######################### # 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 34347 _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.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-13C RFDR' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _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 # INAME 1 HC # INAME 2 C # INAME 3 H 1 4.151 54.389 10.484 1 T 9.287e+05 0.00e+00 a 0 0 0 0 0 2 4.199 54.248 10.475 1 T 9.055e+05 0.00e+00 a 0 0 0 0 0 3 -0.923 47.187 10.467 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 4 2.392 23.081 10.477 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 5 2.368 41.335 10.453 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0 6 1.921 37.130 10.420 1 T 9.894e+05 0.00e+00 a 0 0 0 0 0 7 0.797 27.214 10.421 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0 8 4.537 56.795 10.408 1 T 9.945e+05 0.00e+00 a 0 0 0 0 0 9 2.911 42.228 10.403 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 10 2.412 41.483 10.391 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 11 1.157 30.054 10.370 1 T 9.363e+05 0.00e+00 a 0 0 0 0 0 12 0.795 27.258 10.391 1 T 1.104e+06 0.00e+00 a 0 0 0 0 0 13 8.401 70.152 10.359 1 T 9.434e+05 0.00e+00 a 0 0 0 0 0 14 4.569 56.908 10.353 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0 15 1.601 28.997 10.365 1 T 9.776e+05 0.00e+00 a 0 0 0 0 0 16 1.568 31.286 10.233 1 T 9.925e+05 0.00e+00 a 0 0 0 0 0 17 0.652 25.225 10.237 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0 18 4.071 54.760 10.217 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0 19 4.929 51.903 10.216 1 T 9.952e+05 0.00e+00 a 0 0 0 0 0 20 3.498 64.698 10.178 1 T 9.116e+05 0.00e+00 a 0 0 0 0 0 21 1.600 31.361 10.176 1 T 1.010e+06 0.00e+00 a 0 0 0 0 0 22 4.664 57.838 10.148 1 T 1.441e+06 0.00e+00 a 0 0 0 0 0 23 6.733 52.629 10.159 1 T 1.059e+06 0.00e+00 a 0 0 0 0 0 24 3.405 42.091 10.156 1 T 9.716e+05 0.00e+00 a 0 0 0 0 0 25 1.999 32.408 10.127 1 T 1.086e+06 0.00e+00 a 0 0 0 0 0 26 0.722 68.803 10.099 1 T 9.143e+05 0.00e+00 a 0 0 0 0 0 27 5.070 51.364 10.090 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 28 -0.085 40.017 10.083 1 T 9.079e+05 0.00e+00 a 0 0 0 0 0 29 2.317 40.562 10.062 1 T 9.346e+05 0.00e+00 a 0 0 0 0 0 30 0.698 25.243 10.070 1 T 1.217e+06 0.00e+00 a 0 0 0 0 0 31 4.737 43.794 10.041 1 T 9.744e+05 0.00e+00 a 0 0 0 0 0 32 1.297 22.561 10.024 1 T 1.422e+06 0.00e+00 a 0 0 0 0 0 33 1.844 27.019 10.013 1 T 1.175e+06 0.00e+00 a 0 0 0 0 0 34 5.300 13.849 10.020 1 T 8.447e+05 0.00e+00 a 0 0 0 0 0 35 1.363 18.553 9.985 1 T 9.764e+05 0.00e+00 a 0 0 0 0 0 36 3.922 55.998 9.877 1 T 1.135e+06 0.00e+00 a 0 0 0 0 0 37 4.348 50.639 9.867 1 T 9.365e+05 0.00e+00 a 0 0 0 0 0 38 1.078 20.813 9.861 1 T 1.123e+06 0.00e+00 a 0 0 0 0 0 39 4.702 55.647 9.849 1 T 1.627e+06 0.00e+00 a 0 0 0 0 0 40 1.484 42.463 9.847 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0 41 4.443 60.447 9.803 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 42 5.230 51.417 9.795 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0 43 1.796 33.358 9.779 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 44 0.564 15.501 9.791 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 45 0.961 41.228 9.770 1 T 9.232e+05 0.00e+00 a 0 0 0 0 0 46 1.377 30.284 9.751 1 T 9.111e+05 0.00e+00 a 0 0 0 0 0 47 0.826 26.491 9.764 1 T 1.288e+06 0.00e+00 a 0 0 0 0 0 48 2.054 32.839 9.732 1 T 1.417e+06 0.00e+00 