######################### # 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 34576 _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 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 3 #FORMAT xeasy3D #INAME 1 HN #INAME 2 N #INAME 3 H #SPECTRUM N15NOESY HN N H 1 8.534 118.951 2.839 1 T 1.310e+06 0.00e+00 a 0 0 0 0 0 2 8.542 118.956 2.803 1 T 1.304e+06 0.00e+00 a 0 0 0 0 0 3 8.351 120.805 2.076 1 T 2.309e+06 0.00e+00 a 0 0 0 0 0 4 8.350 120.796 2.005 1 T 4.552e+06 0.00e+00 a 0 0 0 0 0 5 8.350 120.827 2.289 1 T 1.915e+06 0.00e+00 a 0 0 0 0 0 6 8.349 120.812 2.813 1 T 1.590e+06 0.00e+00 a 0 0 0 0 0 7 8.350 120.800 4.677 1 T 1.382e+06 0.00e+00 a 0 0 0 0 0 8 8.356 120.758 4.262 1 T 1.543e+06 0.00e+00 a 0 0 0 0 0 9 8.352 120.802 8.241 1 T 3.590e+06 0.00e+00 a 0 0 0 0 0 10 8.234 121.815 7.938 1 T 2.701e+06 0.00e+00 a 0 0 0 0 0 11 8.237 121.803 4.318 1 T 3.593e+06 0.00e+00 a 0 0 0 0 0 12 8.231 121.836 4.255 1 T 6.785e+06 0.00e+00 a 0 0 0 0 0 13 8.231 121.787 2.073 1 T 1.507e+06 0.00e+00 a 0 0 0 0 0 14 8.232 121.831 2.002 1 T 1.692e+06 0.00e+00 a 0 0 0 0 0 15 8.233 121.823 1.741 1 T 7.626e+06 0.00e+00 a 0 0 0 0 0 16 8.232 121.823 1.635 1 T 5.380e+06 0.00e+00 a 0 0 0 0 0 17 8.233 121.838 0.930 1 T 9.969e+05 0.00e+00 a 0 0 0 0 0 18 8.232 121.842 0.884 1 T 7.627e+05 0.00e+00 a 0 0 0 0 0 19 7.937 112.012 1.238 1 T 3.017e+06 0.00e+00 a 0 0 0 0 0 20 7.937 112.076 1.743 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 21 7.938 112.095 1.616 1 T 1.715e+06 0.00e+00 a 0 0 0 0 0 22 7.937 112.075 4.324 1 T 7.366e+06 0.00e+00 a 0 0 0 0 0 24 8.069 116.869 7.963 1 T 2.468e+06 0.00e+00 a 0 0 0 0 0 25 8.076 116.854 4.487 1 T 1.322e+06 0.00e+00 a 0 0 0 0 0 27 8.070 116.855 4.285 1 T 1.750e+06 0.00e+00 a 0 0 0 0 0 28 8.068 116.811 4.209 1 T 3.018e+06 0.00e+00 a 0 0 0 0 0 30 8.073 116.815 4.344 1 T 7.512e+05 0.00e+00 a 0 0 0 0 0 31 8.068 116.871 3.901 1 T 3.558e+06 0.00e+00 a 0 0 0 0 0 32 7.973 124.640 0.919 1 T 3.008e+06 0.00e+00 a 0 0 0 0 0 33 7.973 124.628 1.456 1 T 3.864e+06 0.00e+00 a 0 0 0 0 0 34 7.973 124.646 1.748 1 T 9.112e+06 0.00e+00 a 0 0 0 0 0 35 7.972 124.636 1.692 1 T 1.311e+07 0.00e+00 a 0 0 0 0 0 36 7.968 124.589 3.608 1 T 8.838e+05 0.00e+00 a 0 0 0 0 0 37 7.979 124.622 3.963 1 T 9.107e+05 0.00e+00 a 0 0 0 0 0 38 7.970 124.626 3.900 1 T 2.457e+06 0.00e+00 a 0 0 0 0 0 39 7.974 124.655 4.668 1 T 2.442e+06 0.00e+00 a 0 0 0 0 0 40 7.972 124.638 4.483 1 T 9.592e+06 0.00e+00 a 0 0 0 0 0 41 8.593 124.120 4.568 1 T 1.472e+06 0.00e+00 a 0 0 0 0 0 42 8.593 124.115 4.514 1 T 1.316e+07 0.00e+00 a 0 0 0 0 0 43 8.593 124.105 3.996 1 T 6.551e+06 0.00e+00 a 0 0 0 0 0 44 8.592 124.106 2.465 1 T 2.157e+06 0.00e+00 a 0 0 0 0 0 45 8.590 124.201 2.103 1 T 1.100e+06 0.00e+00 a 0 0 0 0 0 46 8.594 124.139 1.950 1 T 2.552e+06 0.00e+00 a 0 0 0 0 0 47 8.593 124.100 1.792 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0 48 8.593 124.118 1.698 1 T 1.565e+07 0.00e+00 a 0 0 0 0 0 50 8.594 124.179 0.941 1 T 8.576e+05 0.00e+00 a 0 0 0 0 0 51 8.788 119.942 1.458 1 T 1.779e+07 0.00e+00 a 0 0 0 0 0 52 8.788 119.936 1.695 1 T 7.510e+06 0.00e+00 a 0 0 0 0 0 53 8.788 119.927 1.950 1 T 2.203e+06 0.00e+00 a 0 0 0 0 0 54 8.788 119.875 1.873 1 T 9.222e+05 0.00e+00 a 0 0 0 0 0 55 8.788 119.984 2.465 1 T 1.045e+06 0.00e+00 a 0 0 0 0 0 56 8.787 119.920 3.996 1 T 2.760e+06 0.00e+00 a 0 0 0 0 0 57 8.788 119.921 4.106 1 T 7.367e+06 0.00e+00 a 0 0 0 0 0 58 8.787 119.996 4.417 1 T 7.129e+05 0.00e+00 a 0 0 0 0 0 59 8.790 119.961 4.512 1 T 8.508e+05 0.00e+00 a 0 0 0 0 0 60 8.787 119.942 7.537 1 T 4.746e+06 0.00e+00 a 0 0 0 0 0 61 8.788 119.946 8.594 1 T 3.098e+06 0.00e+00 a 0 0 0 0 0 62 8.789 119.946 8.694 1 T 2.108e+06 0.00e+00 a 0 0 0 0 0 63 7.537 118.474 8.787 1 T 2.936e+06 0.00e+00 a 0 0 0 0 0 64 7.539 118.477 8.117 1 T 9.070e+06 0.00e+00 a 0 0 0 0 0 65 7.542 118.473 7.449 1 T 5.489e+06 0.00e+00 a 0 0 