######################### # 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 34528 _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 5 _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 H #INAME 3 N #SPECTRUM N15NOESY HN H N 1 7.813 4.244 118.959 1 T 2.100e+06 0.00e+00 a 0 - - - 2 7.812 4.400 118.979 1 T 2.380e+06 0.00e+00 a 0 - - - 3 7.815 3.200 118.938 1 T 5.350e+06 0.00e+00 a 0 - - - 4 7.814 1.690 118.956 1 T 3.990e+06 0.00e+00 a 0 - - - 5 7.831 3.705 118.794 1 T 4.180e+06 0.00e+00 a 0 - - - 6 7.850 3.850 121.086 1 T 2.870e+06 0.00e+00 a 0 - - - 7 7.845 3.636 121.007 1 T 1.860e+06 0.00e+00 a 0 - - - 8 7.848 1.859 120.903 1 T 3.880e+06 0.00e+00 a 0 - - - 9 8.154 4.514 120.131 1 T 1.160e+07 0.00e+00 a 0 - - - 10 8.155 4.131 120.125 1 T 5.760e+06 0.00e+00 a 0 - - - 11 8.156 3.918 120.128 1 T 2.120e+06 0.00e+00 a 0 - - - 12 8.551 3.491 121.207 1 T 1.800e+06 0.00e+00 a 0 - - - 13 8.545 4.138 121.577 1 T 3.360e+06 0.00e+00 a 0 - - - 14 8.546 3.918 121.532 1 T 2.210e+06 0.00e+00 a 0 - - - 15 8.543 4.831 121.578 1 T 1.370e+06 0.00e+00 a 0 - - - 16 8.948 4.273 119.405 1 T 1.710e+06 0.00e+00 a 0 - - - 17 8.402 4.051 122.720 1 T 4.570e+06 0.00e+00 a 0 - - - 18 8.413 3.908 122.961 1 T 4.510e+06 0.00e+00 a 0 - - - 19 8.397 4.193 123.198 1 T 3.420e+06 0.00e+00 a 0 - - - 20 8.453 1.571 123.067 1 T 3.050e+06 0.00e+00 a 0 - - - 21 8.462 2.015 123.000 1 T 7.150e+06 0.00e+00 a 0 - - - 22 8.441 2.002 120.898 1 T 4.870e+06 0.00e+00 a 0 - - - 23 8.490 1.534 120.864 1 T 7.630e+06 0.00e+00 a 0 - - - 24 8.300 2.136 120.056 1 T 4.760e+06 0.00e+00 a 0 - - - 25 8.300 2.384 120.103 1 T 3.500e+06 0.00e+00 a 0 - - - 26 8.304 4.502 120.003 1 T 1.970e+06 0.00e+00 a 0 - - - 27 8.309 3.787 119.928 1 T 1.810e+06 0.00e+00 a 0 - - - 28 8.298 3.949 120.028 1 T 3.370e+06 0.00e+00 a 0 - - - 29 8.191 4.237 118.998 1 T 1.440e+06 0.00e+00 a 0 - - - 30 8.190 3.879 119.011 1 T 1.710e+06 0.00e+00 a 0 - - - 31 8.257 3.976 119.304 1 T 2.830e+06 0.00e+00 a 0 - - - 32 8.276 4.036 119.248 1 T 2.750e+06 0.00e+00 a 0 - - - 33 8.064 4.264 118.867 1 T 3.180e+06 0.00e+00 a 0 - - - 34 8.063 4.848 118.877 1 T 1.900e+06 0.00e+00 a 0 - - - 35 8.122 4.112 119.393 1 T 5.930e+06 0.00e+00 a 0 - - - 36 8.124 3.961 119.578 1 T 2.800e+06 0.00e+00 a 0 - - - 37 8.123 2.083 119.435 1 T 5.620e+06 0.00e+00 a 0 - - - 38 8.122 2.228 119.384 1 T 4.930e+06 0.00e+00 a 0 - - - 39 8.122 1.826 119.543 1 T 5.260e+06 0.00e+00 a 0 - - - 40 8.058 4.572 118.989 1 T 3.190e+06 0.00e+00 a 0 - - - 41 7.952 4.244 119.282 1 T 5.230e+06 0.00e+00 a 0 - - - 42 7.929 4.137 119.277 1 T 4.520e+06 0.00e+00 a 0 - - - 43 7.946 4.619 119.312 1 T 2.000e+06 0.00e+00 a 0 - - - 44 7.949 1.557 119.048 1 T 9.290e+06 0.00e+00 a 0 - - - 45 7.989 4.337 119.034 1 T 2.450e+06 0.00e+00 a 0 - - - 46 8.094 4.519 119.815 1 T 4.530e+06 0.00e+00 a 0 - - - 47 8.094 4.850 119.754 1 T 2.320e+06 0.00e+00 a 0 - - - 48 8.461 4.294 118.723 1 T 5.370e+06 0.00e+00 a 0 - - - 49 8.460 4.021 118.729 1 T 4.020e+06 0.00e+00 a 0 - - - 50 7.211 4.230 115.353 1 T 2.900e+06 0.00e+00 a 0 - - - 51 7.211 3.969 115.382 1 T 1.510e+06 0.00e+00 a 0 - - - 52 7.208 3.852 115.382 1 T 1.300e+06 0.00e+00 a 0 - - - 53 7.158 3.965 115.415 1 T 1.290e+06 0.00e+00 a 0 - - - 54 7.156 4.129 115.338 1 T 1.400e+06 0.00e+00 a 0 - - - 55 7.155 4.282 115.415 1 T 1.020e+06 0.00e+00 a 0 - - - 56 6.794 7.589 110.444 1 T 2.960e+07 0.00e+00 a 0 - - - 57 7.592 6.792 110.438 1 T 2.840e+07 0.00e+00 a 0 - - - 58 6.974 7.550 111.413 1 T 2.700e+07 0.00e+00 a 0 - - - 59 6.974 4.851 111.472 1 T 4.960e+06 0.00e+00 a 0 - - - 60 7.556 4.850 111.555 1 T 3.790e+06 0.00e+00 a 0 - - - 61 7.592 2.344 110.415 1 T 4.600e+06 0.00e+00 a 0 - - - 62 6.794 2.343 110.482 1 T 2.970e+06 0.00e+00 a 0 - - - 63 7.593 2.096 110.382 1 T 1.490e+06 0.00e+00 a 0 - - - 64 7.539 0.831 110.263 1 T 1.650e+06 0.00e+00 a 0 - - - 65 6.446 0.840 110.296 1 T 1.400e+06 0.00e+00 a 0 - - - 66 7.540 2.931 110.216 1 T 1.590e+06 0.00e+00 a 0 - - - 67 6.444 2.927 110.328 1 T 1.410e+06 0.00e+00 a 0 - - - 68 6.672 2.661 110.920 1 T 1.470e+06 0.00e+00 a 0 - - - 69 6.675 2.337 110.865 1 T 1.980e+06 0.00e+00 a 0 - - - 70 7.345 2.197 111.161 1 T 3.400e+06 0.00e+00 a 0 - - - 71 6.792 2.192 111.119 1 T 3.400e+06 0.00e+00 a 0 - - - 72 7.287 2.497 111.208 1 T 2.430e+06 0.00e+00 a 0 - - - 73 6.823 2.496 111.269 1 T 2.000e+06 0.00e+00 a 0 - - - 74 7.287 2.302 111.171 1 T 2.550e+06 0.00e+00 a 0 - - - 75 7.258 2.682 112.558 1 T 1.690e+06 0.00e+00 a 0 - - - 76 7.260 3.112 112.478 1 T 1.110e+06 0.00e+00 a 0 - - - 77 7.250 2.839 112.558 1 T 1.630e+06 0.00e+00 a 0 - - - 78 7.260 