######################### # 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 30534 _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 4.360 8.706 1 T 1.246e+06 0.00e+00 a 0 0 0 0 2 4.539 8.703 1 T 1.149e+06 0.00e+00 a 0 0 0 0 3 0.546 8.759 1 T 1.494e+05 0.00e+00 a 0 0 0 0 4 2.711 8.487 1 T 3.338e+05 0.00e+00 a 0 0 0 0 5 2.436 8.486 1 T 2.063e+05 0.00e+00 a 0 0 0 0 6 2.685 8.486 1 T 4.645e+05 0.00e+00 a 0 0 0 0 7 0.492 8.898 1 T 1.521e+05 0.00e+00 a 0 0 0 0 8 0.648 8.898 1 T 1.316e+05 0.00e+00 a 0 0 0 0 9 0.809 8.897 1 T 2.757e+05 0.00e+00 a 0 0 0 0 10 1.989 8.897 1 T 2.071e+04 0.00e+00 a 0 0 0 0 11 2.360 8.896 1 T 4.115e+04 0.00e+00 a 0 0 0 0 12 2.671 8.898 1 T 4.008e+05 0.00e+00 a 0 0 0 0 13 2.587 8.898 1 T 2.569e+05 0.00e+00 a 0 0 0 0 14 3.650 8.897 1 T 7.111e+04 0.00e+00 a 0 0 0 0 15 3.315 8.898 1 T 8.417e+05 0.00e+00 a 0 0 0 0 16 4.563 8.897 1 T 9.522e+05 0.00e+00 a 0 0 0 0 17 4.330 8.898 1 T 8.845e+05 0.00e+00 a 0 0 0 0 18 5.200 8.896 1 T 5.189e+04 0.00e+00 a 0 0 0 0 19 6.496 8.892 1 T 3.151e+04 0.00e+00 a 0 0 0 0 20 6.886 8.898 1 T 9.870e+04 0.00e+00 a 0 0 0 0 21 6.781 8.895 1 T 1.321e+05 0.00e+00 a 0 0 0 0 22 7.643 8.896 1 T 2.525e+04 0.00e+00 a 0 0 0 0 23 8.257 8.898 1 T 1.463e+05 0.00e+00 a 0 0 0 0 24 8.496 8.893 1 T 7.017e+04 0.00e+00 a 0 0 0 0 25 8.386 8.896 1 T 6.876e+04 0.00e+00 a 0 0 0 0 26 8.756 8.898 1 T 1.962e+05 0.00e+00 a 0 0 0 0 27 8.704 8.887 1 T 1.065e+05 0.00e+00 a 0 0 0 0 28 1.421 8.897 1 T 2.509e+05 0.00e+00 a 0 0 0 0 29 1.256 8.897 1 T 8.967e+04 0.00e+00 a 0 0 0 0 30 1.160 8.897 1 T 7.029e+04 0.00e+00 a 0 0 0 0 31 1.508 8.899 1 T 4.557e+04 0.00e+00 a 0 0 0 0 32 0.547 8.861 1 T 8.692e+04 0.00e+00 a 0 0 0 0 33 0.560 8.861 1 T 8.654e+04 0.00e+00 a 0 0 0 0 34 0.458 8.863 1 T 3.143e+04 0.00e+00 a 0 0 0 0 35 1.151 8.863 1 T 1.899e+05 0.00e+00 a 0 0 0 0 36 1.256 8.861 1 T 1.116e+05 0.00e+00 a 0 0 0 0 37 1.343 8.863 1 T 4.716e+05 0.00e+00 a 0 0 0 0 38 1.423 8.862 1 T 8.021e+04 0.00e+00 a 0 0 0 0 39 1.737 8.866 1 T 2.880e+04 0.00e+00 a 0 0 0 0 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0 0 0 0 61 2.716 8.759 1 