a 0 0 0 0 0 49 3.187 30.660 9.745 1 T 8.813e+05 0.00e+00 a 0 0 0 0 0 50 0.884 28.730 9.736 1 T 9.657e+05 0.00e+00 a 0 0 0 0 0 51 1.406 30.403 9.702 1 T 9.503e+05 0.00e+00 a 0 0 0 0 0 52 1.031 23.869 9.688 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 53 0.790 15.853 9.684 1 T 9.024e+05 0.00e+00 a 0 0 0 0 0 54 3.435 58.279 9.668 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0 55 5.994 57.351 9.672 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 56 5.480 54.232 9.669 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 57 5.283 55.369 9.630 1 T 1.265e+06 0.00e+00 a 0 0 0 0 0 58 0.644 45.709 9.627 1 T 8.752e+05 0.00e+00 a 0 0 0 0 0 59 3.588 43.717 9.644 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 60 4.260 61.741 9.624 1 T 1.099e+06 0.00e+00 a 0 0 0 0 0 61 1.962 40.514 9.604 1 T 1.298e+06 0.00e+00 a 0 0 0 0 0 62 0.403 22.560 9.621 1 T 1.173e+06 0.00e+00 a 0 0 0 0 0 63 0.542 32.642 9.582 1 T 9.148e+05 0.00e+00 a 0 0 0 0 0 64 0.516 26.432 9.584 1 T 1.053e+06 0.00e+00 a 0 0 0 0 0 65 5.917 54.164 9.553 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 66 1.650 39.192 9.557 1 T 9.678e+05 0.00e+00 a 0 0 0 0 0 67 6.727 35.894 9.557 1 T 1.019e+06 0.00e+00 a 0 0 0 0 0 68 1.929 17.406 9.559 1 T 9.809e+05 0.00e+00 a 0 0 0 0 0 69 1.944 17.476 9.516 1 T 9.371e+05 0.00e+00 a 0 0 0 0 0 70 3.658 43.382 9.503 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 71 1.399 61.471 9.455 1 T 9.068e+05 0.00e+00 a 0 0 0 0 0 72 2.845 41.029 9.455 1 T 1.977e+06 0.00e+00 a 0 0 0 0 0 73 1.360 23.380 9.463 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 74 4.778 61.503 9.448 1 T 1.411e+06 0.00e+00 a 0 0 0 0 0 75 1.321 23.669 9.437 1 T 1.210e+06 0.00e+00 a 0 0 0 0 0 76 3.659 43.238 9.412 1 T 9.842e+05 0.00e+00 a 0 0 0 0 0 77 0.668 18.009 9.418 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 78 5.163 36.612 9.381 1 T 8.931e+05 0.00e+00 a 0 0 0 0 0 79 0.593 18.245 9.403 1 T 1.167e+06 0.00e+00 a 0 0 0 0 0 80 1.684 54.429 9.311 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 81 4.406 63.105 9.301 1 T 9.459e+05 0.00e+00 a 0 0 0 0 0 82 3.951 52.527 9.289 1 T 9.546e+05 0.00e+00 a 0 0 0 0 0 83 7.140 39.280 9.269 1 T 1.046e+06 0.00e+00 a 0 0 0 0 0 84 -0.008 34.067 9.270 1 T 9.783e+05 0.00e+00 a 0 0 0 0 0 85 1.690 54.174 9.214 1 T 1.077e+06 0.00e+00 a 0 0 0 0 0 86 1.573 7.843 9.228 1 T 8.598e+05 0.00e+00 a 0 0 0 0 0 87 2.484 43.757 9.185 1 T 1.080e+06 0.00e+00 a 0 0 0 0 0 88 0.672 30.793 9.203 1 T 1.039e+06 0.00e+00 a 0 0 0 0 0 89 1.983 47.059 9.159 1 T 9.198e+05 0.00e+00 a 0 0 0 0 0 90 1.716 42.243 9.166 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0 91 -0.913 23.159 9.164 1 T 1.106e+06 0.00e+00 a 0 0 0 0 0 92 3.898 67.958 9.137 1 T 9.291e+05 0.00e+00 a 0 0 0 0 0 93 2.734 52.824 9.145 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0 94 1.844 44.317 9.143 1 T 9.281e+05 0.00e+00 a 0 0 0 0 0 95 4.757 44.207 9.142 1 T 8.885e+05 0.00e+00 a 0 0 0 0 0 96 2.229 35.550 9.148 1 T 2.366e+06 0.00e+00 a 0 0 0 0 0 97 -0.883 23.096 9.151 1 T 1.122e+06 0.00e+00 a 0 0 0 0 0 98 1.930 55.064 9.134 1 T 1.183e+06 0.00e+00 a 0 0 0 0 0 99 5.799 54.895 9.111 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 100 2.312 54.445 9.126 1 T 9.192e+05 0.00e+00 a 0 0 0 0 0 101 1.673 53.888 9.128 1 T 1.069e+06 0.00e+00 a 0 0 0 0 0 102 2.679 52.600 9.121 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 103 2.616 44.344 9.124 