0 0 0 66 7.541 118.474 4.427 1 T 5.418e+06 0.00e+00 a 0 0 0 0 0 67 7.539 118.486 4.105 1 T 3.661e+06 0.00e+00 a 0 0 0 0 0 69 7.540 118.406 3.982 1 T 1.163e+06 0.00e+00 a 0 0 0 0 0 70 7.537 118.450 2.473 1 T 1.301e+06 0.00e+00 a 0 0 0 0 0 71 7.537 118.492 2.337 1 T 2.851e+06 0.00e+00 a 0 0 0 0 0 72 7.539 118.486 2.066 1 T 1.503e+07 0.00e+00 a 0 0 0 0 0 73 7.538 118.493 1.953 1 T 4.588e+06 0.00e+00 a 0 0 0 0 0 74 7.538 118.497 0.935 1 T 8.474e+05 0.00e+00 a 0 0 0 0 0 76 7.539 118.478 1.460 1 T 6.197e+06 0.00e+00 a 0 0 0 0 0 77 7.539 118.462 1.725 1 T 7.554e+05 0.00e+00 a 0 0 0 0 0 79 7.536 118.404 1.664 1 T 9.508e+05 0.00e+00 a 0 0 0 0 0 80 8.119 120.223 8.287 1 T 6.772e+06 0.00e+00 a 0 0 0 0 0 81 8.118 120.230 7.930 1 T 4.691e+06 0.00e+00 a 0 0 0 0 0 82 8.118 120.224 7.539 1 T 1.271e+07 0.00e+00 a 0 0 0 0 0 83 8.114 120.152 7.745 1 T 3.265e+06 0.00e+00 a 0 0 0 0 0 85 8.117 120.231 4.527 1 T 1.199e+06 0.00e+00 a 0 0 0 0 0 86 8.118 120.183 4.425 1 T 4.315e+06 0.00e+00 a 0 0 0 0 0 88 8.116 120.170 4.193 1 T 4.699e+06 0.00e+00 a 0 0 0 0 0 89 8.115 120.169 4.089 1 T 1.336e+07 0.00e+00 a 0 0 0 0 0 90 8.118 120.241 3.979 1 T 9.989e+06 0.00e+00 a 0 0 0 0 0 91 8.114 120.155 2.429 1 T 5.246e+06 0.00e+00 a 0 0 0 0 0 92 8.116 120.179 2.340 1 T 6.997e+06 0.00e+00 a 0 0 0 0 0 93 8.115 120.166 2.171 1 T 1.573e+07 0.00e+00 a 0 0 0 0 0 94 8.116 120.163 2.103 1 T 1.053e+07 0.00e+00 a 0 0 0 0 0 95 8.117 120.201 1.921 1 T 2.104e+07 0.00e+00 a 0 0 0 0 0 96 8.118 120.209 1.724 1 T 8.280e+06 0.00e+00 a 0 0 0 0 0 97 8.116 120.175 1.651 1 T 7.475e+06 0.00e+00 a 0 0 0 0 0 99 8.121 120.297 1.460 1 T 1.739e+06 0.00e+00 a 0 0 0 0 0 100 8.118 120.237 0.910 1 T 3.237e+06 0.00e+00 a 0 0 0 0 0 101 8.288 118.547 0.911 1 T 1.351e+06 0.00e+00 a 0 0 0 0 0 102 8.293 118.534 1.886 1 T 2.674e+07 0.00e+00 a 0 0 0 0 0 103 8.294 118.542 1.704 1 T 2.314e+06 0.00e+00 a 0 0 0 0 0 104 8.295 118.520 1.659 1 T 2.228e+06 0.00e+00 a 0 0 0 0 0 105 8.292 118.494 1.575 1 T 4.077e+06 0.00e+00 a 0 0 0 0 0 106 8.291 118.563 1.418 1 T 2.003e+06 0.00e+00 a 0 0 0 0 0 107 8.293 118.519 1.938 1 T 1.125e+07 0.00e+00 a 0 0 0 0 0 108 8.293 118.543 4.102 1 T 2.992e+06 0.00e+00 a 0 0 0 0 0 109 8.294 118.524 4.024 1 T 9.935e+06 0.00e+00 a 0 0 0 0 0 110 8.293 118.519 3.980 1 T 5.205e+06 0.00e+00 a 0 0 0 0 0 111 8.295 118.519 4.425 1 T 9.411e+05 0.00e+00 a 0 0 0 0 0 112 8.299 118.522 4.517 1 T 5.859e+05 0.00e+00 a 0 0 0 0 0 113 8.294 118.526 7.527 1 T 8.203e+05 0.00e+00 a 0 0 0 0 0 114 8.293 118.544 7.748 1 T 8.121e+06 0.00e+00 a 0 0 0 0 0 115 8.291 118.533 7.676 1 T 1.069e+06 0.00e+00 a 0 0 0 0 0 116 8.295 118.551 8.201 1 T 5.559e+06 0.00e+00 a 0 0 0 0 0 117 8.292 118.521 8.120 1 T 1.056e+07 0.00e+00 a 0 0 0 0 0 118 8.290 118.542 8.055 1 T 1.773e+06 0.00e+00 a 0 0 0 0 0 119 7.747 120.630 8.293 1 T 6.935e+06 0.00e+00 a 0 0 0 0 0 120 7.747 120.638 8.177 1 T 7.384e+06 0.00e+00 a 0 0 0 0 0 121 7.747 120.634 4.426 1 T 3.953e+06 0.00e+00 a 0 0 0 0 0 122 7.747 120.629 4.103 1 T 9.750e+06 0.00e+00 a 0 0 0 0 0 123 7.747 120.589 4.023 1 T 3.123e+06 0.00e+00 a 0 0 0 0 0 124 7.748 120.629 2.040 1 T 1.026e+07 0.00e+00 a 0 0 0 0 0 125 7.747 120.647 1.909 1 T 1.784e+07 0.00e+00 a 0 0 0 0 0 126 7.746 120.690 1.722 1 T 2.321e+06 0.00e+00 a 0 0 0 0 0 127 7.744 120.635 1.511 1 T 1.447e+06 0.00e+00 a 0 0 0 0 0 128 7.744 120.649 0.904 1 T 7.184e+05 0.00e+00 a 0 0 0 0 0 129 8.177 119.339 8.091 1 T 1.434e+07 0.00e+00 a 0 0 0 0 0 130 8.178 119.361 8.006 1 T 2.159e+06 0.00e+00 a 0 0 0 0 0 131 8.183 119.337 7.925 1 T 2.116e+06 0.00e+00 a 0 0 0 0 0 132 8.176 119.342 7.748 1 T 7.945e+06 0.00e+00 a 0 0 0 0 0 133 8.178 119.300 4.420 1 T 1.810e+06 0.00e+00 a 0 0 0 0 0 134 8.177 119.355 4.093 1 T 1.199e+07 0.00e+00 a 0 0 0 0 0 135 8.178 119.334 3.974 1 T 2.837e+06 0.00e+00 a 0 0 0 0 0 136 8.176 119.360 2.042 1 T 8.156e+06 0.00e+00 a 0 0 0 0 0 137 8.177 119.335 1.885 