T 4.083e+05 0.00e+00 a 0 0 0 0 62 2.921 8.764 1 T 5.004e+04 0.00e+00 a 0 0 0 0 63 4.474 8.759 1 T 1.195e+06 0.00e+00 a 0 0 0 0 64 4.372 8.763 1 T 1.861e+05 0.00e+00 a 0 0 0 0 65 4.885 8.763 1 T 2.371e+05 0.00e+00 a 0 0 0 0 68 4.894 8.705 1 T 1.614e+05 0.00e+00 a 0 0 0 0 69 5.229 8.760 1 T 8.027e+05 0.00e+00 a 0 0 0 0 70 5.343 8.705 1 T 1.554e+05 0.00e+00 a 0 0 0 0 71 6.931 8.761 1 T 1.728e+04 0.00e+00 a 0 0 0 0 72 6.783 8.760 1 T 2.579e+04 0.00e+00 a 0 0 0 0 73 6.784 8.702 1 T 9.817e+04 0.00e+00 a 0 0 0 0 74 6.471 8.698 1 T 1.975e+04 0.00e+00 a 0 0 0 0 75 7.817 8.764 1 T 5.181e+04 0.00e+00 a 0 0 0 0 76 7.817 8.703 1 T 9.025e+04 0.00e+00 a 0 0 0 0 77 7.648 8.705 1 T 6.180e+04 0.00e+00 a 0 0 0 0 78 8.904 8.761 1 T 1.126e+05 0.00e+00 a 0 0 0 0 79 8.536 8.763 1 T 7.403e+04 0.00e+00 a 0 0 0 0 80 8.504 8.763 1 T 7.737e+04 0.00e+00 a 0 0 0 0 82 2.719 8.706 1 T 3.680e+05 0.00e+00 a 0 0 0 0 83 2.593 8.703 1 T 6.829e+05 0.00e+00 a 0 0 0 0 84 2.935 8.705 1 T 3.219e+04 0.00e+00 a 0 0 0 0 85 4.094 8.660 1 T 2.193e+05 0.00e+00 a 0 0 0 0 86 5.330 8.658 1 T 9.214e+05 0.00e+00 a 0 0 0 0 87 5.170 8.658 1 T 2.420e+05 0.00e+00 a 0 0 0 0 88 5.175 8.761 1 T 5.046e+05 0.00e+00 a 0 0 0 0 89 6.480 8.660 1 T 1.932e+04 0.00e+00 a 0 0 0 0 90 8.384 8.661 1 T 7.555e+04 0.00e+00 a 0 0 0 0 91 8.488 8.661 1 T 5.298e+04 0.00e+00 a 0 0 0 0 92 8.862 8.658 1 T 1.595e+05 0.00e+00 a 0 0 0 0 93 2.214 8.702 1 T 1.784e+05 0.00e+00 a 0 0 0 0 94 2.213 8.661 1 T 2.061e+05 0.00e+00 a 0 0 0 0 95 1.359 8.704 1 T 7.912e+04 0.00e+00 a 0 0 0 0 96 1.238 8.706 1 T 6.343e+04 0.00e+00 a 0 0 0 0 97 1.706 8.703 1 T 1.114e+05 0.00e+00 a 0 0 0 0 98 1.583 8.705 1 T 1.125e+05 0.00e+00 a 0 0 0 0 99 0.811 8.703 1 T 3.379e+04 0.00e+00 a 0 0 0 0 100 0.600 8.658 1 T 2.331e+05 0.00e+00 a 0 0 0 0 101 0.450 8.659 1 T 1.059e+05 0.00e+00 a 0 0 0 0 102 0.456 8.703 1 T 2.807e+04 0.00e+00 a 0 0 0 0 103 0.604 8.706 1 T 3.119e+04 0.00e+00 a 0 0 0 0 104 1.150 8.659 1 T 5.583e+04 0.00e+00 a 0 0 0 0 105 1.345 8.660 1 T 8.275e+04 0.00e+00 a 0 0 0 0 106 1.737 8.659 1 T 1.912e+05 0.00e+00 a 0 0 0 0 107 4.170 8.611 1 T 9.354e+05 