 1.965 8.434 1 T 1.821e+05 0.00e+00 a 0 0 0 0 90 2.881 8.465 1 T 2.721e+04 0.00e+00 a 0 0 0 0 91 2.825 8.463 1 T 3.517e+04 0.00e+00 a 0 0 0 0 92 3.894 8.465 1 T 3.950e+05 0.00e+00 a 0 0 0 0 93 3.862 8.432 1 T 4.562e+05 0.00e+00 a 0 0 0 0 94 4.330 8.434 1 T 8.945e+05 0.00e+00 a 0 0 0 0 95 4.187 8.461 1 T 3.988e+05 0.00e+00 a 0 0 0 0 96 4.551 8.354 1 T 4.293e+04 0.00e+00 a 0 0 0 0 97 4.252 8.355 1 T 5.686e+04 0.00e+00 a 0 0 0 0 98 3.937 8.357 1 T 3.666e+05 0.00e+00 a 0 0 0 0 99 3.557 8.357 1 T 1.650e+05 0.00e+00 a 0 0 0 0 100 2.908 8.359 1 T 4.990e+04 0.00e+00 a 0 0 0 0 101 4.216 8.203 1 T 7.730e+04 0.00e+00 a 0 0 0 0 102 3.888 8.212 1 T 1.624e+05 0.00e+00 a 0 0 0 0 103 1.648 8.213 1 T 5.736e+04 0.00e+00 a 0 0 0 0 104 1.774 7.970 1 T 1.469e+05 0.00e+00 a 0 0 0 0 105 1.695 7.971 1 T 1.856e+05 0.00e+00 a 0 0 0 0 106 1.596 7.971 1 T 7.088e+04 0.00e+00 a 0 0 0 0 107 2.827 7.971 1 T 1.782e+05 0.00e+00 a 0 0 0 0 108 4.373 7.951 1 T 2.125e+05 0.00e+00 a 0 0 0 0 109 4.188 7.969 1 T 1.270e+05 0.00e+00 a 0 0 0 0 110 5.390 7.971 1 T 9.858e+04 0.00e+00 a 0 0 0 0 111 5.102 7.972 1 T 6.500e+05 0.00e+00 a 0 0 0 0 112 4.558 7.795 1 T 1.347e+05 0.00e+00 a 0 0 0 0 113 3.936 7.795 1 T 8.800e+04 0.00e+00 a 0 0 0 0 114 2.905 7.796 1 T 4.989e+04 0.00e+00 a 0 0 0 0 115 2.217 7.796 1 T 4.804e+04 0.00e+00 a 0 0 0 0 116 2.141 7.797 1 T 3.681e+04 0.00e+00 a 0 0 0 0 117 1.910 7.795 1 T 1.570e+05 0.00e+00 a 0 0 0 0 118 1.788 7.796 1 T 1.729e+05 0.00e+00 a 0 0 0 0 119 1.661 7.797 1 T 6.378e+04 0.00e+00 a 0 0 0 0 120 1.554 7.799 1 T 3.913e+04 0.00e+00 a 0 0 0 0 121 1.464 7.797 1 T 3.525e+04 0.00e+00 a 0 0 0 0 122 6.751 7.439 1 T 2.538e+06 0.00e+00 a 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1.018 1 T 6.842e+04 0.00e+00 a 0 0 0 0 249 8.434 0.810 1 T 5.585e+04 0.00e+00 a 0 0 0 0 250 8.433 0.685 1 T 7.599e+04 0.00e+00 a 0 0 0 0 251 9.021 1.016 1 T 1.378e+05 0.00e+00 a 0 0 0 0 252 9.006 0.743 1 T 5.140e+04 0.00e+00 a 0 0 0 0 253 8.962 0.812 1 T 5.921e+04 0.00e+00 a 0 0 0 0 254 8.952 0.924 1 T 3.840e+04 0.00e+00 a 0 0 0 0 255 8.894 1.015 1 T 5.703e+04 0.00e+00 a 0 0 0 0 256 8.869 0.811 1 T 1.106e+05 0.00e+00 a 0 0 0 0 257 8.872 0.686 1 T 4.560e+04 0.00e+00 