1 T 1.913e+07 0.00e+00 a 0 0 0 0 0 138 8.177 119.333 1.826 1 T 1.587e+07 0.00e+00 a 0 0 0 0 0 139 8.175 119.396 2.333 1 T 8.818e+05 0.00e+00 a 0 0 0 0 0 140 8.177 119.320 1.512 1 T 6.712e+06 0.00e+00 a 0 0 0 0 0 141 8.177 119.344 0.891 1 T 5.206e+06 0.00e+00 a 0 0 0 0 0 142 8.090 121.505 7.901 1 T 1.427e+07 0.00e+00 a 0 0 0 0 0 143 8.088 121.558 7.808 1 T 3.201e+06 0.00e+00 a 0 0 0 0 0 144 8.087 121.660 7.745 1 T 2.530e+06 0.00e+00 a 0 0 0 0 0 145 8.089 121.537 4.185 1 T 1.554e+07 0.00e+00 a 0 0 0 0 0 146 8.089 121.516 4.089 1 T 1.113e+07 0.00e+00 a 0 0 0 0 0 147 8.089 121.495 2.177 1 T 6.552e+06 0.00e+00 a 0 0 0 0 0 148 8.090 121.438 2.126 1 T 5.167e+06 0.00e+00 a 0 0 0 0 0 149 8.088 121.601 1.881 1 T 2.965e+07 0.00e+00 a 0 0 0 0 0 150 8.086 121.634 1.776 1 T 9.622e+06 0.00e+00 a 0 0 0 0 0 151 8.089 121.568 1.631 1 T 1.033e+07 0.00e+00 a 0 0 0 0 0 152 8.085 121.625 1.509 1 T 4.283e+06 0.00e+00 a 0 0 0 0 0 153 8.089 121.625 0.906 1 T 5.991e+06 0.00e+00 a 0 0 0 0 0 154 7.898 122.429 8.089 1 T 9.026e+06 0.00e+00 a 0 0 0 0 0 155 7.898 122.381 7.740 1 T 5.028e+06 0.00e+00 a 0 0 0 0 0 156 7.898 122.371 7.618 1 T 3.160e+06 0.00e+00 a 0 0 0 0 0 157 7.899 122.316 4.230 1 T 1.390e+07 0.00e+00 a 0 0 0 0 0 158 7.899 122.408 4.198 1 T 1.208e+07 0.00e+00 a 0 0 0 0 0 159 7.899 122.402 1.870 1 T 7.839e+06 0.00e+00 a 0 0 0 0 0 160 7.900 122.414 1.612 1 T 4.785e+06 0.00e+00 a 0 0 0 0 0 161 7.899 122.396 1.513 1 T 2.948e+07 0.00e+00 a 0 0 0 0 0 162 7.898 122.378 0.896 1 T 1.518e+06 0.00e+00 a 0 0 0 0 0 163 7.930 119.306 1.907 1 T 2.098e+07 0.00e+00 a 0 0 0 0 0 164 7.929 119.290 1.596 1 T 4.638e+06 0.00e+00 a 0 0 0 0 0 165 7.930 119.308 1.515 1 T 9.945e+06 0.00e+00 a 0 0 0 0 0 166 7.932 119.376 0.907 1 T 8.921e+05 0.00e+00 a 0 0 0 0 0 167 7.929 119.309 4.233 1 T 5.826e+06 0.00e+00 a 0 0 0 0 0 168 7.928 119.304 4.093 1 T 9.453e+06 0.00e+00 a 0 0 0 0 0 171 7.930 119.304 7.775 1 T 4.203e+06 0.00e+00 a 0 0 0 0 0 172 7.894 122.033 7.711 1 T 3.040e+06 0.00e+00 a 0 0 0 0 0 173 7.899 122.101 7.521 1 T 2.477e+06 0.00e+00 a 0 0 0 0 0 174 7.893 122.103 4.100 1 T 4.099e+06 0.00e+00 a 0 0 0 0 0 175 7.894 122.092 4.219 1 T 1.225e+07 0.00e+00 a 0 0 0 0 0 176 7.895 122.096 1.907 1 T 9.128e+06 0.00e+00 a 0 0 0 0 0 177 7.895 122.067 1.486 1 T 2.542e+07 0.00e+00 a 0 0 0 0 0 178 7.893 122.117 1.695 1 T 1.174e+06 0.00e+00 a 0 0 0 0 0 179 7.964 121.591 1.471 1 T 2.594e+07 0.00e+00 a 0 0 0 0 0 180 7.962 121.596 4.230 1 T 1.237e+07 0.00e+00 a 0 0 0 0 0 181 7.864 118.870 7.960 1 T 6.977e+06 0.00e+00 a 0 0 0 0 0 182 7.864 118.883 4.241 1 T 8.871e+06 0.00e+00 a 0 0 0 0 0 183 7.863 118.890 1.907 1 T 7.014e+06 0.00e+00 a 0 0 0 0 0 184 7.863 118.872 1.853 1 T 8.908e+06 0.00e+00 a 0 0 0 0 0 186 7.861 118.869 1.690 1 T 1.263e+06 0.00e+00 a 0 0 0 0 0 187 7.864 118.891 1.530 1 T 3.066e+06 0.00e+00 a 0 0 0 0 0 188 7.862 118.882 1.467 1 T 7.249e+06 0.00e+00 a 0 0 0 0 0 189 7.864 118.910 7.685 1 T 1.723e+06 0.00e+00 a 0 0 0 0 0 190 7.966 121.052 7.869 1 T 7.952e+06 0.00e+00 a 0 0 0 0 0 191 7.969 121.117 4.322 1 T 5.367e+06 0.00e+00 a 0 0 0 0 0 192 7.965 121.081 4.208 1 T 8.543e+06 0.00e+00 a 0 0 0 0 0 194 7.967 121.098 1.894 1 T 3.442e+06 0.00e+00 a 0 0 0 0 0 195 7.970 121.076 1.856 1 T 2.142e+06 0.00e+00 a 0 0 0 0 0 196 7.966 121.084 1.728 1 T 1.449e+07 0.00e+00 a 0 0 0 0 0 197 7.966 121.104 1.632 1 T 3.183e+06 0.00e+00 a 0 0 0 0 0 198 7.960 121.180 0.907 1 T 1.325e+06 0.00e+00 a 0 0 0 0 0 199 8.100 115.645 7.962 1 T 2.221e+06 0.00e+00 a 0 0 0 0 0 200 8.100 115.649 1.729 1 T 1.769e+06 0.00e+00 a 0 0 0 0 0 201 8.095 115.582 1.626 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 202 8.094 115.620 1.898 1 T 5.024e+05 0.00e+00 a 0 0 0 0 0 203 8.099 115.634 3.920 1 T 4.277e+06 0.00e+00 a 0 0 0 0 0 204 8.105 115.650 4.416 1 T 2.204e+06 0.00e+00 a 0 0 0 0 0 205 8.098 115.641 4.321 1 T 5.050e+06 0.00e+00 a 0 0 0 0 0 206 8.120 