0.00e+00 a 0 0 0 0 108 4.873 8.612 1 T 5.667e+04 0.00e+00 a 0 0 0 0 109 5.211 8.613 1 T 1.755e+05 0.00e+00 a 0 0 0 0 110 7.868 8.611 1 T 1.317e+05 0.00e+00 a 0 0 0 0 111 2.759 8.612 1 T 4.547e+05 0.00e+00 a 0 0 0 0 112 2.600 8.612 1 T 1.986e+04 0.00e+00 a 0 0 0 0 113 2.350 8.611 1 T 2.580e+05 0.00e+00 a 0 0 0 0 114 2.136 8.612 1 T 3.487e+04 0.00e+00 a 0 0 0 0 115 1.788 8.612 1 T 1.205e+05 0.00e+00 a 0 0 0 0 116 0.809 8.612 1 T 3.306e+04 0.00e+00 a 0 0 0 0 117 2.919 8.535 1 T 4.371e+04 0.00e+00 a 0 0 0 0 118 2.769 8.536 1 T 7.199e+04 0.00e+00 a 0 0 0 0 119 0.808 8.536 1 T 2.713e+04 0.00e+00 a 0 0 0 0 120 0.547 8.534 1 T 2.703e+04 0.00e+00 a 0 0 0 0 121 0.560 8.486 1 T 2.347e+04 0.00e+00 a 0 0 0 0 122 1.152 8.535 1 T 1.588e+05 0.00e+00 a 0 0 0 0 123 1.317 8.534 1 T 3.863e+05 0.00e+00 a 0 0 0 0 124 1.462 8.534 1 T 4.982e+05 0.00e+00 a 0 0 0 0 125 1.531 8.536 1 T 3.529e+05 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4.452e+04 0.00e+00 a 0 0 0 0 167 8.657 8.377 1 T 3.277e+04 0.00e+00 a 0 0 0 0 168 0.655 8.257 1 T 3.898e+04 0.00e+00 a 0 0 0 0 169 0.499 8.259 1 T 3.362e+04 0.00e+00 a 0 0 0 0 170 1.422 8.258 1 T 6.815e+05 0.00e+00 a 0 0 0 0 171 1.250 8.260 1 T 4.856e+04 0.00e+00 a 0 0 0 0 172 1.990 8.257 1 T 3.922e+05 0.00e+00 a 0 0 0 0 173 2.434 8.258 1 T 2.800e+04 0.00e+00 a 0 0 0 0 174 1.700 8.255 1 T 2.205e+04 0.00e+00 a 0 0 0 0 175 3.678 8.258 1 T 5.653e+05 0.00e+00 a 0 0 0 0 176 3.315 8.257 1 T 2.744e+05 0.00e+00 a 0 0 0 0 177 7.648 8.258 1 T 3.404e+05 0.00e+00 a 0 0 0 0 178 8.897 8.258 1 T 1.279e+05 0.00e+00 a 0 0 0 0 179 1.567 8.142 1 T 9.828e+04 0.00e+00 a 0 0 0 0 180 1.434 8.143 1 T 2.137e+05 0.00e+00 a 0 0 0 0 181 1.331 8.143 1 T 7.394e+04 0.00e+00 a 0 0 0 0 #182 2.689 8.256 1 T 5.835e+04 0.00e+00 a 0 0 0 0 183 2.591 8.143 1 T 2.539e+04 0.00e+00 a 0 0 0 0 184 3.676 8.142 1 T 5.579e+05 0.00e+00 a 0 0 0 0 185 3.996 8.139 1 T 1.932e+05 0.00e+00 a 0 0 0 0 186 7.503 8.144 1 T 4.544e+04 0.00e+00 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7.817 1 T 8.047e+05 0.00e+00 a 0 0 0 0 208 4.920 7.866 1 T 4.770e+04 0.00e+00 a 0 0 0 0 