1.318 112.540 1 T 7.590e+05 0.00e+00 a 0 - - - 79 7.408 4.851 112.013 1 T 2.050e+06 0.00e+00 a 0 - - - 80 7.407 2.266 112.042 1 T 3.090e+06 0.00e+00 a 0 - - - 81 6.719 2.262 112.042 1 T 2.090e+06 0.00e+00 a 0 - - - 82 6.720 2.069 112.031 1 T 6.950e+05 0.00e+00 a 0 - - - 83 7.827 4.845 113.530 1 T 1.580e+06 0.00e+00 a 0 - - - 84 7.127 4.853 113.486 1 T 2.050e+06 0.00e+00 a 0 - - - 85 7.129 2.916 113.694 1 T 8.060e+05 0.00e+00 a 0 - - - 86 7.132 3.103 113.689 1 T 5.710e+05 0.00e+00 a 0 - - - 87 7.543 2.413 112.829 1 T 1.530e+06 0.00e+00 a 0 - - - 88 6.897 2.425 112.898 1 T 1.300e+06 0.00e+00 a 0 - - - 89 7.529 2.906 113.095 1 T 9.890e+05 0.00e+00 a 0 - - - 90 7.039 2.528 114.111 1 T 2.610e+06 0.00e+00 a 0 - - - 91 7.582 2.218 114.106 1 T 1.570e+06 0.00e+00 a 0 - - - 92 7.038 2.207 114.097 1 T 1.050e+06 0.00e+00 a 0 - - - 93 7.608 2.462 112.262 1 T 3.560e+06 0.00e+00 a 0 - - - 94 7.559 2.494 111.978 1 T 4.750e+06 0.00e+00 a 0 - - - 95 6.967 3.103 111.823 1 T 2.030e+06 0.00e+00 a 0 - - - 96 6.966 2.884 111.811 1 T 2.410e+06 0.00e+00 a 0 - - - 97 6.973 2.489 111.470 1 T 1.080e+06 0.00e+00 a 0 - - - 98 7.681 2.212 111.674 1 T 1.290e+06 0.00e+00 a 0 - - - 99 6.975 3.267 111.458 1 T 7.810e+05 0.00e+00 a 0 - - - 100 6.974 2.688 111.407 1 T 8.070e+05 0.00e+00 a 0 - - - 101 6.907 2.938 111.698 1 T 1.610e+06 0.00e+00 a 0 - - - 102 6.908 2.856 111.740 1 T 1.670e+06 0.00e+00 a 0 - - - 103 7.705 2.949 111.696 1 T 1.900e+06 0.00e+00 a 0 - - - 104 7.928 2.077 122.131 1 T 3.420e+06 0.00e+00 a 0 - - - 105 7.928 4.071 122.170 1 T 2.260e+06 0.00e+00 a 0 - - - 106 7.928 4.847 122.153 1 T 1.440e+06 0.00e+00 a 0 - - - 107 6.909 7.696 111.732 1 T 1.420e+07 0.00e+00 a 0 - - - 108 6.915 4.852 111.726 1 T 3.480e+06 0.00e+00 a 0 - - - 109 6.911 4.476 111.674 1 T 5.070e+05 0.00e+00 a 0 - - - 110 6.908 4.577 111.559 1 T 4.590e+05 0.00e+00 a 0 - - - 111 6.907 4.280 111.612 1 T 5.590e+05 0.00e+00 a 0 - - - 112 7.704 4.851 111.711 1 T 3.300e+06 0.00e+00 a 0 - - - 113 7.704 4.592 111.707 1 T 1.010e+06 0.00e+00 a 0 - - - 114 7.703 4.460 111.733 1 T 1.120e+06 0.00e+00 a 0 - - - 115 7.679 2.476 111.689 1 T 2.910e+06 0.00e+00 a 0 - - - 116 7.704 2.071 111.725 1 T 8.400e+05 0.00e+00 a 0 - - - 117 7.674 2.078 111.674 1 T 8.590e+05 0.00e+00 a 0 - - - 118 7.702 1.245 111.937 1 T 1.050e+06 0.00e+00 a 0 - - - 119 7.671 1.248 111.802 1 T 2.330e+06 0.00e+00 a 0 - - - 120 7.707 1.056 111.862 1 T 4.870e+05 0.00e+00 a 0 - - - 121 7.760 8.154 118.172 1 T 2.950e+06 0.00e+00 a 0 - - - 122 7.763 4.855 118.114 1 T 8.370e+05 0.00e+00 a 0 - - - 123 7.758 4.566 118.085 1 T 5.560e+05 0.00e+00 a 0 - - - 124 7.760 4.071 118.196 1 T 2.640e+06 0.00e+00 a 0 - - - 125 7.760 3.985 118.172 1 T 3.320e+06 0.00e+00 a 0 - - - 126 7.758 3.002 118.080 1 T 4.410e+05 0.00e+00 a 0 - - - 127 7.759 1.888 118.177 1 T 7.600e+06 0.00e+00 a 0 - - - 128 7.760 1.761 118.179 1 T 3.930e+06 0.00e+00 a 0 - - - 129 7.760 1.502 118.206 1 T 1.870e+06 0.00e+00 a 0 - - - 130 7.765 0.756 118.167 1 T 6.260e+05 0.00e+00 a 0 - - - 131 7.761 0.983 118.172 1 T 1.270e+06 0.00e+00 a 0 - - - 132 7.755 -0.509 118.007 1 T 3.900e+05 0.00e+00 a 0 - - - 133 7.994 0.757 120.304 1 T 1.320e+06 0.00e+00 a 0 - - - 134 8.151 2.226 120.064 1 T 3.950e+06 0.00e+00 a 0 - - - 135 8.138 3.594 119.877 1 T 1.640e+06 0.00e+00 a 0 - - - 136 8.150 8.562 119.982 1 T 9.870e+05 0.00e+00 a 0 - - - 137 8.302 6.651 115.946 1 T 1.420e+06 0.00e+00 a 0 - - - 138 8.301 7.784 115.931 1 T 2.990e+06 0.00e+00 a 0 - - - 139 8.299 3.766 115.983 1 T 1.130e+06 0.00e+00 a 0 - - - 140 8.303 2.858 115.928 1 T 1.560e+06 0.00e+00 a 0 - - - 141 8.288 1.860 115.491 1 T 2.500e+06 0.00e+00 a 0 - - - 142 8.290 1.248 115.552 1 T 2.380e+06 0.00e+00 a 0 - - - 143 8.288 0.915 115.498 1 T 2.180e+06 0.00e+00 a 0 - - - 144 8.115 1.634 122.342 1 T 3.910e+06 0.00e+00 a 0 - - - 145 8.111 1.475 122.310 1 T 1.410e+06 0.00e+00 a 0 - - - 146 8.112 1.251 122.367 1 T 1.510e+06 0.00e+00 a 0 - - - 147 8.113 1.092 122.342 1 T 9.590e+05 0.00e+00 a 0 - - - 148 8.113 0.833 122.323 1 T 2.480e+06 0.00e+00 a 0 - - - 149 8.118 0.383 122.398 1 T 5.020e+05 0.00e+00 a 0 - - - 150 8.108 1.873 122.415 1 T 5.730e+05 0.00e+00 a 0 - - - 151 8.118 1.819 122.224 1 T 6.150e+05 0.00e+00 a 0 - - - 152 8.107 1.993 122.167 1 T 7.810e+05 0.00e+00 a 0 - - - 153 8.121 2.161 122.328 1 T 6.130e+05 0.00e+00 a 0 - - - 154 8.109 2.376 122.489 1 T 6.680e+05 0.00e+00 a 0 - - - 155 8.112 3.432 122.309 1 T 9.370e+05 0.00e+00 a 0 - - - 156 8.114 3.565 122.407 1 T 8.320e+05 0.00e+00 a 0 - - - 157 8.114 3.907 122.385 1 T 1.090e+06 0.00e+00 a 0 - - - 158 8.114 4.065 122.325 