a 0 0 0 0 258 8.780 0.742 1 T 5.486e+04 0.00e+00 a 0 0 0 0 259 8.635 0.823 1 T 3.594e+04 0.00e+00 a 0 0 0 0 260 8.640 0.758 1 T 5.121e+04 0.00e+00 a 0 0 0 0 261 7.084 0.810 1 T 4.587e+04 0.00e+00 a 0 0 0 0 262 7.076 0.743 1 T 6.450e+04 0.00e+00 a 0 0 0 0 263 7.080 0.681 1 T 3.430e+04 0.00e+00 a 0 0 0 0 264 7.001 0.747 1 T 5.957e+04 0.00e+00 a 0 0 0 0 265 6.999 0.682 1 T 3.057e+04 0.00e+00 a 0 0 0 0 266 6.712 0.809 1 T 4.400e+04 0.00e+00 a 0 0 0 0 267 6.701 0.747 1 T 5.320e+04 0.00e+00 a 0 0 0 0 268 6.699 0.684 1 T 3.834e+04 0.00e+00 a 0 0 0 0 269 7.069 1.668 1 T 4.814e+04 0.00e+00 a 0 0 0 0 270 7.081 1.467 1 T 3.987e+04 0.00e+00 a 0 0 0 0 271 7.048 1.366 1 T 6.389e+04 0.00e+00 a 0 0 0 0 272 6.998 1.536 1 T 5.927e+04 0.00e+00 a 0 0 0 0 273 6.722 1.462 1 T 4.004e+04 0.00e+00 a 0 0 0 0 274 6.695 1.958 1 T 3.591e+04 0.00e+00 a 0 0 0 0 275 6.694 1.536 1 T 6.652e+04 0.00e+00 a 0 0 0 0 276 3.556 0.924 1 T 7.496e+04 0.00e+00 a 0 0 0 0 277 3.557 0.807 1 T 5.518e+04 0.00e+00 a 0 0 0 0 278 4.328 0.812 1 T 9.403e+04 0.00e+00 a 0 0 0 0 279 4.327 0.685 1 T 1.183e+05 0.00e+00 a 0 0 0 0 280 4.932 1.656 1 T 9.629e+04 0.00e+00 a 0 0 0 0 281 4.934 1.534 1 T 1.508e+05 0.00e+00 a 0 0 0 0 282 4.934 1.368 1 T 1.710e+05 0.00e+00 a 0 0 0 0 283 5.387 1.013 1 T 4.101e+04 0.00e+00 a 0 0 0 0 284 4.934 1.014 1 T 5.430e+04 0.00e+00 a 0 0 0 0 285 4.742 1.015 1 T 2.706e+04 0.00e+00 a 0 0 0 0 286 3.551 2.217 1 T 5.084e+04 0.00e+00 a 0 0 0 0 287 4.332 1.957 1 T 1.513e+05 0.00e+00 a 0 0 0 0 288 4.558 1.899 1 T 1.029e+05 0.00e+00 a 0 0 0 0 289 4.191 1.766 1 T 9.984e+04 0.00e+00 a 0 0 0 0 290 4.192 1.690 1 T 9.047e+04 0.00e+00 a 0 0 0 0 291 4.186 1.593 1 T 9.124e+04 0.00e+00 a 0 0 0 0 292 0.820 1.948 1 T 1.474e+05 0.00e+00 a 0 0 0 0 293 0.686 1.942 1 T 1.608e+05 0.00e+00 a 0 0 0 0 294 2.586 1.016 1 T 2.874e+05 0.00e+00 a 0 0 0 0 295 1.493 2.797 1 T 7.601e+04 0.00e+00 a 0 0 0 0 296 2.438 1.365 1 T 1.097e+05 0.00e+00 a 0 0 0 0 297 0.939 1.674 1 T 4.877e+04 0.00e+00 a 0 0 0 0 298 0.935 1.636 1 T 8.299e+04 0.00e+00 a 0 0 0 0 299 0.934 1.484 1 T 1.368e+05 0.00e+00 a 0 0 0 0 300 3.864 1.019 1 T 5.002e+05 0.00e+00 a 0 0 0 0 301 3.554 1.656 1 T 2.174e+05 0.00e+00 a 0 0 0 0 302 