209 5.210 7.817 1 T 1.898e+05 0.00e+00 a 0 0 0 0 210 5.224 7.868 1 T 1.799e+04 0.00e+00 a 0 0 0 0 211 6.934 7.818 1 T 1.750e+04 0.00e+00 a 0 0 0 0 212 6.788 7.817 1 T 2.103e+04 0.00e+00 a 0 0 0 0 213 8.705 7.817 1 T 8.271e+04 0.00e+00 a 0 0 0 0 214 8.613 7.871 1 T 1.254e+05 0.00e+00 a 0 0 0 0 215 8.405 7.816 1 T 7.880e+04 0.00e+00 a 0 0 0 0 216 8.753 7.817 1 T 4.809e+04 0.00e+00 a 0 0 0 0 217 5.326 7.648 1 T 2.342e+04 0.00e+00 a 0 0 0 0 218 5.172 7.650 1 T 4.895e+04 0.00e+00 a 0 0 0 0 219 4.360 7.650 1 T 2.289e+05 0.00e+00 a 0 0 0 0 220 3.680 7.650 1 T 1.425e+05 0.00e+00 a 0 0 0 0 221 3.315 7.648 1 T 4.128e+04 0.00e+00 a 0 0 0 0 222 2.947 7.650 1 T 3.027e+04 0.00e+00 a 0 0 0 0 223 2.693 7.650 1 T 6.129e+04 0.00e+00 a 0 0 0 0 224 2.435 7.649 1 T 3.291e+04 0.00e+00 a 0 0 0 0 225 1.992 7.650 1 T 1.135e+05 0.00e+00 a 0 0 0 0 226 1.703 7.649 1 T 2.616e+05 0.00e+00 a 0 0 0 0 227 1.586 7.650 1 T 2.820e+05 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1.805e+05 0.00e+00 a 0 0 0 0 271 1.263 6.781 1 T 9.547e+04 0.00e+00 a 0 0 0 0 272 1.735 6.779 1 T 3.987e+04 0.00e+00 a 0 0 0 0 273 2.914 6.782 1 T 4.651e+04 0.00e+00 a 0 0 0 0 274 2.663 6.782 1 T 6.799e+05 0.00e+00 a 0 0 0 0 275 2.586 6.782 1 T 7.016e+05 0.00e+00 a 0 0 0 0 276 3.647 6.780 1 T 1.943e+04 0.00e+00 a 0 0 0 0 277 3.961 6.782 1 T 3.201e+04 0.00e+00 a 0 0 0 0 278 4.541 6.782 1 T 3.271e+05 0.00e+00 a 0 0 0 0 279 4.331 6.886 1 T 4.458e+05 0.00e+00 a 0 0 0 0 280 6.526 6.885 1 T 1.773e+06 0.00e+00 a 0 0 0 0 281 6.475 6.779 1 T 2.259e+06 0.00e+00 a 0 0 0 0 282 6.884 6.526 1 T 1.776e+06 0.00e+00 a 0 0 0 0 283 6.782 6.479 1 T 2.058e+06 0.00e+00 a 0 0 0 0 284 8.899 6.887 1 T 1.426e+05 0.00e+00 a 0 0 0 0 285 8.485 6.886 1 T 1.058e+05 0.00e+00 a 0 0 0 0 286 8.893 6.781 1 T 1.803e+05 0.00e+00 a 0 0 0 0 287 8.702 6.781 1 T 1.229e+05 0.00e+00 a 0 0 0 0 288 8.902 6.524 1 T 2.555e+04 0.00e+00 a 0 0 0 0 289 8.869 6.475 1 T 4.321e+04 0.00e+00 a 0 0 0 0 291 8.680 6.476 1 T 2.325e+04 0.00e+00 a 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6.522 1 T 5.257e+04 0.00e+00 a 0 0 0 0 314 1.257 6.478 1 T 