1 T 9.799e+05 0.00e+00 a 0 0 0 0 0 104 1.942 41.263 9.119 1 T 1.174e+06 0.00e+00 a 0 0 0 0 0 105 4.087 44.578 9.101 1 T 1.469e+06 0.00e+00 a 0 0 0 0 0 106 1.604 14.538 9.105 1 T 9.534e+05 0.00e+00 a 0 0 0 0 0 107 3.571 65.613 9.072 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 108 1.628 53.591 9.077 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0 109 5.686 52.319 9.071 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 110 4.501 70.774 9.053 1 T 1.027e+06 0.00e+00 a 0 0 0 0 0 111 3.529 65.702 9.047 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0 112 6.210 53.209 9.055 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 113 4.211 65.467 9.017 1 T 9.125e+05 0.00e+00 a 0 0 0 0 0 114 4.942 60.821 9.021 1 T 1.606e+06 0.00e+00 a 0 0 0 0 0 115 5.494 51.410 9.020 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 116 3.600 44.212 9.017 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0 117 1.911 36.156 9.019 1 T 2.058e+06 0.00e+00 a 0 0 0 0 0 118 0.816 41.446 8.997 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 119 2.260 63.367 8.979 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 120 5.753 57.178 8.973 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 121 6.936 38.894 8.977 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0 122 2.622 37.357 8.968 1 T 1.007e+06 0.00e+00 a 0 0 0 0 0 123 0.313 60.142 8.959 1 T 8.869e+05 0.00e+00 a 0 0 0 0 0 124 3.795 56.358 8.949 1 T 2.766e+06 0.00e+00 a 0 0 0 0 0 125 7.226 49.834 8.942 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 126 0.785 41.350 8.945 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 127 -0.580 19.941 8.940 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0 128 4.835 52.641 8.929 1 T 4.436e+06 0.00e+00 a 0 0 0 0 0 129 4.814 41.095 8.917 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0 130 -0.145 19.938 8.916 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 131 4.527 53.652 8.902 1 T 6.144e+06 0.00e+00 a 0 0 0 0 0 132 1.548 44.628 8.912 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 133 1.292 42.770 8.904 1 T 1.133e+06 0.00e+00 a 0 0 0 0 0 134 2.953 38.392 8.895 1 T 1.034e+06 0.00e+00 a 0 0 0 0 0 135 2.586 37.852 8.897 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0 136 0.971 14.304 8.889 1 T 1.140e+06 0.00e+00 a 0 0 0 0 0 137 2.310 55.776 8.880 1 T 1.130e+06 0.00e+00 a 0 0 0 0 0 138 7.213 49.948 8.881 1 T 1.107e+06 0.00e+00 a 0 0 0 0 0 139 0.953 14.361 8.876 1 T 1.198e+06 0.00e+00 a 0 0 0 0 0 140 2.474 69.815 8.856 1 T 9.853e+05 0.00e+00 a 0 0 0 0 0 141 4.608 62.228 8.847 1 T 2.535e+06 0.00e+00 a 0 0 0 0 0 142 4.270 61.905 8.850 1 T 2.898e+06 0.00e+00 a 0 0 0 0 0 143 1.579 41.544 8.851 1 T 1.815e+06 0.00e+00 a 0 0 0 0 0 144 2.779 29.266 8.841 1 T 1.005e+06 0.00e+00 a 0 0 0 0 0 145 1.258 24.975 8.848 1 T 3.243e+06 0.00e+00 a 0 0 0 0 0 146 -0.137 20.104 8.855 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0 147 -0.721 13.918 8.854 1 T 9.675e+05 0.00e+00 a 0 0 0 0 0 148 1.847 62.504 8.838 1 T 9.768e+05 0.00e+00 a 0 0 0 0 0 149 4.645 62.126 8.827 1 T 2.527e+06 0.00e+00 a 0 0 0 0 0 150 2.549 38.097 8.832 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 151 1.570 34.305 8.814 1 T 1.591e+06 0.00e+00 a 0 0 0 0 0 152 1.027 30.667 8.825 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 153 4.451 60.372 8.791 1 T 2.749e+06 0.00e+00 a 0 0 0 0 0 154 4.787 50.281 8.792 1 T 2.731e+06 0.00e+00 