1 T 2.130e+06 0.00e+00 a 0 - - - 159 8.116 4.233 122.322 1 T 2.190e+06 0.00e+00 a 0 - - - 160 8.116 4.411 122.252 1 T 7.410e+05 0.00e+00 a 0 - - - 161 8.111 8.280 122.350 1 T 1.780e+06 0.00e+00 a 0 - - - 162 8.115 8.609 122.329 1 T 1.420e+06 0.00e+00 a 0 - - - 163 8.603 8.298 105.756 1 T 4.970e+05 0.00e+00 a 0 - - - 164 8.610 8.083 105.653 1 T 1.790e+06 0.00e+00 a 0 - - - 165 8.611 3.896 105.668 1 T 5.940e+05 0.00e+00 a 0 - - - 166 8.611 4.061 105.703 1 T 6.820e+05 0.00e+00 a 0 - - - 167 8.610 3.572 105.695 1 T 3.010e+06 0.00e+00 a 0 - - - 168 8.610 2.349 105.684 1 T 7.950e+05 0.00e+00 a 0 - - - 169 8.607 1.633 105.637 1 T 1.780e+06 0.00e+00 a 0 - - - 170 8.610 1.104 105.616 1 T 1.570e+06 0.00e+00 a 0 - - - 171 8.610 0.939 105.672 1 T 2.270e+06 0.00e+00 a 0 - - - 172 8.613 0.399 105.738 1 T 6.790e+05 0.00e+00 a 0 - - - 173 8.037 0.949 119.619 1 T 2.720e+06 0.00e+00 a 0 - - - 174 8.041 1.081 119.652 1 T 1.760e+06 0.00e+00 a 0 - - - 175 6.674 3.993 110.979 1 T 4.110e+05 0.00e+00 a 0 - - - 176 6.680 3.571 110.905 1 T 4.630e+05 0.00e+00 a 0 - - - 177 6.674 2.066 110.876 1 T 5.780e+05 0.00e+00 a 0 - - - 178 6.676 1.110 110.909 1 T 7.260e+05 0.00e+00 a 0 - - - 179 7.258 0.918 110.863 1 T 3.170e+06 0.00e+00 a 0 - - - 180 7.265 0.744 111.001 1 T 5.820e+05 0.00e+00 a 0 - - - 181 7.259 2.336 110.878 1 T 2.740e+06 0.00e+00 a 0 - 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- - 1586 8.030 4.836 125.027 1 T 4.700e+05 0.00e+00 a 0 - - - 1587 8.026 7.722 124.958 1 T 4.140e+05 0.00e+00 a 0 - - - 1588 8.586 7.982 123.028 1 T 6.540e+05 0.00e+00 a 0 - - - 1589 8.812 2.366 120.195 1 T 6.040e+05 0.00e+00 a 0 - - - 1590 8.189 8.677 118.988 1 T 1.560e+06 0.00e+00 a 0 - - - 1591 8.189 7.961 119.021 1 T 2.590e+06 0.00e+00 a 0 - - - 1592 8.684 8.431 120.644 1 T 8.380e+05 0.00e+00 a 0 - - - 1593 8.683 3.595 120.497 1 T 5.610e+05 0.00e+00 a 0 - - - 1594 8.682 1.560 120.499 1 T 1.330e+06 0.00e+00 a 0 - - - 1595 8.270 0.811 122.089 1 T 7.450e+05 0.00e+00 a 0 - - - 1596 8.272 3.944 122.132 1 T 1.650e+06 0.00e+00 a 0 - - - 1597 8.461 4.044 123.040 1 T 3.060e+06 0.00e+00 a 0 - - - 1598 8.473 2.880 122.747 1 T 3.180e+06 0.00e+00 a 0 - - - 1599 6.443 7.296 110.363 1 T 5.530e+05 0.00e+00 a 0 - - - 1600 8.135 1.444 105.619 1 T 7.550e+05 0.00e+00 a 0 - - - 1601 8.127 0.988 105.648 1 T 3.860e+05 0.00e+00 a 0 - - - 1602 7.977 7.252 119.381 1 T 7.670e+05 0.00e+00 a 0 - - - 1603 8.299 2.232 115.924 1 T 1.160e+06 0.00e+00 a 0 - - - 1604 7.353 2.712 120.438 1 T 5.360e+05 0.00e+00 a 0 - - - 1605 7.356 4.824 120.528 1 T 1.490e+06 0.00e+00 a 0 - - - 1606 7.810 2.873 113.212 1 T 2.430e+06 0.00e+00 a 0 - - - 1607 7.769 2.863 113.157 1 T 3.300e+06 0.00e+00 a 0 - - - 1608 8.236 7.134 119.539 1 T 6.170e+05 0.00e+00 a 0 - - - 1609 8.111 3.329 112.651 1 T 7.170e+05 0.00e+00 a 0 - - - 1610 8.072 -0.085 120.053 1 T 5.520e+05 0.00e+00 a 0 - - - 1611 8.063 1.293 119.994 1 T 1.360e+06 0.00e+00 a 0 - - - 1612 8.305 5.517 118.042 1 T 5.410e+05 0.00e+00 a 0 - - - 1613 8.401 3.714 122.767 1 T 8.220e+05 0.00e+00 a 0 - - - 1614 7.681 1.068 119.345 1 T 4.760e+05 0.00e+00 a 0 - - - 1615 7.978 3.407 114.384 1 T 4.910e+05 0.00e+00 a 0 - - - 1616 7.981 1.503 114.497 1 T 5.620e+05 0.00e+00 a 0 - - - 1617 7.981 -0.091 114.352 1 T 4.120e+05 0.00e+00 a 0 - - - 1618 6.775 7.993 121.369 1 T 5.480e+05 0.00e+00 a 0 - - - 1619 7.083 6.771 113.184 1 T 1.320e+06 0.00e+00 a 0 - - - 1620 7.548 4.252 112.712 1 T 6.940e+05 0.00e+00 a 0 - - - 1621 7.602 8.335 117.431 1 T 7.370e+05 0.00e+00 a 0 - - - 1622 7.600 4.118 117.363 1 T 4.570e+05 0.00e+00 a 0 - - - 1623 7.601 1.634 117.515 1 T 1.860e+06 0.00e+00 a 0 - - - 1624 7.615 1.910 117.474 1 T 9.590e+05 0.00e+00 a 0 - - - 1625 7.601 0.780 117.469 1 T 1.320e+06 0.00e+00 a 0 - - - 1626 8.534 6.936 113.567 1 T 1.350e+06 0.00e+00 a 0 - - - 1627 8.532 2.646 113.418 1 T 1.620e+06 0.00e+00 a 0 - - - 1628 8.534 1.959 113.539 1 T 6.980e+05 0.00e+00 a 0 - - - 1629 8.538 0.987 113.572 1 T 1.460e+06 0.00e+00 a 0 - - - 1630 8.526 0.703 113.416 1 T 1.530e+06 0.00e+00 a 0 - - - 1631 6.957 5.141 119.360 1 T 9.750e+05 0.00e+00 a 0 - - - 1632 8.580 3.892 118.005 1 T 2.030e+06 0.00e+00 a 0 - - - 1633 8.575 2.185 117.996 1 T 1.390e+06 0.00e+00 a 0 - - - 1634 8.579 1.123 118.010 1 T 7.840e+05 0.00e+00 a 0 - - - 1635 8.578 0.977 118.049 1 T 1.360e+06 0.00e+00 a 0 - - - 1636 8.416 8.591 123.032 1 T 2.560e+06 0.00e+00 a 0 - - - 1637 9.080 2.961 121.276 1 T 2.720e+06 0.00e+00 a 0 - - - 1638 9.077 2.731 121.466 1 T 7.340e+05 0.00e+00 a 0 - - - 1639 9.077 1.816 121.101 1 T 7.580e+05 0.00e+00 a 0 - - - 1640 9.087 0.776 121.182 