4.048e+04 0.00e+00 a 0 0 0 0 315 1.555 6.474 1 T 4.739e+04 0.00e+00 a 0 0 0 0 317 8.398 6.476 1 T 1.742e+04 0.00e+00 a 0 0 0 0 318 7.814 6.780 1 T 2.590e+04 0.00e+00 a 0 0 0 0 319 7.810 6.478 1 T 1.512e+04 0.00e+00 a 0 0 0 0 320 2.212 5.329 1 T 4.814e+04 0.00e+00 a 0 0 0 0 321 2.353 5.211 1 T 2.435e+04 0.00e+00 a 0 0 0 0 322 8.660 5.334 1 T 1.442e+05 0.00e+00 a 0 0 0 0 323 8.482 5.333 1 T 3.379e+04 0.00e+00 a 0 0 0 0 324 8.481 5.175 1 T 4.513e+04 0.00e+00 a 0 0 0 0 325 8.763 5.215 1 T 6.358e+04 0.00e+00 a 0 0 0 0 326 0.600 4.091 1 T 3.949e+04 0.00e+00 a 0 0 0 0 327 0.450 4.092 1 T 5.037e+04 0.00e+00 a 0 0 0 0 328 1.733 4.091 1 T 6.885e+04 0.00e+00 a 0 0 0 0 329 2.312 4.168 1 T 4.470e+04 0.00e+00 a 0 0 0 0 330 1.788 4.167 1 T 2.149e+04 0.00e+00 a 0 0 0 0 331 1.561 3.961 1 T 9.989e+04 0.00e+00 a 0 0 0 0 332 1.498 3.956 1 T 7.988e+04 0.00e+00 a 0 0 0 0 333 1.396 3.959 1 T 8.632e+04 0.00e+00 a 0 0 0 0 334 1.573 3.992 1 T 5.073e+04 0.00e+00 a 0 0 0 0 335 0.809 3.643 1 T 4.870e+05 0.00e+00 a 0 0 0 0 336 1.414 3.676 1 T 6.232e+04 0.00e+00 a 0 0 0 0 337 1.731 3.650 1 T 2.319e+04 0.00e+00 a 0 0 0 0 338 1.563 3.672 1 T 2.870e+04 0.00e+00 a 0 0 0 0 339 1.996 3.678 1 T 5.172e+05 0.00e+00 a 0 0 0 0 340 4.719 3.650 1 T 2.869e+04 0.00e+00 a 0 0 0 0 341 4.568 3.646 1 T 9.243e+04 0.00e+00 a 0 0 0 0 342 6.479 3.957 1 T 2.238e+04 0.00e+00 a 0 0 0 0 343 7.866 4.168 1 T 4.644e+04 0.00e+00 a 0 0 0 0 344 7.819 3.961 1 T 7.559e+04 0.00e+00 a 0 0 0 0 345 7.648 3.678 1 T 6.583e+04 0.00e+00 a 0 0 0 0 346 8.402 3.668 1 T 6.697e+05 0.00e+00 a 0 0 0 0 347 8.260 3.677 1 T 3.041e+05 0.00e+00 a 0 0 0 0 348 8.140 3.674 1 T 3.324e+05 0.00e+00 a 0 0 0 0 349 8.385 4.092 1 T 2.693e+05 0.00e+00 a 0 0 0 0 350 8.407 3.959 1 T 3.147e+05 0.00e+00 a 0 0 0 0 351 8.614 4.169 1 T 9.778e+04 0.00e+00 a 0 0 0 0 352 8.658 4.089 1 T 5.490e+04 0.00e+00 a 0 0 0 0 353 8.384 3.641 1 T 4.068e+05 0.00e+00 a 0 0 0 0 354 8.897 3.646 1 T 4.774e+04 0.00e+00 a 0 0 0 0 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5.068e+05 0.00e+00 a 0 0 0 0 376 6.971 2.942 1 T 3.042e+05 0.00e+00 a 0 0 0 0 377 0.545 2.918 