a 0 0 0 0 0 155 0.743 40.955 8.803 1 T 9.917e+05 0.00e+00 a 0 0 0 0 0 156 1.389 18.974 8.792 1 T 2.596e+06 0.00e+00 a 0 0 0 0 0 157 0.553 13.847 8.813 1 T 1.427e+06 0.00e+00 a 0 0 0 0 0 158 -0.212 13.685 8.793 1 T 9.532e+05 0.00e+00 a 0 0 0 0 0 159 2.074 53.112 8.784 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 160 5.052 48.755 8.772 1 T 1.561e+06 0.00e+00 a 0 0 0 0 0 161 0.919 38.380 8.764 1 T 9.638e+05 0.00e+00 a 0 0 0 0 0 162 1.952 30.904 8.786 1 T 3.890e+06 0.00e+00 a 0 0 0 0 0 163 0.718 25.137 8.776 1 T 4.013e+06 0.00e+00 a 0 0 0 0 0 164 5.359 11.269 8.785 1 T 1.113e+06 0.00e+00 a 0 0 0 0 0 165 4.591 67.775 8.764 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 166 1.837 62.381 8.742 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0 167 4.846 60.807 8.760 1 T 1.803e+06 0.00e+00 a 0 0 0 0 0 168 1.825 58.104 8.743 1 T 9.517e+05 0.00e+00 a 0 0 0 0 0 169 3.969 57.891 8.753 1 T 3.669e+06 0.00e+00 a 0 0 0 0 0 170 2.953 53.080 8.745 1 T 9.930e+05 0.00e+00 a 0 0 0 0 0 171 1.475 39.311 8.746 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 172 1.515 36.485 8.751 1 T 9.988e+05 0.00e+00 a 0 0 0 0 0 173 1.028 30.775 8.764 1 T 1.169e+06 0.00e+00 a 0 0 0 0 0 174 1.708 28.606 8.758 1 T 4.598e+06 0.00e+00 a 0 0 0 0 0 175 4.340 70.681 8.725 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 176 5.461 56.324 8.737 1 T 1.951e+06 0.00e+00 a 0 0 0 0 0 177 -0.228 13.642 8.738 1 T 9.395e+05 0.00e+00 a 0 0 0 0 0 178 1.789 57.782 8.710 1 T 1.022e+06 0.00e+00 a 0 0 0 0 0 179 0.125 31.864 8.697 1 T 9.292e+05 0.00e+00 a 0 0 0 0 0 180 5.458 70.413 8.673 1 T 9.146e+05 0.00e+00 a 0 0 0 0 0 181 5.861 54.423 8.674 1 T 9.361e+05 0.00e+00 a 0 0 0 0 0 182 6.819 51.312 8.682 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0 183 3.472 71.425 8.662 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 184 4.715 61.813 8.666 1 T 2.341e+06 0.00e+00 a 0 0 0 0 0 185 8.359 55.782 8.656 1 T 1.132e+06 0.00e+00 a 0 0 0 0 0 186 4.514 68.883 8.631 1 T 9.665e+05 0.00e+00 a 0 0 0 0 0 187 7.084 51.477 8.636 1 T 9.033e+05 0.00e+00 a 0 0 0 0 0 188 6.739 50.999 8.627 1 T 9.871e+05 0.00e+00 a 0 0 0 0 0 189 2.079 39.696 8.621 1 T 1.346e+06 0.00e+00 a 0 0 0 0 0 190 1.784 52.356 8.616 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0 191 3.441 48.853 8.592 1 T 9.807e+05 0.00e+00 a 0 0 0 0 0 192 2.125 44.235 8.598 1 T 8.982e+05 0.00e+00 a 0 0 0 0 0 193 2.153 44.197 8.603 1 T 8.868e+05 0.00e+00 a 0 0 0 0 0 194 4.881 65.052 8.578 1 T 9.708e+05 0.00e+00 a 0 0 0 0 0 195 7.064 51.407 8.585 1 T 8.977e+05 0.00e+00 a 0 0 0 0 0 196 2.968 31.517 8.583 1 T 1.156e+06 0.00e+00 a 0 0 0 0 0 197 3.154 56.807 8.555 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0 198 3.412 52.953 8.559 1 T 1.549e+06 0.00e+00 a 0 0 0 0 0 199 4.001 44.024 8.549 1 T 1.770e+06 0.00e+00 a 0 0 0 0 0 200 6.830 36.255 8.546 1 T 9.715e+05 0.00e+00 a 0 0 0 0 0 201 3.510 28.693 8.563 1 T 9.702e+05 0.00e+00 a 0 0 0 0 0 202 1.509 46.490 8.536 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0 203 3.764 69.388 8.503 1 T 1.166e+06 0.00e+00 a 0 0 0 0 0 204 3.603 66.965 8.513 1 T 1.087e+06 0.00e+00 a 0 0 0 0 0 205 3.184 56.874 8.507 1 T 9.535e+05 0.00e+00 a 0 0 0 0 0 206 0.875 42.174 8.496 1 T 9.796e+05 0.00e+00 a 0 0 0 0 0 207 3.190 39.711 8.515 1 T 1.154e+06 0.00e+00 a 0 0 0 0 0 208 7.229 38.991 8.506 1 T 8.641e+05 0.00e+00 a 0 0 0 0 0 209 5.458 50.341 8.473 1 T 1.368e+06 0.00e+00 a 