1 T 7.340e+05 0.00e+00 a 0 - - - 1641 9.053 1.004 118.437 1 T 9.610e+05 0.00e+00 a 0 - - - 1642 8.691 8.140 119.173 1 T 5.200e+05 0.00e+00 a 0 - - - 1643 7.072 3.760 116.514 1 T 8.300e+05 0.00e+00 a 0 - - - 1644 7.063 3.295 116.882 1 T 6.090e+05 0.00e+00 a 0 - - - 1645 7.064 0.875 116.570 1 T 4.960e+05 0.00e+00 a 0 - - - 1646 8.346 1.109 119.457 1 T 1.000e+06 0.00e+00 a 0 - - - 1647 8.349 8.500 119.281 1 T 1.400e+06 0.00e+00 a 0 - - - 1648 8.523 8.037 113.399 1 T 5.650e+05 0.00e+00 a 0 - - - 1649 8.519 6.877 112.975 1 T 2.020e+06 0.00e+00 a 0 - - - 1650 8.519 4.069 113.085 1 T 8.280e+05 0.00e+00 a 0 - - - 1651 6.855 4.794 121.655 1 T 4.060e+05 0.00e+00 a 0 - - - 1652 7.317 2.133 118.194 1 T 7.910e+05 0.00e+00 a 0 - - - 1653 7.985 1.077 119.248 1 T 1.500e+06 0.00e+00 a 0 - - - 1654 6.822 2.965 111.324 1 T 5.470e+05 0.00e+00 a 0 - - - 1655 7.285 7.977 111.170 1 T 5.240e+05 0.00e+00 a 0 - - - 1656 8.641 2.473 117.330 1 T 1.210e+06 0.00e+00 a 0 - - - 1657 8.646 4.509 117.199 1 T 5.580e+05 0.00e+00 a 0 - - - 1658 8.643 7.402 117.290 1 T 9.220e+05 0.00e+00 a 0 - - - 1659 8.647 8.174 117.265 1 T 1.210e+06 0.00e+00 a 0 - - - 1660 7.398 1.817 113.521 1 T 5.660e+05 0.00e+00 a 0 - - - 1661 7.352 0.736 111.224 1 T 5.240e+05 0.00e+00 a 0 - - - 1662 7.512 1.908 115.355 1 T 8.100e+05 0.00e+00 a 0 - - - 1663 7.523 3.231 115.399 1 T 4.940e+05 0.00e+00 a 0 - - - 1664 7.856 7.514 120.134 1 T 1.600e+06 0.00e+00 a 0 - - - 1665 6.721 0.890 111.572 1 T 7.400e+05 0.00e+00 a 0 - - - 1666 6.720 1.896 112.094 1 T 4.430e+05 0.00e+00 a 0 - - - 1667 6.714 6.459 111.855 1 T 1.030e+06 0.00e+00 a 0 - - - 1668 7.404 0.901 111.909 1 T 6.090e+05 0.00e+00 a 0 - - - 1669 8.493 8.867 120.883 1 T 4.880e+05 0.00e+00 a 0 - - - 1670 7.928 7.064 119.076 1 T 5.020e+05 0.00e+00 a 0 - - - 1671 6.864 6.339 111.596 1 T 6.790e+05 0.00e+00 a 0 - - - 1672 7.679 3.852 111.735 1 T 5.670e+05 0.00e+00 a 0 - - - 1673 7.854 5.918 121.027 1 T 4.170e+05 0.00e+00 a 0 - - - 1674 7.849 6.895 121.198 1 T 4.880e+05 0.00e+00 a 0 - - - 1675 7.582 3.767 114.050 1 T 4.600e+05 0.00e+00 a 0 - - - 1676 7.583 4.126 114.036 1 T 3.650e+05 0.00e+00 a 0 - - - 1677 7.583 6.790 114.228 1 T 5.280e+05 0.00e+00 a 0 - - - 1678 7.584 6.893 114.009 1 T 1.230e+06 0.00e+00 a 0 - - - 1679 7.597 10.142 114.275 1 T 5.110e+05 0.00e+00 a 0 - - - 1680 7.672 8.612 119.778 1 T 4.060e+05 0.00e+00 a 0 - - - 1681 8.774 2.129 122.100 1 T 2.160e+06 0.00e+00 a 0 - - - 1682 8.248 9.330 121.521 1 T 6.300e+05 0.00e+00 a 0 - - - 1683 8.253 8.769 121.439 1 T 1.080e+06 0.00e+00 a 0 - - - 1684 8.254 7.446 121.632 1 T 4.570e+05 0.00e+00 a 0 - - - 1685 8.242 4.769 121.412 1 T 6.080e+05 0.00e+00 a 0 - - - 1686 8.905 4.466 121.854 1 T 4.620e+05 0.00e+00 a 0 - - - 1687 8.896 9.299 121.964 1 T 5.700e+05 0.00e+00 a 0 - - - 1688 8.902 10.713 121.865 1 T 5.340e+05 0.00e+00 a 0 - - - 1689 8.166 7.324 120.372 1 T 5.630e+05 0.00e+00 a 0 - - - 1690 7.561 4.262 112.093 1 T 1.020e+06 0.00e+00 a 0 - - - 1691 7.555 6.708 112.054 1 T 9.980e+05 0.00e+00 a 0 - - - 1692 7.654 4.091 116.230 1 T 6.420e+05 0.00e+00 a 0 - - - 1693 7.646 1.511 116.495 1 T 5.120e+05 0.00e+00 a 0 - - - 1694 7.954 3.786 121.208 1 T 5.760e+05 0.00e+00 a 0 - - - 1695 7.949 3.459 121.414 1 T 3.910e+05 0.00e+00 a 0 - - - 1696 7.947 -0.066 121.492 1 T 4.730e+05 0.00e+00 a 0 - - - 1697 8.024 3.148 126.996 1 T 4.490e+05 0.00e+00 a 0 - - - 1698 8.365 4.215 116.736 1 T 4.960e+05 0.00e+00 a 0 - - - 1699 9.306 6.880 111.464 1 T 7.470e+05 0.00e+00 a 0 - - - 1700 6.886 9.303 111.323 1 T 7.580e+05 0.00e+00 a 0 - - - 1701 9.307 2.770 111.419 1 T 7.240e+05 0.00e+00 a 0 - - - 1702 9.307 4.022 111.422 1 T 4.590e+05 0.00e+00 a 0 - - - 1703 6.881 2.777 111.374 1 T 7.620e+05 0.00e+00 a 0 - - - 1704 6.879 4.011 111.418 1 T 5.680e+05 0.00e+00 a 0 - - - 1705 5.672 7.947 106.259 1 T 6.750e+05 0.00e+00 a 0 - - - 1706 9.305 4.867 111.539 1 T 4.810e+05 0.00e+00 a 0 - - - 1707 7.551 3.780 111.375 1 T 5.760e+05 0.00e+00 a 0 - - - 1708 7.552 3.169 111.485 1 T 5.540e+05 0.00e+00 a 0 - - - 1709 7.554 3.370 111.338 1 T 4.850e+05 0.00e+00 a 0 - - - 1710 7.549 1.948 111.507 1 T 4.910e+05 0.00e+00 a 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 . . 18.023 ppm . . . 4.855 . . 34528 1 2 . . H 1 H . . 11.992 ppm . . . 4.855 . . 34528 1 3 . . N 15 N . . 29.502 ppm . . . 117.65 . . 