122.108 1.871 1 T 1.453e+06 0.00e+00 a 0 0 0 0 0 207 8.122 122.092 1.762 1 T 2.511e+06 0.00e+00 a 0 0 0 0 0 208 8.117 122.104 1.628 1 T 1.257e+06 0.00e+00 a 0 0 0 0 0 209 8.119 122.073 3.923 1 T 9.376e+05 0.00e+00 a 0 0 0 0 0 210 8.119 122.095 4.411 1 T 3.770e+06 0.00e+00 a 0 0 0 0 0 211 8.114 122.106 7.338 1 T 7.358e+05 0.00e+00 a 0 0 0 0 0 212 8.240 120.806 4.326 1 T 2.934e+06 0.00e+00 a 0 0 0 0 0 213 8.239 120.741 2.256 1 T 8.707e+05 0.00e+00 a 0 0 0 0 0 214 8.238 120.819 1.908 1 T 2.812e+06 0.00e+00 a 0 0 0 0 0 215 8.236 120.846 1.770 1 T 7.325e+05 0.00e+00 a 0 0 0 0 0 217 8.254 119.942 4.241 1 T 9.313e+05 0.00e+00 a 0 0 0 0 0 218 7.867 126.895 4.656 1 T 2.548e+06 0.00e+00 a 0 0 0 0 0 219 7.873 126.888 2.866 1 T 2.319e+06 0.00e+00 a 0 0 0 0 0 220 7.878 126.879 3.092 1 T 1.664e+06 0.00e+00 a 0 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 HN . . 14.0261 ppm . . . 4.701 . . 34576 1 2 . . N 15 N . . 18.0093 ppm . . . 119.0 . . 34576 1 3 . . H 1 H . . 9.9778 ppm . . . 4.701 . . 34576 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34576 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 C #INAME 3 H #SPECTRUM C13NOESY HC C H 1 4.637 54.064 2.782 1 T 2.083e+07 0.00e+00 a 0 0 0 0 0 2 4.623 53.674 3.959 1 T 2.936e+07 0.00e+00 a 0 0 0 0 0 4 4.246 57.151 8.222 1 T 6.668e+06 0.00e+00 a 0 0 0 0 0 5 2.002 30.036 2.272 1 T 1.988e+07 0.00e+00 a 0 0 0 0 0 6 2.000 30.042 2.067 1 T 1.025e+08 0.00e+00 a 0 0 0 0 0 7 2.058 29.949 2.305 1 T 3.240e+07 0.00e+00 a 0 0 0 0 0 8 2.067 30.065 1.998 1 T 1.431e+08 0.00e+00 a 0 0 0 0 0 9 2.251 36.469 2.078 1 T 2.091e+07 0.00e+00 a 0 0 0 0 0 10 2.253 36.399 2.289 1 T 1.735e+08 0.00e+00 a 0 0 0 0 0 11 2.294 36.371 2.028 1 T 2.064e+07 0.00e+00 a 0 0 0 0 0 12 2.286 36.446 2.080 1 T 2.069e+07 0.00e+00 a 0 0 0 0 0 13 2.289 36.399 2.250 1 T 2.159e+08 0.00e+00 a 0 0 0 0 0 14 4.316 55.955 1.742 1 T 1.924e+07 0.00e+00 a 0 0 0 0 0 15 4.315 55.984 1.627 1 T 2.144e+07 0.00e+00 a 0 0 0 0 0 16 4.317 56.213 0.889 1 T 1.563e+07 0.00e+00 a 0 0 0 0 0 17 4.311 55.616 0.883 1 T 1.366e+07 0.00e+00 a 0 0 0 0 0 18 4.313 55.796 7.963 1 T 1.105e+07 0.00e+00 a 0 0 0 0 0 19 1.621 42.080 0.913 1 T 1.593e+07 0.00e+00 a 0 0 0 0 0 20 1.615 42.201 1.727 1 T 1.807e+08 0.00e+00 a 0 0 0 0 0 21 1.606 42.043 1.854 1 T 4.614e+07 0.00e+00 a 0 0 0 0 0 22 1.622 42.267 4.322 1 T 5.497e+06 0.00e+00 a 0 0 0 0 0 23 1.622 42.094 4.185 1 T 7.201e+06 0.00e+00 a 0 0 0 0 0 25 1.619 41.914 8.087 1 T 5.955e+06 0.00e+00 a 0 0 0 0 0 27 1.727 42.194 1.623 1 T 1.685e+08 0.00e+00 a 0 0 0 0 0 28 1.746 42.197 1.462 1 T 1.318e+07 0.00e+00 a 0 0 0 0 0 29 1.686 42.056 0.926 1 T 1.332e+07 0.00e+00 a 0 0 0 0 0 30 1.732 42.275 7.966 1 T 3.659e+06 0.00e+00 a 0 0 0 0 0 31 1.738 42.423 4.321 1 T 4.171e+06 0.00e+00 a 0 0 0 0 0 32 1.707 42.253 4.314 1 T 4.001e+06 0.00e+00 a 0 0 0 0 0 33 0.882 23.403 1.130 1 T 6.111e+07 0.00e+00 a 0 0 0 0 0 34 0.890 23.405 4.174 1 T 2.163e+07 0.00e+00 a 0 0 0 0 0 35 0.921 25.161 1.162 1 T 4.581e+07 0.00e+00 a 0 0 0 0 0 37 1.602 27.083 1.862 1 T 2.931e+07 0.00e+00 a 0 0 0 0 0 38 4.274 69.419 1.228 1 T 1.325e+07 0.00e+00 a 0 0 0 0 0 39 4.199 62.855 1.232 1 T 6.414e+06 0.00e+00 a 0 0 0 0 0 40 1.240 21.704 4.284 1 T 7.259e+06 0.00e+00 a 0 0 0 0 0 41 4.475 58.460 3.899 1 T 2.720e+07 0.00e+00 a 0 0 0 0 0 42 4.476 58.470 7.980 1 T 1.324e+07 0.00e+00 a 0 0 0 0 0 43 3.894 63.779 4.474 1 T 1.212e+07 0.00e+00 a 0 0 0 0 0 44 3.894 63.811 4.148 1 T 1.004e+07 0.00e+00 a 0 0 0 0 0 45 1.448 42.144 0.918 1 T 6.393e+06 0.00e+00 a 0 0 0 0 0 46 1.449 42.190 1.685 1 T 4.145e+07 0.00e+00 a 0 0 0 0 0 47 1.449 42.207 4.632 1 T 4.088e+06 0.00e+00 a 0 0 0 0 0 48 1.448 42.112 7.974 1 T 2.518e+06 0.00e+00 a 0 0 0 0 0 49 1.457 42.263 3.601 1 T 2.084e+06 0.00e+00 a 0 0 0 0 0 50 0.963 24.104 1.209 1 T 1.507e+07 0.00e+00 a 0 0 0 0 0 51 0.967 23.909 1.665 1 T 1.165e+07 0.00e+00 a 0 0 0 0 0 52 