1 T 1.046e+05 0.00e+00 a 0 0 0 0 378 0.456 2.932 1 T 2.369e+04 0.00e+00 a 0 0 0 0 379 0.810 2.761 1 T 1.950e+05 0.00e+00 a 0 0 0 0 380 1.461 2.771 1 T 2.531e+05 0.00e+00 a 0 0 0 0 381 1.321 2.771 1 T 2.932e+05 0.00e+00 a 0 0 0 0 382 1.151 2.770 1 T 6.591e+05 0.00e+00 a 0 0 0 0 383 0.812 2.658 1 T 2.447e+04 0.00e+00 a 0 0 0 0 384 0.810 2.593 1 T 6.880e+04 0.00e+00 a 0 0 0 0 385 0.551 2.666 1 T 1.381e+05 0.00e+00 a 0 0 0 0 386 0.549 2.587 1 T 1.173e+05 0.00e+00 a 0 0 0 0 387 0.637 2.591 1 T 6.012e+04 0.00e+00 a 0 0 0 0 388 0.470 2.589 1 T 5.606e+04 0.00e+00 a 0 0 0 0 389 0.484 2.669 1 T 5.026e+04 0.00e+00 a 0 0 0 0 390 0.641 2.671 1 T 4.150e+04 0.00e+00 a 0 0 0 0 391 2.214 2.728 1 T 1.145e+06 0.00e+00 a 0 0 0 0 392 2.361 2.757 1 T 1.103e+06 0.00e+00 a 0 0 0 0 393 3.317 2.683 1 T 3.261e+04 0.00e+00 a 0 0 0 0 394 4.331 2.681 1 T 5.712e+05 0.00e+00 a 0 0 0 0 395 4.718 2.771 1 T 4.197e+04 0.00e+00 a 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0.00e+00 a 0 0 0 0 437 4.561 2.368 1 T 1.903e+04 0.00e+00 a 0 0 0 0 438 4.475 2.448 1 T 3.998e+04 0.00e+00 a 0 0 0 0 439 4.371 2.363 1 T 1.938e+04 0.00e+00 a 0 0 0 0 440 4.341 2.447 1 T 2.579e+04 0.00e+00 a 0 0 0 0 441 4.170 2.309 1 T 2.350e+05 0.00e+00 a 0 0 0 0 442 4.361 2.203 1 T 2.780e+04 0.00e+00 a 0 0 0 0 443 4.088 2.226 1 T 2.129e+04 0.00e+00 a 0 0 0 0 444 4.166 2.138 1 T 1.114e+05 0.00e+00 a 0 0 0 0 445 1.150 2.215 1 T 1.586e+05 0.00e+00 a 0 0 0 0 446 1.789 2.314 1 T 8.317e+05 0.00e+00 a 0 0 0 0 447 1.793 2.132 1 T 4.760e+05 0.00e+00 a 0 0 0 0 448 1.465 2.204 1 T 3.023e+04 0.00e+00 a 0 0 0 0 449 1.326 2.207 1 T 2.046e+04 0.00e+00 a 0 0 0 0 450 2.725 2.204 1 T 1.169e+06 0.00e+00 a 0 0 0 0 451 2.759 2.365 1 T 1.098e+06 0.00e+00 a 0 0 0 0 452 4.363 1.995 1 T 3.034e+04 0.00e+00 a 0 0 0 0 453 3.680 1.995 1 T 8.767e+05 0.00e+00 a 0 0 0 0 454 3.316 1.992 1 T 5.306e+04 0.00e+00 a 0 0 0 0 455 2.947 1.698 1 T 1.054e+05 0.00e+00 a 0 0 0 0 456 2.311 1.783 1 T 8.978e+05 0.00e+00 a 0 0 0 0 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8.239e+04 0.00e+00 a 0 0 0 0 478 8.141 1.437 1 T 1.092e+05 0.00e+00 