34528 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 34528 _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 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _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 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 4.566 1.704 55.543 1 T 1.750e+06 0.00e+00 a 0 - - - 2 4.552 2.472 55.384 1 T 9.940e+05 0.00e+00 a 0 - - - 3 4.571 2.318 55.530 1 T 2.010e+06 0.00e+00 a 0 - - - 4 4.566 2.215 55.415 1 T 1.910e+06 0.00e+00 a 0 - - - 5 4.553 2.023 55.545 1 T 2.930e+06 0.00e+00 a 0 - - - 6 4.567 2.752 55.442 1 T 1.410e+07 0.00e+00 a 0 - - - 7 4.564 3.265 55.521 1 T 3.870e+06 0.00e+00 a 0 - - - 8 4.549 3.470 55.489 1 T 2.400e+06 0.00e+00 a 0 - - - 9 4.559 3.979 55.471 1 T 1.420e+06 0.00e+00 a 0 - - - 10 4.568 4.264 55.457 1 T 1.630e+06 0.00e+00 a 0 - - - 11 2.834 1.065 37.897 1 T 1.310e+06 0.00e+00 a 0 - - - 12 2.835 1.726 37.875 1 T 1.040e+06 0.00e+00 a 0 - - - 13 2.837 2.044 37.863 1 T 2.040e+06 0.00e+00 a 0 - - - 14 2.834 2.949 37.881 1 T 1.430e+07 0.00e+00 a 0 - - - 15 2.833 4.570 37.857 1 T 4.430e+06 0.00e+00 a 0 - - - 16 2.955 2.055 37.919 1 T 1.810e+06 0.00e+00 a 0 - - - 17 2.956 1.862 37.980 1 T 6.810e+05 0.00e+00 a 0 - - - 18 2.960 2.337 37.828 1 T 9.550e+05 0.00e+00 a 0 - - - 19 2.957 2.842 37.896 1 T 1.350e+07 0.00e+00 a 0 - - - 20 2.963 1.044 37.914 1 T 1.000e+06 0.00e+00 a 0 - - - 21 2.955 4.571 37.849 1 T 4.400e+06 0.00e+00 a 0 - - - 22 4.094 1.256 58.150 1 T 3.280e+06 0.00e+00 a 0 - - - 23 4.073 2.251 58.199 1 T 1.350e+07 0.00e+00 a 0 - - - 24 1.739 0.981 41.793 1 T 6.830e+06 0.00e+00 a 0 - - - 25 1.736 4.089 41.786 1 T 3.870e+06 0.00e+00 a 0 - - - 26 1.749 3.957 41.855 1 T 1.400e+06 0.00e+00 a 0 - - - 27 0.989 1.340 25.350 1 T 4.550e+06 0.00e+00 a 0 - - - 28 0.984 1.496 25.376 1 T 1.250e+07 0.00e+00 a 0 - - - 29 0.975 1.772 25.419 1 T 3.160e+07 0.00e+00 a 0 - - - 30 0.971 2.060 25.432 1 T 1.160e+07 0.00e+00 a 0 - - - 31 0.971 2.248 25.418 1 T 6.690e+06 0.00e+00 a 0 - - - 32 0.975 2.744 25.427 1 T 1.630e+06 0.00e+00 a 0 - - - 33 0.982 3.191 25.402 1 T 2.240e+06 0.00e+00 a 0 - - - 34 0.978 2.983 25.402 1 T 1.350e+06 0.00e+00 a 0 - - - 35 0.984 3.679 25.377 1 T 2.600e+06 0.00e+00 a 0 - - - 36 0.984 3.457 25.368 1 T 3.090e+06 0.00e+00 a 0 - - - 37 0.970 4.101 25.424 1 T 1.040e+07 0.00e+00 a 0 - - - 38 0.982 4.205 25.374 1 T 5.870e+06 0.00e+00 a 0 - - - 39 0.984 4.400 25.425 1 T 3.440e+06 0.00e+00 a 0 - 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- - 1825 0.672 0.901 26.222 1 T 9.100e+06 0.00e+00 a 0 - - - 1826 0.672 1.673 26.271 1 T 4.820e+06 0.00e+00 a 0 - - - 1827 0.671 1.843 26.246 1 T 4.340e+06 0.00e+00 a 0 - - - 1828 0.673 2.080 26.263 1 T 3.350e+06 0.00e+00 a 0 - - - 1829 0.670 2.496 26.219 1 T 1.650e+06 0.00e+00 a 0 - - - 1830 0.671 3.238 26.212 1 T 1.760e+06 0.00e+00 a 0 - - - 1831 0.674 3.862 26.262 1 T 1.730e+06 0.00e+00 a 0 - - - 1832 0.655 3.993 26.272 1 T 5.670e+05 0.00e+00 a 0 - - - 1833 0.676 7.007 26.199 1 T 1.090e+06 0.00e+00 a 0 - - - 1834 4.349 1.860 58.538 1 T 1.720e+06 0.00e+00 a 0 - - - 1835 2.116 3.867 32.715 1 T 4.430e+06 0.00e+00 a 0 - - - 1836 2.131 4.308 32.646 1 T 4.250e+06 0.00e+00 a 0 - - - 1837 2.110 1.003 32.699 1 T 1.310e+07 0.00e+00 a 0 - - - 1838 1.091 1.671 22.194 1 T 7.140e+06 0.00e+00 a 0 - - - 1839 1.091 2.118 22.121 1 T 1.730e+07 0.00e+00 a 0 - - - 1840 1.092 1.833 22.215 1 T 3.080e+06 0.00e+00 a 0 - - - 1841 1.091 2.488 22.213 1 T 3.230e+06 0.00e+00 a 0 - - - 1842 1.090 3.853 22.124 1 T 1.310e+07 0.00e+00 a 0 - - - 1843 1.091 4.329 22.112 1 T 2.540e+06 0.00e+00 a 0 - - - 1844 1.001 2.651 21.229 1 T 3.400e+06 0.00e+00 a 0 - - - 1845 1.001 3.475 21.244 1 T 3.280e+06 0.00e+00 a 0 - - - 1846 0.950 5.097 21.461 1 T 5.870e+05 0.00e+00 a 0 - - - 1847 4.320 2.207 58.269 1 T 9.480e+06 0.00e+00 a 0 - - - 1848 4.315 1.002 58.263 1 T 1.820e+06 0.00e+00 a 0 - - - 1849 2.503 1.568 37.065 1 T 1.240e+06 0.00e+00 a 0 - - - 1850 2.479 4.297 37.002 1 T 2.360e+06 0.00e+00 a 0 - - - 1851 4.494 2.466 54.631 1 T 2.340e+06 0.00e+00 a 0 - - - 1852 4.494 2.134 54.552 1 T 2.980e+06 0.00e+00 a 0 - - - 1853 2.155 3.632 28.568 1 T 1.820e+06 0.00e+00 a 0 - - - 1854 2.220 3.635 28.508 1 T 1.860e+06 0.00e+00 a 0 - - - 1855 2.224 4.482 28.597 1 T 2.280e+06 0.00e+00 a 0 - - - 1856 2.157 4.481 28.494 1 T 2.880e+06 0.00e+00 a 0 - - - 1857 2.166 7.007 28.524 1 T 7.680e+05 0.00e+00 a 0 - - - 1858 2.163 7.365 28.421 1 T 8.220e+05 0.00e+00 a 0 - - - 1859 2.459 2.126 28.519 1 T 3.170e+06 0.00e+00 a 0 - - - 1860 2.467 0.900 28.549 1 T 9.710e+05 0.00e+00 a 0 - - - 1861 2.457 4.499 28.511 1 T 1.370e+06 0.00e+00 a 0 - - - 1862 2.244 0.903 33.523 1 T 3.620e+06 0.00e+00 a 0 - - - 1863 2.236 0.758 33.489 1 T 2.190e+06 0.00e+00 a 0 - - - 1864 2.259 2.051 33.688 1 T 1.330e+07 0.00e+00 a 0 - - - 1865 2.260 1.908 33.679 1 T 9.640e+06 0.00e+00 a 0 - - - 1866 2.259 4.264 