4.500 63.099 2.458 1 T 1.780e+07 0.00e+00 a 0 0 0 0 0 53 4.501 62.908 2.115 1 T 9.128e+06 0.00e+00 a 0 0 0 0 0 54 4.501 62.975 1.949 1 T 1.059e+07 0.00e+00 a 0 0 0 0 0 55 1.942 32.372 2.101 1 T 1.207e+07 0.00e+00 a 0 0 0 0 0 56 1.943 32.229 2.457 1 T 2.129e+07 0.00e+00 a 0 0 0 0 0 57 2.462 32.238 2.105 1 T 8.619e+06 0.00e+00 a 0 0 0 0 0 58 2.461 32.236 1.951 1 T 2.531e+07 0.00e+00 a 0 0 0 0 0 59 2.453 32.193 3.579 1 T 2.191e+06 0.00e+00 a 0 0 0 0 0 61 2.463 32.265 3.949 1 T 2.341e+06 0.00e+00 a 0 0 0 0 0 62 2.462 32.248 4.502 1 T 7.032e+06 0.00e+00 a 0 0 0 0 0 63 3.595 50.732 4.627 1 T 8.514e+06 0.00e+00 a 0 0 0 0 0 64 3.595 50.768 4.182 1 T 2.380e+06 0.00e+00 a 0 0 0 0 0 65 3.596 50.722 4.075 1 T 2.325e+06 0.00e+00 a 0 0 0 0 0 66 3.593 50.720 3.960 1 T 4.674e+07 0.00e+00 a 0 0 0 0 0 67 3.593 50.705 2.088 1 T 1.218e+07 0.00e+00 a 0 0 0 0 0 68 3.591 50.676 1.967 1 T 3.292e+06 0.00e+00 a 0 0 0 0 0 69 3.598 50.664 1.685 1 T 2.106e+06 0.00e+00 a 0 0 0 0 0 70 3.594 50.783 1.451 1 T 3.935e+06 0.00e+00 a 0 0 0 0 0 71 3.600 50.757 0.904 1 T 2.731e+06 0.00e+00 a 0 0 0 0 0 72 3.957 50.714 2.099 1 T 1.170e+07 0.00e+00 a 0 0 0 0 0 74 3.954 50.667 3.712 1 T 3.908e+06 0.00e+00 a 0 0 0 0 0 75 3.958 50.719 3.598 1 T 4.816e+07 0.00e+00 a 0 0 0 0 0 76 3.958 50.706 4.630 1 T 1.460e+07 0.00e+00 a 0 0 0 0 0 78 3.953 50.825 3.815 1 T 2.804e+06 0.00e+00 a 0 0 0 0 0 79 2.110 27.923 1.956 1 T 2.005e+07 0.00e+00 a 0 0 0 0 0 80 2.114 27.950 2.453 1 T 1.047e+07 0.00e+00 a 0 0 0 0 0 81 2.105 27.811 2.340 1 T 5.044e+06 0.00e+00 a 0 0 0 0 0 82 2.110 27.881 3.952 1 T 9.304e+06 0.00e+00 a 0 0 0 0 0 83 2.110 27.996 3.593 1 T 8.032e+06 0.00e+00 a 0 0 0 0 0 84 2.099 27.919 4.510 1 T 2.737e+06 0.00e+00 a 0 0 0 0 0 86 3.996 58.374 4.182 1 T 5.240e+06 0.00e+00 a 0 0 0 0 0 87 3.996 58.295 8.785 1 T 4.485e+06 0.00e+00 a 0 0 0 0 0 88 3.994 58.290 8.589 1 T 6.825e+06 0.00e+00 a 0 0 0 0 0 89 3.993 58.177 1.924 1 T 1.113e+07 0.00e+00 a 0 0 0 0 0 90 3.995 58.336 1.699 1 T 2.493e+07 0.00e+00 a 0 0 0 0 0 91 3.998 58.294 0.953 1 T 1.138e+07 0.00e+00 a 0 0 0 0 0 92 1.680 42.201 1.451 1 T 3.908e+07 0.00e+00 a 0 0 0 0 0 93 1.685 41.903 3.995 1 T 8.533e+06 0.00e+00 a 0 0 0 0 0 94 0.927 24.306 1.699 1 T 2.279e+07 0.00e+00 a 0 0 0 0 0 96 4.091 55.082 1.874 1 T 1.045e+07 0.00e+00 a 0 0 0 0 0 97 4.103 55.065 1.457 1 T 3.043e+07 0.00e+00 a 0 0 0 0 0 98 4.094 54.981 7.540 1 T 6.454e+06 0.00e+00 a 0 0 0 0 0 99 4.103 55.031 8.785 1 T 8.017e+06 0.00e+00 a 0 0 0 0 0 100 1.459 18.425 8.784 1 T 1.035e+07 0.00e+00 a 0 0 0 0 0 101 1.471 18.539 7.967 1 T 1.520e+07 0.00e+00 a 0 0 0 0 0 102 1.465 18.492 4.108 1 T 1.714e+07 0.00e+00 a 0 0 0 0 0 103 1.474 18.528 4.214 1 T 3.974e+07 0.00e+00 a 0 0 0 0 0 104 1.460 18.351 1.711 1 T 1.418e+07 0.00e+00 a 0 0 0 0 0 105 4.422 57.701 2.051 1 T 3.161e+07 0.00e+00 a 0 0 0 0 0 107 2.049 29.874 4.422 1 T 7.607e+06 0.00e+00 a 0 0 0 0 0 108 2.063 29.919 7.540 1 T 6.092e+06 0.00e+00 a 0 0 0 0 0 109 2.322 35.556 2.073 1 T 2.284e+07 0.00e+00 a 0 0 0 0 0 110 2.317 35.485 2.347 1 T 1.495e+08 0.00e+00 a 0 0 0 0 0 111 2.321 35.499 0.905 1 T 3.010e+06 0.00e+00 a 0 0 0 0 0 112 2.353 35.479 2.069 1 T 3.141e+07 0.00e+00 a 0 0 0 0 0 113 2.350 35.515 2.333 1 T 1.735e+08 0.00e+00 a 0 0 0 0 0 114 2.355 35.278 0.906 1 T 3.531e+06 0.00e+00 a 0 0 0 0 0 117 2.344 35.438 4.420 1 T 2.906e+06 0.00e+00 a 0 0 0 0 0 118 3.973 59.696 0.900 1 T 9.757e+06 0.00e+00 a 0 0 0 0 0 119 3.968 59.670 1.651 1 T 1.103e+07 0.00e+00 a 0 0 0 0 0 120 3.969 59.657 1.737 1 T 6.990e+06 0.00e+00 a 0 0 0 0 0 121 3.969 59.659 1.924 1 T 2.345e+07 0.00e+00 a 0 0 0 0 0 122 3.969 59.663 8.109 1 T 1.111e+07 0.00e+00 a 0 0 0 0 0 123 3.974 59.740 8.287 1 T 4.377e+06 0.00e+00 a 0 0 0 0 0 124 1.932 30.281 8.116 1 T 5.823e+06 0.00e+00 a 0 0 0 0 0 125 1.923 30.075 3.976 1 T 8.338e+06 0.00e+00 a 0 0 0 0 0 126 1.925 30.195 1.724 1 T 2.123e+07 0.00e+00 a 0 0 0 0 