0 0 0 0 0 210 3.524 42.207 8.480 1 T 9.970e+05 0.00e+00 a 0 0 0 0 0 211 2.827 37.447 8.489 1 T 1.249e+06 0.00e+00 a 0 0 0 0 0 212 3.761 69.463 8.451 1 T 1.255e+06 0.00e+00 a 0 0 0 0 0 213 3.994 62.878 8.464 1 T 3.533e+06 0.00e+00 a 0 0 0 0 0 214 3.198 56.894 8.455 1 T 9.462e+05 0.00e+00 a 0 0 0 0 0 215 3.706 48.805 8.463 1 T 9.341e+05 0.00e+00 a 0 0 0 0 0 216 3.756 45.068 8.467 1 T 1.501e+06 0.00e+00 a 0 0 0 0 0 217 1.237 35.136 8.459 1 T 9.274e+05 0.00e+00 a 0 0 0 0 0 218 0.747 18.526 8.450 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0 219 3.610 66.680 8.429 1 T 1.147e+06 0.00e+00 a 0 0 0 0 0 220 1.449 41.294 8.424 1 T 1.544e+06 0.00e+00 a 0 0 0 0 0 221 3.820 59.887 8.399 1 T 2.079e+06 0.00e+00 a 0 0 0 0 0 222 4.325 57.780 8.396 1 T 4.349e+06 0.00e+00 a 0 0 0 0 0 223 -0.525 37.791 8.403 1 T 8.255e+05 0.00e+00 a 0 0 0 0 0 224 1.470 26.136 8.417 1 T 4.405e+06 0.00e+00 a 0 0 0 0 0 225 0.847 14.742 8.407 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0 226 4.187 70.529 8.379 1 T 1.002e+06 0.00e+00 a 0 0 0 0 0 227 5.519 57.885 8.390 1 T 1.315e+06 0.00e+00 a 0 0 0 0 0 228 3.225 56.870 8.386 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 229 6.527 49.613 8.377 1 T 9.301e+05 0.00e+00 a 0 0 0 0 0 230 2.859 41.182 8.370 1 T 3.773e+06 0.00e+00 a 0 0 0 0 0 231 1.261 34.997 8.386 1 T 9.580e+05 0.00e+00 a 0 0 0 0 0 232 2.893 33.883 8.387 1 T 9.743e+05 0.00e+00 a 0 0 0 0 0 233 -0.263 21.424 8.382 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 234 0.717 14.112 8.388 1 T 1.254e+06 0.00e+00 a 0 0 0 0 0 235 1.213 13.219 8.377 1 T 9.021e+05 0.00e+00 a 0 0 0 0 0 236 5.565 52.611 8.358 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 237 4.026 7.657 8.364 1 T 1.013e+06 0.00e+00 a 0 0 0 0 0 238 3.993 51.602 8.335 1 T 1.492e+06 0.00e+00 a 0 0 0 0 0 239 3.735 50.477 8.325 1 T 1.193e+06 0.00e+00 a 0 0 0 0 0 240 6.527 49.557 8.337 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 241 0.690 13.980 8.344 1 T 1.200e+06 0.00e+00 a 0 0 0 0 0 242 4.110 56.924 8.307 1 T 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1 T 1.008e+06 0.00e+00 a 0 0 0 0 0 1101 1.463 13.159 1.109 1 T 1.171e+06 0.00e+00 a 0 0 0 0 0 1102 3.549 56.560 1.074 1 T 5.671e+06 0.00e+00 a 0 0 0 0 0 1103 1.820 12.738 1.097 1 T 1.085e+06 0.00e+00 a 0 0 0 0 0 1104 1.532 63.090 1.068 1 T 1.465e+06 0.00e+00 a 0 0 0 0 0 1105 0.718 50.024 1.057 1 T 8.906e+05 0.00e+00 a 0 0 0 0 0 1106 2.943 35.225 1.066 1 T 9.641e+05 0.00e+00 a 0 0 0 0 0 1107 1.777 12.839 1.058 1 T 1.131e+06 0.00e+00 a 0 0 0 0 0 1108 0.722 57.272 1.005 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 1109 6.430 46.042 1.007 1 T 1.018e+06 0.00e+00 a 0 0 0 0 0 1110 3.379 44.002 1.017 1 T 1.962e+06 0.00e+00 a 0 0 0 0 0 1111 -0.741 28.218 1.003 1 T 9.436e+05 0.00e+00 a 0 0 0 0 0 1112 2.231 52.704 0.984 1 T 1.495e+06 0.00e+00 a 0 0 0 0 0 1113 4.231 44.136 0.985 1 T 1.910e+06 0.00e+00 a 0 0 0 0 0 1114 0.562 39.032 0.976 1 T 1.071e+06 0.00e+00 a 0 0 0 0 0 1115 8.968 71.722 0.961 1 T 9.763e+05 0.00e+00 a 0 0 0 0 0 1116 0.445 59.486 0.962 1 T 8.795e+05 0.00e+00 a 0 0 0 0 0 1117 8.889 53.209 0.964 1 T 9.996e+05 0.00e+00 a 0 0 0 0 0 1118 3.072 35.587 0.953 1 T 9.706e+05 0.00e+00 a 0 0 0 0 0 1119 0.056 31.402 0.960 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 1120 0.642 55.072 0.931 1 T 8.957e+05 0.00e+00 a 0 0 0 0 0 1121 3.584 32.779 0.937 1 T 1.079e+06 0.00e+00 a 0 0 0 0 0 1122 6.217 47.790 