4.700 0.741 1 T 5.295e+04 0.00e+00 a 0 0 0 0 303 1.664 8.357 1 T 4.999e+05 0.00e+00 a 0 0 0 0 304 2.219 8.357 1 T 1.796e+05 0.00e+00 a 0 0 0 0 305 2.140 8.358 1 T 1.123e+05 0.00e+00 a 0 0 0 0 306 1.020 8.793 1 T 2.131e+04 0.00e+00 a 0 0 0 0 307 1.962 8.998 1 T 1.865e+04 0.00e+00 a 0 0 0 0 308 2.434 8.994 1 T 2.521e+04 0.00e+00 a 0 0 0 0 309 2.580 9.019 1 T 2.891e+04 0.00e+00 a 0 0 0 0 310 3.857 9.017 1 T 4.127e+04 0.00e+00 a 0 0 0 0 311 4.938 8.874 1 T 2.130e+04 0.00e+00 a 0 0 0 0 312 5.390 9.015 1 T 3.272e+04 0.00e+00 a 0 0 0 0 314 5.532 8.994 1 T 2.778e+04 0.00e+00 a 0 0 0 0 315 5.107 8.667 1 T 2.034e+04 0.00e+00 a 0 0 0 0 316 2.518 7.952 1 T 2.217e+04 0.00e+00 a 0 0 0 0 317 2.339 7.953 1 T 2.901e+04 0.00e+00 a 0 0 0 0 318 2.003 7.953 1 T 2.165e+04 0.00e+00 a 0 0 0 0 319 2.667 7.795 1 T 2.233e+04 0.00e+00 a 0 0 0 0 320 3.555 7.796 1 T 1.567e+04 0.00e+00 a 0 0 0 0 321 3.152 7.797 1 T 1.481e+04 0.00e+00 a 0 0 0 0 322 5.358 7.796 1 T 2.816e+04 0.00e+00 a 0 0 0 0 324 1.721 9.017 1 T 3.595e+04 0.00e+00 a 0 0 0 0 325 0.711 8.997 1 T 3.100e+04 0.00e+00 a 0 0 0 0 326 2.670 8.358 1 T 2.152e+04 0.00e+00 a 0 0 0 0 327 0.812 8.651 1 T 1.761e+04 0.00e+00 a 0 0 0 0 328 7.806 8.952 1 T 1.905e+04 0.00e+00 a 0 0 0 0 329 7.980 8.896 1 T 2.225e+04 0.00e+00 a 0 0 0 0 330 9.005 8.801 1 T 4.738e+04 0.00e+00 a 0 0 0 0 331 9.017 8.434 1 T 2.628e+04 0.00e+00 a 0 0 0 0 332 8.443 6.991 1 T 1.893e+04 0.00e+00 a 0 0 0 0 333 8.200 6.994 1 T 1.786e+04 0.00e+00 a 0 0 0 0 334 7.952 6.989 1 T 2.280e+04 0.00e+00 a 0 0 0 0 335 9.010 6.690 1 T 2.678e+04 0.00e+00 a 0 0 0 0 336 2.428 7.046 1 T 2.317e+04 0.00e+00 a 0 0 0 0 337 2.669 5.530 1 T 3.091e+04 0.00e+00 a 0 0 0 0 338 2.825 5.389 1 T 3.154e+04 0.00e+00 a 0 0 0 0 339 2.433 5.357 1 T 2.172e+04 0.00e+00 a 0 0 0 0 340 2.825 5.125 1 T 3.825e+04 0.00e+00 a 0 0 0 0 341 1.017 5.387 1 T 1.640e+04 0.00e+00 a 0 0 0 0 342 7.973 5.101 1 T 1.108e+05 0.00e+00 a 0 0 0 0 343 7.970 5.386 1 T 5.448e+04 0.00e+00 a 0 0 0 0 344 8.892 5.096 1 T 2.822e+04 0.00e+00 a 0 0 0 0 345 8.792 5.075 1 T 3.153e+04 0.00e+00 a 0 0 0 0 346 8.787 5.346 1 T 4.744e+04 0.00e+00 a 0 0 0 0 347 8.865 4.314 1 T 4.332e+04 0.00e+00 a 0 0 0 0 348 8.659 4.365 