33.667 1 T 5.760e+06 0.00e+00 a 0 - - - 1867 2.264 3.910 33.707 1 T 1.550e+06 0.00e+00 a 0 - - - 1868 4.176 3.190 56.364 1 T 2.740e+06 0.00e+00 a 0 - - - 1869 4.174 1.950 56.325 1 T 7.010e+06 0.00e+00 a 0 - - - 1870 4.179 1.516 56.026 1 T 1.130e+07 0.00e+00 a 0 - - - 1871 3.185 7.283 43.290 1 T 8.910e+05 0.00e+00 a 0 - - - 1872 3.185 6.946 43.308 1 T 2.050e+06 0.00e+00 a 0 - - - 1873 3.183 5.032 43.262 1 T 1.350e+06 0.00e+00 a 0 - - - 1874 1.564 3.186 27.306 1 T 9.260e+06 0.00e+00 a 0 - - - 1875 1.562 4.173 27.372 1 T 6.140e+06 0.00e+00 a 0 - - - 1876 4.718 3.898 53.233 1 T 3.130e+06 0.00e+00 a 0 - - - 1877 4.720 3.708 53.256 1 T 2.790e+06 0.00e+00 a 0 - - - 1878 4.718 2.544 53.247 1 T 2.630e+06 0.00e+00 a 0 - - - 1879 4.721 1.862 53.279 1 T 2.110e+06 0.00e+00 a 0 - - - 1880 4.720 1.672 53.286 1 T 1.570e+06 0.00e+00 a 0 - - - 1881 4.722 2.065 53.253 1 T 2.300e+06 0.00e+00 a 0 - - - 1882 4.709 0.889 53.282 1 T 7.190e+05 0.00e+00 a 0 - - - 1883 1.687 0.728 33.905 1 T 8.580e+05 0.00e+00 a 0 - - - 1884 1.686 0.888 33.988 1 T 1.750e+06 0.00e+00 a 0 - - - 1885 1.675 1.860 34.043 1 T 4.400e+06 0.00e+00 a 0 - - - 1886 1.679 2.093 33.980 1 T 2.180e+06 0.00e+00 a 0 - - - 1887 1.676 2.530 34.053 1 T 3.090e+06 0.00e+00 a 0 - - - 1888 1.675 4.724 33.997 1 T 1.280e+06 0.00e+00 a 0 - - - 1889 1.860 2.530 34.005 1 T 3.260e+06 0.00e+00 a 0 - - - 1890 1.868 3.686 34.088 1 T 8.450e+05 0.00e+00 a 0 - - - 1891 1.863 4.357 33.913 1 T 9.790e+05 0.00e+00 a 0 - - - 1892 1.860 4.722 34.017 1 T 1.460e+06 0.00e+00 a 0 - - - 1893 2.092 0.706 17.634 1 T 6.750e+06 0.00e+00 a 0 - - - 1894 2.092 0.909 17.618 1 T 1.430e+07 0.00e+00 a 0 - - - 1895 2.090 1.344 17.636 1 T 2.630e+06 0.00e+00 a 0 - - - 1896 2.094 1.683 17.628 1 T 6.780e+06 0.00e+00 a 0 - - - 1897 2.092 1.840 17.604 1 T 1.390e+07 0.00e+00 a 0 - - - 1898 2.093 2.525 17.645 1 T 1.550e+07 0.00e+00 a 0 - - - 1899 2.093 2.955 17.641 1 T 2.610e+06 0.00e+00 a 0 - - - 1900 2.092 3.239 17.633 1 T 3.380e+06 0.00e+00 a 0 - - - 1901 2.093 3.694 17.640 1 T 2.260e+06 0.00e+00 a 0 - - - 1902 2.092 3.897 17.607 1 T 3.740e+06 0.00e+00 a 0 - - - 1903 2.093 4.144 17.602 1 T 4.410e+06 0.00e+00 a 0 - - - 1904 2.095 4.313 17.506 1 T 2.670e+06 0.00e+00 a 0 - - - 1905 2.092 4.482 17.611 1 T 3.570e+06 0.00e+00 a 0 - - - 1906 2.055 4.761 17.356 1 T 5.930e+05 0.00e+00 a 0 - - - 1907 2.093 4.725 17.584 1 T 2.430e+06 0.00e+00 a 0 - - - 1908 2.092 7.371 17.641 1 T 2.740e+06 0.00e+00 a 0 - - - 1909 2.092 6.999 17.627 1 T 2.100e+06 0.00e+00 a 0 - - - 1910 2.092 6.666 17.547 1 T 7.420e+05 0.00e+00 a 0 - - - 1911 2.548 1.683 31.961 1 T 3.800e+06 0.00e+00 a 0 - - - 1912 2.536 1.852 31.927 1 T 4.830e+06 0.00e+00 a 0 - - - 1913 2.538 2.096 31.949 1 T 5.280e+06 0.00e+00 a 0 - - - 1914 2.552 3.706 31.965 1 T 1.450e+06 0.00e+00 a 0 - - - 1915 2.544 3.889 32.015 1 T 1.770e+06 0.00e+00 a 0 - - - 1916 2.540 4.149 31.911 1 T 9.520e+05 0.00e+00 a 0 - - - 1917 2.550 4.722 31.969 1 T 2.350e+06 0.00e+00 a 0 - - - 1918 2.553 0.905 31.940 1 T 2.990e+06 0.00e+00 a 0 - - - 1919 2.551 0.735 31.941 1 T 1.350e+06 0.00e+00 a 0 - - - 1920 4.515 3.720 62.854 1 T 1.240e+06 0.00e+00 a 0 - - - 1921 4.516 2.283 63.471 1 T 8.270e+06 0.00e+00 a 0 - - - 1922 4.515 1.984 63.303 1 T 9.900e+06 0.00e+00 a 0 - - - 1923 4.514 0.901 62.851 1 T 2.430e+06 0.00e+00 a 0 - - - 1924 1.963 4.497 31.902 1 T 7.660e+06 0.00e+00 a 0 - - - 1925 2.212 1.981 31.546 1 T 1.050e+07 0.00e+00 a 0 - - - 1926 2.211 3.707 31.648 1 T 1.610e+06 0.00e+00 a 0 - - - 1927 2.213 4.506 31.562 1 T 4.570e+06 0.00e+00 a 0 - - - 1928 3.704 2.540 50.696 1 T 1.760e+06 0.00e+00 a 0 - - - 1929 3.942 2.381 50.509 1 T 1.470e+06 0.00e+00 a 0 - - - 1930 4.125 2.481 61.583 1 T 1.010e+06 0.00e+00 a 0 - - - 1931 4.132 2.008 61.596 1 T 5.390e+06 0.00e+00 a 0 - - - 1932 4.131 0.898 61.598 1 T 1.160e+07 0.00e+00 a 0 - - - 1933 4.137 4.504 61.524 1 T 1.080e+06 0.00e+00 a 0 - - - 1934 2.006 0.902 33.276 1 T 1.820e+07 0.00e+00 a 0 - - - 1935 2.006 4.130 33.264 1 T 4.850e+06 0.00e+00 a 0 - - - 1936 2.013 7.356 33.236 1 T 7.390e+05 0.00e+00 a 0 - - - 1937 2.005 6.984 32.922 1 T 6.980e+05 0.00e+00 a 0 - - - 1938 0.906 1.851 21.384 1 T 4.390e+06 0.00e+00 a 0 - - - 1939 0.906 2.008 21.435 1 T 2.190e+07 0.00e+00 a 0 - - - 1940 0.905 2.500 21.390 1 T 4.370e+06 0.00e+00 a 0 - - - 1941 0.906 2.957 21.397 1 T 2.030e+06 0.00e+00 a 0 - - - 1942 0.905 3.240 21.433 1 T 1.870e+06 0.00e+00 a 0 - - - 1943 0.908 3.699 21.276 1 T 1.440e+06 0.00e+00 a 0 - - - 1944 0.906 3.894 21.407 1 T 3.490e+06 0.00e+00 a 0 - - - 1945 0.905 4.502 21.402 1 T 2.280e+06 0.00e+00 a 0 - - - 1946 0.906 