a 0 0 0 0 479 8.143 1.326 1 T 6.486e+04 0.00e+00 a 0 0 0 0 480 8.383 1.738 1 T 1.948e+05 0.00e+00 a 0 0 0 0 481 8.618 1.778 1 T 7.706e+04 0.00e+00 a 0 0 0 0 482 8.657 1.737 1 T 1.173e+05 0.00e+00 a 0 0 0 0 483 8.706 1.696 1 T 7.001e+04 0.00e+00 a 0 0 0 0 484 8.895 0.808 1 T 2.344e+05 0.00e+00 a 0 0 0 0 485 8.759 0.808 1 T 1.022e+05 0.00e+00 a 0 0 0 0 486 8.381 0.810 1 T 1.138e+05 0.00e+00 a 0 0 0 0 487 8.381 0.602 1 T 1.228e+05 0.00e+00 a 0 0 0 0 488 8.660 0.601 1 T 2.016e+05 0.00e+00 a 0 0 0 0 489 8.754 0.546 1 T 1.237e+05 0.00e+00 a 0 0 0 0 490 8.658 0.448 1 T 8.087e+04 0.00e+00 a 0 0 0 0 491 8.382 0.451 1 T 1.636e+05 0.00e+00 a 0 0 0 0 492 8.899 0.647 1 T 7.199e+04 0.00e+00 a 0 0 0 0 493 8.884 0.615 1 T 6.344e+04 0.00e+00 a 0 0 0 0 494 8.875 0.546 1 T 8.423e+04 0.00e+00 a 0 0 0 0 495 8.897 0.497 1 T 7.333e+04 0.00e+00 a 0 0 0 0 496 8.896 0.462 1 T 4.609e+04 0.00e+00 a 0 0 0 0 497 5.207 0.808 1 T 6.220e+04 0.00e+00 a 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1.493 1 T 3.015e+04 0.00e+00 a 0 0 0 0 519 6.477 1.347 1 T 1.399e+05 0.00e+00 a 0 0 0 0 520 6.481 1.399 1 T 4.342e+04 0.00e+00 a 0 0 0 0 521 6.785 1.521 1 T 3.077e+04 0.00e+00 a 0 0 0 0 522 6.781 1.345 1 T 9.843e+04 0.00e+00 a 0 0 0 0 523 6.779 1.254 1 T 4.202e+04 0.00e+00 a 0 0 0 0 524 6.906 1.151 1 T 1.586e+05 0.00e+00 a 0 0 0 0 525 7.281 1.241 1 T 1.874e+04 0.00e+00 a 0 0 0 0 526 6.776 0.807 1 T 1.834e+04 0.00e+00 a 0 0 0 0 527 3.644 0.809 1 T 7.118e+05 0.00e+00 a 0 0 0 0 528 3.812 0.837 1 T 5.568e+04 0.00e+00 a 0 0 0 0 529 4.711 0.810 1 T 6.557e+04 0.00e+00 a 0 0 0 0 530 4.564 0.808 1 T 3.657e+05 0.00e+00 a 0 0 0 0 531 3.316 0.651 1 T 1.280e+05 0.00e+00 a 0 0 0 0 532 3.316 0.501 1 T 7.937e+04 0.00e+00 a 0 0 0 0 533 3.650 0.449 1 T 2.768e+04 0.00e+00 a 0 0 0 0 534 4.094 0.601 1 T 2.405e+05 0.00e+00 a 0 0 0 0 535 4.475 0.543 1 T 2.940e+05 0.00e+00 a 0 0 0 0 537 4.092 0.449 1 T 2.651e+05 0.00e+00 a 0 0 0 0 538 4.550 0.597 1 T 3.801e+04 0.00e+00 a 0 0 0 0 539 4.546 0.451 1 T 2.548e+04 0.00e+00 a 0 0 0 0 540 2.759 0.808 1 T 2.731e+05 0.00e+00 a 0 0 0 0 541 2.588 0.809 1 T 5.552e+04 