0.910 1 T 2.056e+06 0.00e+00 a 0 0 0 0 0 1123 4.095 38.426 0.910 1 T 9.807e+05 0.00e+00 a 0 0 0 0 0 1124 1.772 16.875 0.906 1 T 2.175e+06 0.00e+00 a 0 0 0 0 0 1125 1.804 16.808 0.917 1 T 2.109e+06 0.00e+00 a 0 0 0 0 0 1126 -0.343 61.128 0.878 1 T 8.730e+05 0.00e+00 a 0 0 0 0 0 1127 8.407 55.985 0.894 1 T 9.602e+05 0.00e+00 a 0 0 0 0 0 1128 6.716 56.000 0.884 1 T 1.094e+06 0.00e+00 a 0 0 0 0 0 1129 3.766 69.297 0.848 1 T 3.367e+06 0.00e+00 a 0 0 0 0 0 1130 2.046 62.031 0.848 1 T 1.706e+06 0.00e+00 a 0 0 0 0 0 1131 2.106 32.828 0.831 1 T 1.007e+07 0.00e+00 a 0 0 0 0 0 1132 8.776 54.968 0.825 1 T 1.042e+06 0.00e+00 a 0 0 0 0 0 1133 6.884 44.659 0.827 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 1134 6.368 35.632 0.816 1 T 9.878e+05 0.00e+00 a 0 0 0 0 0 1135 3.893 32.522 0.802 1 T 1.084e+06 0.00e+00 a 0 0 0 0 0 1136 3.980 61.178 0.781 1 T 6.884e+06 0.00e+00 a 0 0 0 0 0 1137 3.820 59.887 0.786 1 T 6.345e+06 0.00e+00 a 0 0 0 0 0 1138 9.028 52.340 0.782 1 T 9.161e+05 0.00e+00 a 0 0 0 0 0 1139 7.078 49.812 0.789 1 T 2.969e+06 0.00e+00 a 0 0 0 0 0 1140 8.457 45.755 0.787 1 T 9.552e+05 0.00e+00 a 0 0 0 0 0 1141 3.013 32.189 0.794 1 T 1.851e+06 0.00e+00 a 0 0 0 0 0 1142 3.709 31.359 0.794 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 1143 3.348 63.784 0.771 1 T 3.860e+06 0.00e+00 a 0 0 0 0 0 1144 4.491 60.503 0.766 1 T 9.256e+06 0.00e+00 a 0 0 0 0 0 1145 6.689 55.805 0.769 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0 1146 1.770 52.616 0.760 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0 1147 1.059 49.423 0.763 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 1148 1.305 46.675 0.769 1 T 2.382e+06 0.00e+00 a 0 0 0 0 0 1149 -0.196 42.718 0.764 1 T 9.818e+05 0.00e+00 a 0 0 0 0 0 1150 1.597 41.304 0.771 1 T 7.177e+06 0.00e+00 a 0 0 0 0 0 1151 3.067 31.606 0.755 1 T 1.759e+06 0.00e+00 a 0 0 0 0 0 1152 1.489 26.449 0.759 1 T 2.899e+07 0.00e+00 a 0 0 0 0 0 1153 4.081 62.400 0.729 1 T 6.516e+06 0.00e+00 a 0 0 0 0 0 1154 4.656 61.866 0.753 1 T 6.446e+06 0.00e+00 a 0 0 0 0 0 1155 1.848 57.635 0.730 1 T 1.649e+06 0.00e+00 a 0 0 0 0 0 1156 8.794 52.794 0.732 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 1157 6.111 52.958 0.742 1 T 1.641e+06 0.00e+00 a 0 0 0 0 0 1158 7.239 52.618 0.737 1 T 1.196e+06 0.00e+00 a 0 0 0 0 0 1159 7.151 40.188 0.734 1 T 1.605e+06 0.00e+00 a 0 0 0 0 0 1160 3.276 38.320 0.739 1 T 1.453e+06 0.00e+00 a 0 0 0 0 0 1161 1.893 36.227 0.734 1 T 7.450e+06 0.00e+00 a 0 0 0 0 0 1162 1.270 35.465 0.741 1 T 2.233e+06 0.00e+00 a 0 0 0 0 0 1163 4.474 33.016 0.734 1 T 1.097e+06 0.00e+00 a 0 0 0 0 0 1164 4.429 32.842 0.735 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 1165 3.001 32.281 0.735 1 T 1.813e+06 0.00e+00 a 0 0 0 0 0 1166 1.477 31.049 0.730 1 T 9.164e+06 0.00e+00 a 0 0 0 0 0 1167 -0.634 19.757 0.734 1 T 3.478e+06 0.00e+00 a 0 0 0 0 0 1168 3.514 70.614 0.709 1 T 2.073e+06 0.00e+00 a 0 0 0 0 0 1169 4.689 58.239 0.711 1 T 6.845e+06 0.00e+00 a 0 0 0 0 0 1170 5.880 57.253 0.727 1 T 2.121e+06 0.00e+00 a 0 0 0 0 0 1171 5.055 48.691 0.706 1 T 2.904e+06 0.00e+00 a 0 0 0 0 0 1172 7.120 42.677 0.714 1 T 1.172e+06 0.00e+00 a 0 0 0 0 0 1173 7.188 40.020 0.714 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 1174 6.375 35.753 0.721 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0 1175 2.838 63.683 0.687 1 T 2.802e+06 0.00e+00 a 0 0 0 0 0 1176 5.476 56.261 0.687 1 T 3.501e+06 0.00e+00 