4.802 21.425 1 T 9.150e+05 0.00e+00 a 0 - - - 1947 0.909 6.999 21.491 1 T 1.670e+06 0.00e+00 a 0 - - - 1948 0.909 7.366 21.515 1 T 2.480e+06 0.00e+00 a 0 - - - 1949 0.907 1.703 21.389 1 T 2.860e+06 0.00e+00 a 0 - - - 1950 0.887 0.655 20.950 1 T 3.270e+06 0.00e+00 a 0 - - - 1951 0.888 1.684 20.899 1 T 3.010e+06 0.00e+00 a 0 - - - 1952 0.889 1.858 20.885 1 T 4.560e+06 0.00e+00 a 0 - - - 1953 0.889 2.007 20.923 1 T 1.850e+07 0.00e+00 a 0 - - - 1954 0.888 2.233 20.906 1 T 6.370e+06 0.00e+00 a 0 - - - 1955 0.888 2.501 20.868 1 T 5.200e+06 0.00e+00 a 0 - - - 1956 0.890 2.964 20.908 1 T 1.900e+06 0.00e+00 a 0 - - - 1957 0.888 3.235 20.874 1 T 1.910e+06 0.00e+00 a 0 - - - 1958 0.892 3.701 20.836 1 T 1.310e+06 0.00e+00 a 0 - - - 1959 0.892 3.887 21.026 1 T 3.180e+06 0.00e+00 a 0 - - - 1960 4.865 3.947 56.731 1 T 1.750e+07 0.00e+00 a 0 - - - 1961 4.864 4.087 56.734 1 T 7.750e+06 0.00e+00 a 0 - - - 1962 4.865 2.085 56.685 1 T 2.930e+06 0.00e+00 a 0 - - - 1963 3.962 4.863 62.975 1 T 6.910e+06 0.00e+00 a 0 - - - 1964 3.962 4.085 62.954 1 T 2.560e+07 0.00e+00 a 0 - - - 1965 3.964 2.069 62.949 1 T 2.020e+06 0.00e+00 a 0 - - - 1966 4.519 3.866 63.336 1 T 1.650e+06 0.00e+00 a 0 - - - 1967 1.963 2.283 32.020 1 T 1.360e+07 0.00e+00 a 0 - - - 1968 2.295 3.851 32.081 1 T 2.400e+06 0.00e+00 a 0 - - - 1969 2.293 4.512 32.059 1 T 5.750e+06 0.00e+00 a 0 - - - 1970 3.807 4.308 50.886 1 T 9.490e+05 0.00e+00 a 0 - - - 1971 3.805 2.271 50.851 1 T 1.310e+06 0.00e+00 a 0 - - - 1972 3.795 4.509 50.834 1 T 9.710e+05 0.00e+00 a 0 - - - 1973 3.869 4.474 50.708 1 T 2.040e+06 0.00e+00 a 0 - - - 1974 4.164 7.348 61.520 1 T 9.540e+05 0.00e+00 a 0 - - - 1975 4.165 6.735 61.631 1 T 7.590e+05 0.00e+00 a 0 - - - 1976 0.741 1.140 13.078 1 T 1.030e+07 0.00e+00 a 0 - - - 1977 0.740 1.397 13.075 1 T 1.180e+07 0.00e+00 a 0 - - - 1978 0.740 1.850 13.096 1 T 7.300e+06 0.00e+00 a 0 - - - 1979 0.744 1.666 13.207 1 T 2.460e+06 0.00e+00 a 0 - - - 1980 0.740 2.252 13.074 1 T 1.580e+06 0.00e+00 a 0 - - - 1981 0.735 2.524 13.079 1 T 8.380e+05 0.00e+00 a 0 - - - 1982 0.741 2.955 13.177 1 T 1.140e+06 0.00e+00 a 0 - - - 1983 0.742 3.323 13.172 1 T 7.830e+05 0.00e+00 a 0 - - - 1984 0.739 3.679 13.136 1 T 1.560e+06 0.00e+00 a 0 - - - 1985 0.741 3.879 13.109 1 T 2.270e+06 0.00e+00 a 0 - - - 1986 0.740 4.167 13.092 1 T 4.110e+06 0.00e+00 a 0 - - - 1987 0.739 4.470 13.164 1 T 7.620e+05 0.00e+00 a 0 - - - 1988 0.738 6.963 13.019 1 T 1.130e+06 0.00e+00 a 0 - - - 1989 0.745 7.263 13.148 1 T 8.760e+05 0.00e+00 a 0 - - - 1990 1.141 1.395 27.465 1 T 1.310e+07 0.00e+00 a 0 - - - 1991 1.141 0.857 27.469 1 T 4.770e+06 0.00e+00 a 0 - - - 1992 1.141 0.745 27.432 1 T 5.600e+06 0.00e+00 a 0 - - - 1993 1.140 1.850 27.425 1 T 3.060e+06 0.00e+00 a 0 - - - 1994 1.131 1.992 27.430 1 T 1.330e+06 0.00e+00 a 0 - - - 1995 1.141 3.923 27.357 1 T 8.160e+05 0.00e+00 a 0 - - - 1996 1.135 3.765 27.650 1 T 6.350e+05 0.00e+00 a 0 - - - 1997 1.144 4.170 27.465 1 T 1.930e+06 0.00e+00 a 0 - - - 1998 1.393 1.141 27.468 1 T 1.360e+07 0.00e+00 a 0 - - - 1999 1.394 0.747 27.476 1 T 6.600e+06 0.00e+00 a 0 - - - 2000 1.395 0.852 27.442 1 T 5.330e+06 0.00e+00 a 0 - - - 2001 1.393 1.850 27.445 1 T 4.540e+06 0.00e+00 a 0 - - - 2002 1.392 1.987 27.484 1 T 1.950e+06 0.00e+00 a 0 - - - 2003 1.398 3.882 27.536 1 T 1.090e+06 0.00e+00 a 0 - - - 2004 1.389 4.171 27.452 1 T 2.250e+06 0.00e+00 a 0 - - - 2005 0.861 1.402 17.549 1 T 8.180e+06 0.00e+00 a 0 - - - 2006 0.862 1.121 17.684 1 T 1.170e+07 0.00e+00 a 0 - - - 2007 0.861 2.948 17.502 1 T 1.180e+06 0.00e+00 a 0 - - - 2008 0.863 3.642 17.706 1 T 2.110e+06 0.00e+00 a 0 - - - 2009 0.860 4.456 17.477 1 T 1.580e+06 0.00e+00 a 0 - - - 2010 0.859 6.976 17.586 1 T 1.040e+06 0.00e+00 a 0 - - - 2011 4.435 3.887 58.217 1 T 1.390e+07 0.00e+00 a 0 - - - 2012 4.436 1.436 58.158 1 T 1.690e+06 0.00e+00 a 0 - - - 2013 4.432 0.871 58.374 1 T 1.290e+06 0.00e+00 a 0 - - - 2014 3.876 1.444 63.489 1 T 1.710e+06 0.00e+00 a 0 - - - 2015 3.874 4.436 63.512 1 T 8.500e+06 0.00e+00 a 0 - - - 2016 3.897 4.436 63.516 1 T 8.570e+06 0.00e+00 a 0 - - - 2017 3.914 4.815 63.507 1 T 8.420e+06 0.00e+00 a 0 - - - 2018 3.902 7.373 63.436 1 T 9.580e+05 0.00e+00 a 0 - - - 2019 3.910 0.886 63.506 1 T 2.740e+06 0.00e+00 a 0 - - - 2020 3.899 -0.082 63.381 1 T 6.710e+05 0.00e+00 a 0 - - - 2021 4.262 6.957 56.112 1 T 7.860e+05 0.00e+00 a 0 - - - 2022 4.263 7.266 56.182 1 T 5.530e+05 0.00e+00 a 0 - - - 2023 2.049 6.959 29.093 1 T 8.580e+05 0.00e+00 a 0 - - - 2024 2.044 7.624 28.853 1 T 7.240e+05 0.00e+00 a 0 - - - 2025 1.908 2.247 29.017 1 T 1.000e+07 0.00e+00 a 0 - - - 2026 