0 128 3.184 43.747 1.915 1 T 4.356e+06 0.00e+00 a 0 0 0 0 0 129 3.172 43.630 1.637 1 T 8.107e+06 0.00e+00 a 0 0 0 0 0 130 3.178 43.779 3.271 1 T 1.548e+08 0.00e+00 a 0 0 0 0 0 131 3.274 43.780 3.176 1 T 1.632e+08 0.00e+00 a 0 0 0 0 0 132 3.271 43.763 1.929 1 T 4.262e+06 0.00e+00 a 0 0 0 0 0 133 3.276 43.786 1.647 1 T 5.714e+06 0.00e+00 a 0 0 0 0 0 134 1.640 27.783 1.918 1 T 1.966e+07 0.00e+00 a 0 0 0 0 0 135 1.641 27.871 1.713 1 T 9.847e+07 0.00e+00 a 0 0 0 0 0 137 1.638 27.835 3.986 1 T 3.297e+06 0.00e+00 a 0 0 0 0 0 138 1.714 27.871 1.640 1 T 7.999e+07 0.00e+00 a 0 0 0 0 0 139 1.713 27.680 3.154 1 T 4.349e+06 0.00e+00 a 0 0 0 0 0 141 1.709 27.640 1.511 1 T 4.495e+07 0.00e+00 a 0 0 0 0 0 142 1.713 27.741 1.916 1 T 2.306e+07 0.00e+00 a 0 0 0 0 0 143 4.024 59.576 8.288 1 T 9.551e+06 0.00e+00 a 0 0 0 0 0 144 4.020 59.522 8.094 1 T 6.348e+06 0.00e+00 a 0 0 0 0 0 145 4.026 59.342 0.911 1 T 5.045e+06 0.00e+00 a 0 0 0 0 0 146 4.021 59.429 1.414 1 T 5.532e+06 0.00e+00 a 0 0 0 0 0 147 4.020 59.485 1.636 1 T 8.803e+06 0.00e+00 a 0 0 0 0 0 148 4.021 59.439 1.885 1 T 3.233e+07 0.00e+00 a 0 0 0 0 0 150 1.890 32.659 1.688 1 T 1.451e+07 0.00e+00 a 0 0 0 0 0 151 1.895 32.623 1.591 1 T 1.720e+07 0.00e+00 a 0 0 0 0 0 152 1.885 32.596 1.431 1 T 9.931e+06 0.00e+00 a 0 0 0 0 0 153 1.894 32.669 4.083 1 T 1.462e+07 0.00e+00 a 0 0 0 0 0 154 1.883 32.619 7.754 1 T 3.818e+06 0.00e+00 a 0 0 0 0 0 155 1.903 32.631 7.915 1 T 1.085e+07 0.00e+00 a 0 0 0 0 0 156 1.874 32.454 8.293 1 T 8.672e+06 0.00e+00 a 0 0 0 0 0 158 1.683 29.457 2.956 1 T 7.717e+06 0.00e+00 a 0 0 0 0 0 159 2.950 41.928 3.195 1 T 1.407e+07 0.00e+00 a 0 0 0 0 0 160 2.945 42.044 1.692 1 T 1.117e+07 0.00e+00 a 0 0 0 0 0 161 2.939 42.053 2.698 1 T 7.067e+06 0.00e+00 a 0 0 0 0 0 162 1.425 25.062 1.883 1 T 9.739e+06 0.00e+00 a 0 0 0 0 0 163 1.402 25.258 4.035 1 T 2.581e+06 0.00e+00 a 0 0 0 0 0 164 1.427 25.081 1.556 1 T 1.148e+08 0.00e+00 a 0 0 0 0 0 165 1.580 25.116 1.879 1 T 1.105e+07 0.00e+00 a 0 0 0 0 0 166 1.579 25.082 1.673 1 T 2.987e+07 0.00e+00 a 0 0 0 0 0 167 1.548 25.077 1.674 1 T 2.742e+07 0.00e+00 a 0 0 0 0 0 168 1.531 25.009 1.432 1 T 9.621e+07 0.00e+00 a 0 0 0 0 0 169 1.577 25.166 1.417 1 T 8.787e+07 0.00e+00 a 0 0 0 0 0 170 4.092 58.787 7.913 1 T 1.639e+07 0.00e+00 a 0 0 0 0 0 171 4.081 58.905 8.103 1 T 1.991e+07 0.00e+00 a 0 0 0 0 0 172 4.096 59.081 7.749 1 T 1.132e+07 0.00e+00 a 0 0 0 0 0 173 4.086 59.000 4.230 1 T 1.190e+07 0.00e+00 a 0 0 0 0 0 174 4.092 58.940 4.334 1 T 9.112e+06 0.00e+00 a 0 0 0 0 0 175 4.082 59.019 2.330 1 T 8.755e+06 0.00e+00 a 0 0 0 0 0 176 4.087 59.118 2.135 1 T 1.819e+07 0.00e+00 a 0 0 0 0 0 177 4.093 59.138 2.045 1 T 1.150e+07 0.00e+00 a 0 0 0 0 0 179 4.091 58.784 1.907 1 T 4.235e+07 0.00e+00 a 0 0 0 0 0 180 4.099 58.981 1.707 1 T 1.201e+07 0.00e+00 a 0 0 0 0 0 184 4.089 58.855 1.479 1 T 9.572e+06 0.00e+00 a 0 0 0 0 0 185 1.919 30.552 1.710 1 T 2.010e+07 0.00e+00 a 0 0 0 0 0 186 1.920 30.547 2.024 1 T 5.468e+07 0.00e+00 a 0 0 0 0 0 188 1.933 30.557 4.094 1 T 4.457e+06 0.00e+00 a 0 0 0 0 0 189 1.921 30.552 3.980 1 T 5.821e+06 0.00e+00 a 0 0 0 0 0 190 1.915 30.543 4.416 1 T 3.138e+06 0.00e+00 a 0 0 0 0 0 191 1.915 30.574 7.751 1 T 4.312e+06 0.00e+00 a 0 0 0 0 0 192 1.923 30.503 8.154 1 T 4.401e+06 0.00e+00 a 0 0 0 0 0 193 1.913 30.379 8.290 1 T 2.879e+06 0.00e+00 a 0 0 0 0 0 194 2.036 30.523 1.924 1 T 4.235e+07 0.00e+00 a 0 0 0 0 0 195 2.031 30.510 1.713 1 T 6.181e+06 0.00e+00 a 0 0 0 0 0 197 2.032 30.596 4.096 1 T 3.919e+06 0.00e+00 a 0 0 0 0 0 198 2.028 30.536 4.422 1 T 3.414e+06 0.00e+00 a 0 0 0 0 0 199 2.040 30.540 7.750 1 T 3.718e+06 0.00e+00 a 0 0 0 0 0 200 2.024 30.504 8.166 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 201 3.123 43.034 1.508 1 T 2.765e+06 0.00e+00 a 0 0 0 0 0 202 3.121 43.058 1.715 1 T 5.262e+06 0.00e+00 a 0 0 0 0 0 203 3.122 43.080 3.368 1 T 6.227e+07 0.00e+00 