a 0 0 0 0 0 1177 6.659 49.443 0.681 1 T 1.976e+06 0.00e+00 a 0 0 0 0 0 1178 3.517 45.481 0.691 1 T 1.642e+06 0.00e+00 a 0 0 0 0 0 1179 7.397 43.433 0.692 1 T 1.562e+06 0.00e+00 a 0 0 0 0 0 1180 7.243 37.786 0.696 1 T 9.026e+05 0.00e+00 a 0 0 0 0 0 1181 3.434 32.996 0.686 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0 1182 3.364 68.559 0.668 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 1183 1.499 60.187 0.677 1 T 1.618e+06 0.00e+00 a 0 0 0 0 0 1184 1.118 57.748 0.677 1 T 8.819e+05 0.00e+00 a 0 0 0 0 0 1185 2.088 54.397 0.672 1 T 1.728e+06 0.00e+00 a 0 0 0 0 0 1186 4.435 36.812 0.672 1 T 9.768e+05 0.00e+00 a 0 0 0 0 0 1187 3.208 31.214 0.674 1 T 1.568e+06 0.00e+00 a 0 0 0 0 0 1188 6.227 47.030 0.654 1 T 1.649e+06 0.00e+00 a 0 0 0 0 0 1189 6.346 48.737 0.629 1 T 1.392e+06 0.00e+00 a 0 0 0 0 0 1190 7.059 42.486 0.615 1 T 1.238e+06 0.00e+00 a 0 0 0 0 0 1191 4.573 33.271 0.613 1 T 1.066e+06 0.00e+00 a 0 0 0 0 0 1192 -0.765 13.712 0.608 1 T 3.428e+06 0.00e+00 a 0 0 0 0 0 1193 3.290 60.366 0.561 1 T 2.943e+06 0.00e+00 a 0 0 0 0 0 1194 6.512 51.775 0.558 1 T 1.692e+06 0.00e+00 a 0 0 0 0 0 1195 6.382 39.578 0.547 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0 1196 -0.203 15.989 0.538 1 T 3.344e+06 0.00e+00 a 0 0 0 0 0 1197 7.036 42.317 0.524 1 T 1.184e+06 0.00e+00 a 0 0 0 0 0 1198 3.443 40.161 0.517 1 T 9.194e+05 0.00e+00 a 0 0 0 0 0 1199 -0.236 13.245 0.514 1 T 2.988e+06 0.00e+00 a 0 0 0 0 0 1200 4.177 69.923 0.502 1 T 1.994e+06 0.00e+00 a 0 0 0 0 0 1201 3.578 67.274 0.489 1 T 2.305e+06 0.00e+00 a 0 0 0 0 0 1202 1.003 61.124 0.458 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 1203 2.597 57.170 0.474 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 1204 1.741 56.543 0.481 1 T 1.418e+06 0.00e+00 a 0 0 0 0 0 1205 7.675 56.298 0.477 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 1206 1.716 56.490 0.468 1 T 1.380e+06 0.00e+00 a 0 0 0 0 0 1207 6.589 53.809 0.470 1 T 1.262e+06 0.00e+00 a 0 0 0 0 0 1208 7.009 42.274 0.478 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 1209 6.183 35.480 0.480 1 T 9.645e+05 0.00e+00 a 0 0 0 0 0 1210 2.518 58.616 0.427 1 T 1.089e+06 0.00e+00 a 0 0 0 0 0 1211 6.389 39.387 0.432 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 1212 3.064 35.504 0.410 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 1213 0.064 30.292 0.424 1 T 1.230e+06 0.00e+00 a 0 0 0 0 0 1214 0.780 7.689 0.414 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 1215 1.708 63.017 0.398 1 T 9.777e+05 0.00e+00 a 0 0 0 0 0 1216 2.076 20.121 0.404 1 T 9.337e+05 0.00e+00 a 0 0 0 0 0 1217 3.381 43.405 0.359 1 T 1.377e+06 0.00e+00 a 0 0 0 0 0 1218 4.726 31.107 0.377 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 1219 -0.298 31.300 0.364 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 1220 2.507 58.723 0.355 1 T 1.043e+06 0.00e+00 a 0 0 0 0 0 1221 5.852 52.636 0.357 1 T 9.711e+05 0.00e+00 a 0 0 0 0 0 1222 2.959 48.522 0.341 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 1223 -0.804 25.079 0.336 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 1224 1.380 63.077 0.330 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 1225 6.404 53.516 0.331 1 T 1.270e+06 0.00e+00 a 0 0 0 0 0 1226 2.109 49.156 0.316 1 T 9.382e+05 0.00e+00 a 0 0 0 0 0 1227 4.512 40.624 0.332 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 1228 0.939 38.194 0.329 1 T 1.404e+06 0.00e+00 a 0 0 0 0 