0.00e+00 a 0 0 0 0 542 2.359 0.808 1 T 4.242e+05 0.00e+00 a 0 0 0 0 543 1.737 0.455 1 T 5.393e+05 0.00e+00 a 0 0 0 0 544 1.735 0.603 1 T 5.610e+05 0.00e+00 a 0 0 0 0 545 1.243 0.641 1 T 2.257e+05 0.00e+00 a 0 0 0 0 546 1.419 0.649 1 T 1.845e+05 0.00e+00 a 0 0 0 0 550 1.347 0.547 1 T 5.841e+05 0.00e+00 a 0 0 0 0 551 1.245 0.547 1 T 6.710e+05 0.00e+00 a 0 0 0 0 552 1.797 0.639 1 T 7.434e+04 0.00e+00 a 0 0 0 0 553 2.921 0.542 1 T 1.208e+05 0.00e+00 a 0 0 0 0 554 2.937 0.601 1 T 3.985e+04 0.00e+00 a 0 0 0 0 555 1.356 1.698 1 T 1.223e+05 0.00e+00 a 0 0 0 0 556 1.236 1.699 1 T 1.755e+05 0.00e+00 a 0 0 0 0 557 0.811 1.155 1 T 4.348e+04 0.00e+00 a 0 0 0 0 558 1.703 1.241 1 T 1.624e+05 0.00e+00 a 0 0 0 0 559 1.704 1.357 1 T 1.600e+05 0.00e+00 a 0 0 0 0 560 1.152 1.450 1 T 5.314e+05 0.00e+00 a 0 0 0 0 561 0.601 1.732 1 T 3.596e+05 0.00e+00 a 0 0 0 0 562 0.451 1.730 1 T 4.160e+05 0.00e+00 a 0 0 0 0 563 0.810 2.364 1 T 2.929e+05 0.00e+00 a 0 0 0 0 564 2.681 1.706 1 T 2.364e+04 0.00e+00 a 0 0 0 0 565 5.330 1.732 1 T 2.405e+04 0.00e+00 a 0 0 0 0 566 4.724 1.458 1 T 5.851e+04 0.00e+00 a 0 0 0 0 567 4.726 1.333 1 T 1.028e+05 0.00e+00 a 0 0 0 0 568 5.333 1.345 1 T 2.280e+04 0.00e+00 a 0 0 0 0 569 5.329 1.147 1 T 2.082e+04 0.00e+00 a 0 0 0 0 570 5.215 1.519 1 T 3.190e+04 0.00e+00 a 0 0 0 0 571 5.211 1.406 1 T 2.095e+04 0.00e+00 a 0 0 0 0 572 5.208 1.280 1 T 1.449e+04 0.00e+00 a 0 0 0 0 573 5.175 1.344 1 T 2.280e+04 0.00e+00 a 0 0 0 0 574 4.726 1.156 1 T 1.025e+05 0.00e+00 a 0 0 0 0 575 4.568 1.152 1 T 5.242e+04 0.00e+00 a 0 0 0 0 576 4.476 1.346 1 T 4.379e+05 0.00e+00 a 0 0 0 0 577 4.475 1.246 1 T 8.172e+04 0.00e+00 a 0 0 0 0 578 4.562 1.449 1 T 2.700e+04 0.00e+00 a 0 0 0 0 579 4.370 1.157 1 T 3.375e+04 0.00e+00 a 0 0 0 0 580 1.324 0.807 1 T 5.166e+04 0.00e+00 a 0 0 0 0 581 1.143 0.806 1 T 5.394e+04 0.00e+00 a 0 0 0 0 582 1.451 0.806 1 T 2.940e+04 0.00e+00 a 0 0 0 0 583 4.360 1.699 1 T 1.951e+05 0.00e+00 a 0 0 0 0 584 1.420 1.993 1 T 9.150e+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 . . 30534 1 2 . . H 1 H . . 16 ppm . . . 4.7 . . 30534 1 stop_ save_