1 T 5.287e+04 0.00e+00 a 0 0 0 0 349 8.434 4.323 1 T 1.405e+05 0.00e+00 a 0 0 0 0 350 8.462 4.183 1 T 1.737e+05 0.00e+00 a 0 0 0 0 351 8.217 4.226 1 T 5.608e+04 0.00e+00 a 0 0 0 0 352 7.973 4.199 1 T 3.866e+04 0.00e+00 a 0 0 0 0 353 7.953 4.367 1 T 2.421e+04 0.00e+00 a 0 0 0 0 354 7.963 3.887 1 T 1.962e+04 0.00e+00 a 0 0 0 0 355 7.796 3.932 1 T 5.885e+04 0.00e+00 a 0 0 0 0 356 9.013 3.859 1 T 4.141e+04 0.00e+00 a 0 0 0 0 357 7.961 3.129 1 T 2.274e+04 0.00e+00 a 0 0 0 0 358 8.904 3.133 1 T 2.435e+04 0.00e+00 a 0 0 0 0 359 8.593 3.130 1 T 2.108e+04 0.00e+00 a 0 0 0 0 360 7.957 2.341 1 T 3.016e+04 0.00e+00 a 0 0 0 0 361 7.956 2.519 1 T 1.735e+04 0.00e+00 a 0 0 0 0 362 8.656 2.342 1 T 2.699e+04 0.00e+00 a 0 0 0 0 363 7.801 1.552 1 T 3.289e+04 0.00e+00 a 0 0 0 0 364 7.796 1.458 1 T 2.584e+04 0.00e+00 a 0 0 0 0 365 8.786 1.011 1 T 2.671e+04 0.00e+00 a 0 0 0 0 366 8.638 1.022 1 T 2.803e+04 0.00e+00 a 0 0 0 0 367 5.531 0.813 1 T 3.479e+04 0.00e+00 a 0 0 0 0 368 5.372 0.808 1 T 2.399e+04 0.00e+00 a 0 0 0 0 369 5.537 1.540 1 T 2.488e+04 0.00e+00 a 0 0 0 0 370 5.367 1.535 1 T 3.754e+04 0.00e+00 a 0 0 0 0 371 5.106 1.770 1 T 1.804e+04 0.00e+00 a 0 0 0 0 372 5.100 1.693 1 T 2.429e+04 0.00e+00 a 0 0 0 0 373 5.110 1.597 1 T 1.797e+04 0.00e+00 a 0 0 0 0 374 5.082 1.552 1 T 1.676e+04 0.00e+00 a 0 0 0 0 375 3.935 2.215 1 T 5.408e+05 0.00e+00 a 0 0 0 0 376 3.933 2.134 1 T 1.709e+05 0.00e+00 a 0 0 0 0 377 2.517 1.987 1 T 4.969e+05 0.00e+00 a 0 0 0 0 378 2.540 4.370 1 T 4.179e+04 0.00e+00 a 0 0 0 0 379 1.963 4.328 1 T 3.909e+04 0.00e+00 a 0 0 0 0 380 1.781 4.183 1 T 5.476e+04 0.00e+00 a 0 0 0 0 381 1.696 4.171 1 T 3.541e+04 0.00e+00 a 0 0 0 0 382 0.979 3.704 1 T 2.113e+04 0.00e+00 a 0 0 0 0 383 1.056 4.015 1 T 1.861e+04 0.00e+00 a 0 0 0 0 384 4.710 2.877 1 T 6.605e+04 0.00e+00 a 0 0 0 0 385 4.711 2.790 1 T 8.151e+04 0.00e+00 a 0 0 0 0 386 6.709 2.810 1 T 3.050e+04 0.00e+00 a 0 0 0 0 387 1.293 2.260 1 T 2.435e+04 0.00e+00 a 0 0 0 0 388 5.099 2.574 1 T 4.178e+04 0.00e+00 a 0 0 0 0 389 6.689 9.000 1 T 2.075e+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 . aliased 16 ppm . . . 4.7 . . 30535 1 2 . . H 1 H . . 16 ppm . . . 4.7 . . 30535 1 stop_ save_