0 1229 0.909 57.336 0.183 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 1230 9.123 7.883 0.173 1 T 9.155e+05 0.00e+00 a 0 0 0 0 0 1231 4.014 42.109 0.147 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0 1232 6.248 49.391 0.119 1 T 9.895e+05 0.00e+00 a 0 0 0 0 0 1233 1.301 46.149 0.007 1 T 9.976e+05 0.00e+00 a 0 0 0 0 0 1234 0.934 59.129 -0.055 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 1235 0.500 39.753 -0.059 1 T 8.988e+05 0.00e+00 a 0 0 0 0 0 1236 3.196 52.151 -0.071 1 T 9.162e+05 0.00e+00 a 0 0 0 0 0 1237 0.860 33.337 -0.101 1 T 9.832e+05 0.00e+00 a 0 0 0 0 0 1238 1.566 18.254 -0.100 1 T 9.604e+05 0.00e+00 a 0 0 0 0 0 1239 4.882 39.691 -0.141 1 T 8.288e+05 0.00e+00 a 0 0 0 0 0 1240 0.773 45.613 -0.184 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0 1241 1.647 17.995 -0.161 1 T 8.888e+05 0.00e+00 a 0 0 0 0 0 1242 1.397 31.174 -0.199 1 T 2.329e+06 0.00e+00 a 0 0 0 0 0 1243 1.889 34.994 -0.232 1 T 1.508e+06 0.00e+00 a 0 0 0 0 0 1244 5.538 51.537 -0.255 1 T 8.689e+05 0.00e+00 a 0 0 0 0 0 1245 3.815 52.129 -0.281 1 T 9.519e+05 0.00e+00 a 0 0 0 0 0 1246 6.976 39.867 -0.268 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 1247 1.379 36.461 -0.262 1 T 9.516e+05 0.00e+00 a 0 0 0 0 0 1248 5.285 55.013 -0.293 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0 1249 6.596 51.576 -0.300 1 T 1.178e+06 0.00e+00 a 0 0 0 0 0 1250 4.777 54.694 -0.494 1 T 1.040e+06 0.00e+00 a 0 0 0 0 0 1251 1.927 32.092 -0.541 1 T 1.293e+06 0.00e+00 a 0 0 0 0 0 1252 5.522 55.959 -0.562 1 T 9.130e+05 0.00e+00 a 0 0 0 0 0 1253 7.215 52.807 -0.578 1 T 9.833e+05 0.00e+00 a 0 0 0 0 0 1254 1.947 38.055 -0.612 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 1255 3.176 66.151 -0.641 1 T 9.164e+05 0.00e+00 a 0 0 0 0 0 1256 1.132 19.880 -0.661 1 T 1.358e+06 0.00e+00 a 0 0 0 0 0 1257 3.940 63.105 -0.695 1 T 9.142e+05 0.00e+00 a 0 0 0 0 0 1258 4.513 60.625 -0.695 1 T 1.190e+06 0.00e+00 a 0 0 0 0 0 1259 0.512 16.276 -0.680 1 T 9.115e+05 0.00e+00 a 0 0 0 0 0 1260 3.973 63.038 -0.710 1 T 9.572e+05 0.00e+00 a 0 0 0 0 0 1261 4.520 60.586 -0.728 1 T 1.126e+06 0.00e+00 a 0 0 0 0 0 1262 5.101 51.981 -0.727 1 T 1.290e+06 0.00e+00 a 0 0 0 0 0 1263 2.475 35.272 -0.735 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 1264 1.197 22.220 -0.730 1 T 1.513e+06 0.00e+00 a 0 0 0 0 0 1265 3.296 60.209 -0.753 1 T 1.251e+06 0.00e+00 a 0 0 0 0 0 1266 0.407 26.721 -0.768 1 T 1.655e+06 0.00e+00 a 0 0 0 0 0 1267 0.898 18.325 -0.757 1 T 1.569e+06 0.00e+00 a 0 0 0 0 0 1268 0.283 18.273 -0.775 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0 1269 6.473 45.705 -0.786 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 1270 5.239 7.814 -0.792 1 T 1.102e+06 0.00e+00 a 0 0 0 0 0 1271 4.086 55.060 -0.845 1 T 9.667e+05 0.00e+00 a 0 0 0 0 0 1272 2.888 40.819 -0.871 1 T 2.155e+06 0.00e+00 a 0 0 0 0 0 1273 1.052 18.516 -0.865 1 T 1.684e+06 0.00e+00 a 0 0 0 0 0 1274 5.926 15.554 -0.852 1 T 1.038e+06 0.00e+00 a 0 0 0 0 0 1275 4.139 54.742 -0.876 1 T 9.687e+05 0.00e+00 a 0 0 0 0 0 1276 1.313 19.771 -0.892 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 1277 8.395 6.900 -0.935 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0 1278 4.756 48.640 -0.950 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 1279 1.304 42.851 -0.968 1 T 8.786e+05 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 . aliased 15 ppm . . . 4.76 . . 34347 1 stop_ save_