a 0 0 0 0 0 204 3.370 43.070 3.123 1 T 7.007e+07 0.00e+00 a 0 0 0 0 0 205 3.363 43.036 1.707 1 T 4.886e+06 0.00e+00 a 0 0 0 0 0 206 3.355 43.103 1.498 1 T 4.199e+06 0.00e+00 a 0 0 0 0 0 207 1.501 27.764 4.096 1 T 2.760e+06 0.00e+00 a 0 0 0 0 0 208 1.507 27.656 3.365 1 T 2.861e+06 0.00e+00 a 0 0 0 0 0 209 1.497 27.754 3.128 1 T 2.928e+06 0.00e+00 a 0 0 0 0 0 210 1.508 27.744 2.032 1 T 4.450e+06 0.00e+00 a 0 0 0 0 0 212 1.505 27.571 1.908 1 T 8.347e+06 0.00e+00 a 0 0 0 0 0 213 1.505 27.635 1.709 1 T 4.573e+07 0.00e+00 a 0 0 0 0 0 214 1.515 27.711 0.906 1 T 2.061e+06 0.00e+00 a 0 0 0 0 0 216 1.709 27.433 4.106 1 T 4.221e+06 0.00e+00 a 0 0 0 0 0 217 1.712 27.585 3.379 1 T 2.935e+06 0.00e+00 a 0 0 0 0 0 218 4.081 57.926 1.511 1 T 1.656e+07 0.00e+00 a 0 0 0 0 0 219 4.087 57.856 0.874 1 T 2.254e+07 0.00e+00 a 0 0 0 0 0 220 4.089 57.961 1.876 1 T 2.195e+07 0.00e+00 a 0 0 0 0 0 221 4.086 57.830 8.166 1 T 1.005e+07 0.00e+00 a 0 0 0 0 0 222 4.086 57.837 8.074 1 T 8.731e+06 0.00e+00 a 0 0 0 0 0 223 1.504 41.710 1.880 1 T 2.988e+07 0.00e+00 a 0 0 0 0 0 224 1.504 41.728 0.885 1 T 9.398e+06 0.00e+00 a 0 0 0 0 0 225 1.506 41.742 4.085 1 T 5.799e+06 0.00e+00 a 0 0 0 0 0 226 1.879 41.723 8.166 1 T 5.971e+06 0.00e+00 a 0 0 0 0 0 227 1.882 41.883 8.088 1 T 1.156e+07 0.00e+00 a 0 0 0 0 0 228 1.880 41.756 3.999 1 T 3.718e+06 0.00e+00 a 0 0 0 0 0 229 1.874 41.991 4.073 1 T 5.924e+06 0.00e+00 a 0 0 0 0 0 230 1.880 41.924 4.179 1 T 5.550e+06 0.00e+00 a 0 0 0 0 0 231 1.888 41.813 1.634 1 T 3.588e+07 0.00e+00 a 0 0 0 0 0 232 1.880 41.719 1.509 1 T 2.854e+07 0.00e+00 a 0 0 0 0 0 233 1.879 41.822 0.896 1 T 1.117e+07 0.00e+00 a 0 0 0 0 0 234 0.861 22.828 1.822 1 T 1.459e+07 0.00e+00 a 0 0 0 0 0 235 0.861 22.827 1.510 1 T 1.145e+07 0.00e+00 a 0 0 0 0 0 236 0.863 22.685 4.088 1 T 1.447e+07 0.00e+00 a 0 0 0 0 0 237 1.800 26.835 1.608 1 T 1.639e+07 0.00e+00 a 0 0 0 0 0 238 1.810 26.913 0.863 1 T 9.325e+06 0.00e+00 a 0 0 0 0 0 239 1.811 27.071 4.088 1 T 5.294e+06 0.00e+00 a 0 0 0 0 0 240 1.799 26.861 8.086 1 T 6.589e+06 0.00e+00 a 0 0 0 0 0 241 1.821 27.105 8.180 1 T 6.506e+06 0.00e+00 a 0 0 0 0 0 242 4.176 57.579 1.626 1 T 1.998e+07 0.00e+00 a 0 0 0 0 0 243 4.179 57.659 1.501 1 T 2.302e+07 0.00e+00 a 0 0 0 0 0 244 4.180 57.649 1.884 1 T 2.515e+07 0.00e+00 a 0 0 0 0 0 245 4.179 57.438 1.851 1 T 2.247e+07 0.00e+00 a 0 0 0 0 0 246 4.174 57.502 0.894 1 T 2.842e+07 0.00e+00 a 0 0 0 0 0 247 4.185 57.400 7.980 1 T 8.215e+06 0.00e+00 a 0 0 0 0 0 248 4.176 57.621 8.088 1 T 2.399e+07 0.00e+00 a 0 0 0 0 0 249 4.173 57.522 7.896 1 T 1.537e+07 0.00e+00 a 0 0 0 0 0 250 4.190 57.610 7.883 1 T 1.275e+07 0.00e+00 a 0 0 0 0 0 251 1.623 41.903 7.958 1 T 3.498e+06 0.00e+00 a 0 0 0 0 0 252 1.633 41.889 1.884 1 T 4.382e+07 0.00e+00 a 0 0 0 0 0 254 1.760 27.091 8.085 1 T 6.204e+06 0.00e+00 a 0 0 0 0 0 255 1.739 26.852 7.967 1 T 3.684e+06 0.00e+00 a 0 0 0 0 0 256 1.810 27.208 1.524 1 T 7.135e+06 0.00e+00 a 0 0 0 0 0 257 2.105 29.324 8.106 1 T 6.538e+06 0.00e+00 a 0 0 0 0 0 258 2.109 29.367 4.086 1 T 5.952e+06 0.00e+00 a 0 0 0 0 0 260 2.116 29.194 2.414 1 T 9.228e+06 0.00e+00 a 0 0 0 0 0 261 2.109 29.482 2.322 1 T 1.563e+07 0.00e+00 a 0 0 0 0 0 262 2.110 29.270 2.166 1 T 7.779e+07 0.00e+00 a 0 0 0 0 0 263 2.167 29.270 2.111 1 T 7.115e+07 0.00e+00 a 0 0 0 0 0 264 2.167 29.361 2.324 1 T 1.283e+07 0.00e+00 a 0 0 0 0 0 265 2.173 29.270 2.414 1 T 6.966e+06 0.00e+00 a 0 0 0 0 0 266 2.171 29.347 4.080 1 T 4.309e+06 0.00e+00 a 0 0 0 0 0 267 2.165 29.410 8.104 1 T 4.580e+06 0.00e+00 a 0 0 0 0 0 268 2.342 36.095 8.094 1 T 2.750e+06 0.00e+00 a 0 0 0 0 0 269 2.347 36.261 3.458 1 T 1.886e+06 0.00e+00 a 0 0 0 0 0 270 2.334 36.329 4.092 1 T 2.417e+06 0.00e+00 a 0 0 0 0 0 271 2.345 36.370 2.144 1 T 1.706e+07 0.00e+00 a 0 0 0 0 0 272 2.339 36.294 2.426 1 T 1.266e+08 0.00e+00 a 0 0 0 0 0 274 2.425 36.278 2.134 1 T 2.143e+07 0.00e+00 a 0 0 0 0 0 275 2.428 36.281 2.336 1 T 1.326e+08 0.00e+00 a 0 0 0 0 0 276 2.418 36.322 4.081 1 T 3.498e+06 0.00e+00 a 0 0 0 0 0 277 2.428 36.452 8.118 1 T 2.693e+06 0.00e+00 a 0 0 0 0 0 283 4.173 57.441 4.825 1 T 4.717e+06 0.00e+00 a 0 0 0 0 0 284 4.172 57.529 4.421 1 T 9.064e+06 0.00e+00 a 0 0 0 0 0 285 1.861 42.096 8.092 1 T 8.762e+06 0.00e+00 a 0 0 0 0 0 286 1.856 42.102 7.904 1 T 2.150e+06 0.00e+00 a 0 0 0 0 0 287 1.864 41.987 1.621 1 T 3.438e+07 0.00e+00 a 0 0 0 0 0 288 0.928 25.260 1.491 1 T 1.468e+07 0.00e+00 a 0 0 0 0 0 289 0.895 23.413 2.057 1 T 9.215e+06 0.00e+00 a 0 0 0 0 0 291 0.894 23.323 1.447 1 T 1.566e+07 0.00e+00 a 0 0 0 0 0 292 0.886 23.313 1.628 1 T 2.293e+07 0.00e+00 a 0 0 0 0 0 293 0.897 23.278 1.770 1 T 1.851e+07 0.00e+00 a 0 0 0 0 0 294 0.885 23.357 1.864 1 T 1.554e+07 0.00e+00 a 0 0 0 0 0 296 4.217 53.880 1.482 1 T 6.493e+07 0.00e+00 a 0 0 0 0 0 297 4.219 54.204 7.912 1 T 2.205e+07 0.00e+00 a 0 0 0 0 0 299 1.496 18.420 4.208 1 T 3.449e+07 0.00e+00 a 0 0 0 0 0 301 1.501 18.335 7.903 1 T 2.388e+07 0.00e+00 a 0 0 0 0 0 302 3.089 39.360 2.864 1 T 1.140e+08 0.00e+00 a 0 0 0 0 0 303 4.094 58.594 1.445 1 T 7.800e+06 0.00e+00 a 0 0 0 0 0 304 4.089 58.578 2.138 1 T 1.191e+07 0.00e+00 a 0 0 0 0 0 305 1.903 32.772 1.707 1 T 1.318e+07 0.00e+00 a 0 0 0 0 0 306 1.690 29.475 1.440 1 T 5.398e+07 0.00e+00 a 0 0 0 0 0 307 1.693 29.589 1.895 1 T 1.589e+07 0.00e+00 a 0 0 0 0 0 308 1.690 29.396 1.552 1 T 4.408e+07 0.00e+00 a 0 0 0 0 0 309 2.949 42.089 3.303 1 T 3.987e+06 0.00e+00 a 0 0 0 0 0 310 1.430 25.052 1.675 1 T 4.453e+07 0.00e+00 a 0 0 0 0 0 311 1.427 25.120 2.965 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 312 1.433 25.089 4.091 1 T 2.250e+06 0.00e+00 a 0 0 0 0 0 314 1.595 25.062 4.064 1 T 2.362e+06 0.00e+00 a 0 0 0 0 0 315 1.594 25.247 7.928 1 T 1.714e+06 0.00e+00 a 0 0 0 0 0 316 1.476 18.567 7.890 1 T 1.499e+07 0.00e+00 a 0 0 0 0 0 317 1.472 18.567 1.241 1 T 1.756e+07 0.00e+00 a 0 0 0 0 0 319 4.216 53.636 7.957 1 T 1.293e+07 0.00e+00 a 0 0 0 0 0 320 1.475 18.652 0.905 1 T 6.604e+06 0.00e+00 a 0 0 0 0 0 322 1.855 32.803 4.194 1 T 3.541e+06 0.00e+00 a 0 0 0 0 0 325 2.977 42.180 3.223 1 T 6.993e+06 0.00e+00 a 0 0 0 0 0 326 1.532 24.992 4.204 1 T 1.685e+06 0.00e+00 a 0 0 0 0 0 327 4.313 55.968 8.109 1 T 7.405e+06 0.00e+00 a 0 0 0 0 0 328 1.702 42.151 7.964 1 T 5.346e+06 0.00e+00 a 0 0 0 0 0 329 0.876 23.352 4.307 1 T 1.393e+07 0.00e+00 a 0 0 0 0 0 330 4.411 58.928 3.924 1 T 2.188e+07 0.00e+00 a 0 0 0 0 0 331 4.412 58.783 8.121 1 T 7.821e+06 0.00e+00 a 0 0 0 0 0 332 3.918 63.720 4.403 1 T 7.561e+06 0.00e+00 a 0 0 0 0 0 333 4.316 56.121 8.240 1 T 7.473e+06 0.00e+00 a 0 0 0 0 0 334 4.315 56.100 4.165 1 T 1.084e+07 0.00e+00 a 0 0 0 0 0 335 4.314 56.248 1.889 1 T 9.874e+06 0.00e+00 a 0 0 0 0 0 336 1.753 30.655 1.632 1 T 1.995e+07 0.00e+00 a 0 0 0 0 0 337 1.757 30.657 1.871 1 T 7.104e+07 0.00e+00 a 0 0 0 0 0 338 1.757 30.488 4.316 1 T 2.494e+06 0.00e+00 a 0 0 0 0 0 339 1.869 30.670 1.637 1 T 2.251e+07 0.00e+00 a 0 0 0 0 0 340 1.871 30.665 1.756 1 T 7.693e+07 0.00e+00 a 0 0 0 0 0 341 1.865 30.773 4.315 1 T 2.507e+06 0.00e+00 a 0 0 0 0 0 342 3.184 43.373 1.635 1 T 5.984e+06 0.00e+00 a 0 0 0 0 0 344 1.621 27.291 3.159 1 T 3.328e+06 0.00e+00 a 0 0 0 0 0 345 4.223 55.941 1.930 1 T 8.460e+06 0.00e+00 a 0 0 0 0 0 346 1.923 29.490 2.239 1 T 6.439e+06 0.00e+00 a 0 0 0 0 0 347 1.932 29.505 4.220 1 T 2.087e+06 0.00e+00 a 0 0 0 0 0 348 2.260 33.638 1.940 1 T 1.142e+07 0.00e+00 a 0 0 0 0 0 349 4.623 55.395 4.836 1 T 1.437e+07 0.00e+00 a 0 0 0 0 0 350 3.088 29.999 3.162 1 T 1.455e+08 0.00e+00 a 0 0 0 0 0 351 3.164 30.030 3.089 1 T 1.590e+08 0.00e+00 a 0 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-aliphatic . . 14.0261 ppm . . . 4.701 . . 34576 2 2 . . C 13 C-aliphatic . . 59.1653 ppm . . . 40.5 . . 34576 2 3 . . H 1 H . . 9.9778 ppm . . . 4.701 . . 34576 2 stop_ save_