1.904 4.255 28.960 1 T 3.730e+06 0.00e+00 a 0 - - - 2027 1.826 1.546 28.902 1 T 7.710e+06 0.00e+00 a 0 - - - 2028 1.821 1.695 28.944 1 T 2.020e+07 0.00e+00 a 0 - - - 2029 2.255 -0.084 33.602 1 T 8.490e+05 0.00e+00 a 0 - - - 2030 2.251 7.275 33.648 1 T 6.320e+05 0.00e+00 a 0 - - - 2031 3.017 3.652 45.168 1 T 4.490e+06 0.00e+00 a 0 - - - 2032 3.646 3.015 45.136 1 T 6.200e+06 0.00e+00 a 0 - - - 2033 4.277 1.448 53.653 1 T 1.690e+07 0.00e+00 a 0 - - - 2034 1.442 0.730 18.675 1 T 1.560e+07 0.00e+00 a 0 - - - 2035 1.444 4.275 18.984 1 T 2.670e+07 0.00e+00 a 0 - - - 2036 1.443 3.881 18.913 1 T 3.550e+06 0.00e+00 a 0 - - - 2037 1.446 4.602 18.943 1 T 1.960e+06 0.00e+00 a 0 - - - 2038 1.451 7.273 18.871 1 T 5.990e+05 0.00e+00 a 0 - - - 2039 4.614 2.469 58.463 1 T 1.030e+06 0.00e+00 a 0 - - - 2040 4.620 1.446 58.368 1 T 1.420e+06 0.00e+00 a 0 - - - 2041 4.557 2.185 58.523 1 T 1.140e+06 0.00e+00 a 0 - - - 2042 4.612 4.164 58.446 1 T 5.410e+06 0.00e+00 a 0 - - - 2043 4.613 4.015 58.459 1 T 4.990e+06 0.00e+00 a 0 - - - 2044 4.015 2.212 63.742 1 T 1.770e+06 0.00e+00 a 0 - - - 2045 4.006 2.467 63.689 1 T 9.510e+05 0.00e+00 a 0 - - - 2046 4.013 4.162 63.703 1 T 1.310e+07 0.00e+00 a 0 - - - 2047 4.014 4.609 63.714 1 T 5.130e+06 0.00e+00 a 0 - - - 2048 4.167 2.206 63.553 1 T 1.820e+06 0.00e+00 a 0 - - - 2049 4.170 2.459 63.662 1 T 8.430e+05 0.00e+00 a 0 - - - 2050 4.161 1.445 63.626 1 T 7.920e+05 0.00e+00 a 0 - - - 2051 4.164 4.605 63.702 1 T 5.060e+06 0.00e+00 a 0 - - - 2052 4.163 4.019 63.692 1 T 1.300e+07 0.00e+00 a 0 - - - 2053 4.562 3.189 58.825 1 T 1.960e+06 0.00e+00 a 0 - - - 2054 4.559 7.030 58.802 1 T 2.280e+06 0.00e+00 a 0 - - - 2055 4.564 1.960 58.725 1 T 1.380e+06 0.00e+00 a 0 - - - 2056 4.560 1.590 58.808 1 T 1.340e+06 0.00e+00 a 0 - - - 2057 4.569 2.522 58.809 1 T 7.780e+05 0.00e+00 a 0 - - - 2058 3.221 4.543 28.660 1 T 7.510e+05 0.00e+00 a 0 - 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- - 2527 0.958 3.063 18.094 1 T 4.850e+06 0.00e+00 a 0 - - - 2528 0.950 4.788 17.910 1 T 5.670e+05 0.00e+00 a 0 - - - 2529 2.258 4.507 35.451 1 T 6.020e+05 0.00e+00 a 0 - - - 2530 1.375 6.687 29.074 1 T 7.950e+05 0.00e+00 a 0 - - - 2531 0.777 -0.077 23.935 1 T 9.140e+05 0.00e+00 a 0 - - - 2532 0.781 0.391 23.841 1 T 1.670e+06 0.00e+00 a 0 - - - 2533 0.775 0.549 23.843 1 T 7.950e+06 0.00e+00 a 0 - - - 2534 0.779 2.708 23.899 1 T 1.120e+06 0.00e+00 a 0 - - - 2535 4.517 6.953 60.472 1 T 7.050e+05 0.00e+00 a 0 - - - 2536 3.107 2.252 39.997 1 T 5.210e+05 0.00e+00 a 0 - - - 2537 3.661 5.050 59.670 1 T 6.440e+05 0.00e+00 a 0 - - - 2538 3.194 0.533 43.404 1 T 8.560e+05 0.00e+00 a 0 - - - 2539 1.292 0.546 26.987 1 T 1.280e+06 0.00e+00 a 0 - - - 2540 1.310 4.234 27.094 1 T 6.830e+05 0.00e+00 a 0 - - - 2541 1.678 3.677 27.271 1 T 2.800e+06 0.00e+00 a 0 - - - 2542 3.985 1.854 61.895 1 T 8.510e+05 0.00e+00 a 0 - - - 2543 2.693 6.688 37.581 1 T 5.380e+05 0.00e+00 a 0 - - - 2544 3.747 2.888 65.438 1 T 9.780e+05 0.00e+00 a 0 - - - 2545 3.741 -0.062 65.226 1 T 7.020e+05 0.00e+00 a 0 - - - 2546 3.741 6.672 65.275 1 T 1.580e+06 0.00e+00 a 0 - - - 2547 0.811 0.217 14.491 1 T 5.930e+05 0.00e+00 a 0 - - - 2548 0.799 2.061 14.496 1 T 4.410e+06 0.00e+00 a 0 - - - 2549 1.284 6.643 28.905 1 T 7.720e+05 0.00e+00 a 0 - - - 2550 3.882 -0.087 56.997 1 T 1.040e+06 0.00e+00 a 0 - - - 2551 4.169 0.538 61.574 1 T 6.900e+05 0.00e+00 a 0 - - - 2552 2.897 1.487 39.989 1 T 7.940e+05 0.00e+00 a 0 - - - 2553 3.413 0.579 39.857 1 T 6.200e+05 0.00e+00 a 0 - - - 2554 0.818 -0.079 41.855 1 T 8.160e+05 0.00e+00 a 0 - - - 2555 0.819 3.722 42.041 1 T 6.110e+05 0.00e+00 a 0 - - - 2556 1.107 1.471 41.769 1 T 7.800e+05 0.00e+00 a 0 - - - 2557 -0.087 7.315 25.870 1 T 5.080e+05 0.00e+00 a 0 - - - 2558 0.551 0.208 21.903 1 T 1.180e+06 0.00e+00 a 0 - - - 2559 0.548 1.291 21.847 1 T 2.450e+06 0.00e+00 a 0 - - - 2560 3.938 1.278 66.196 1 T 7.500e+06 0.00e+00 a 0 - - - 2561 3.939 4.201 66.173 1 T 4.340e+06 0.00e+00 a 0 - - - 2562 1.291 0.939 21.470 1 T 1.570e+06 0.00e+00 a 0 - - - 2563 1.323 2.842 19.281 1 T 7.300e+05 0.00e+00 a 0 - - - 2564 1.334 4.576 19.377 1 T 6.360e+05 0.00e+00 a 0 - - - 2565 4.265 2.950 57.682 1 T 8.650e+05 0.00e+00 a 0 - - - 2566 4.359 2.967 60.505 1 T 7.940e+05 0.00e+00 a 0 - - - 2567 1.653 3.016 38.120 1 T 7.020e+05 0.00e+00 a 0 - - - 2568 1.636 4.328 37.976 1 T 8.140e+05 0.00e+00 a 0 - - - 2569 0.801 0.971 13.516 1 T 1.470e+07 0.00e+00 a 0 - - - 2570 0.798 2.436 13.537 1 T 2.700e+06 0.00e+00 a 0 - - - 2571 0.981 3.597 18.527 1 T 7.980e+05 0.00e+00 a 0 - - - 2572 0.746 7.204 43.328 1 T 4.750e+05 0.00e+00 a 0 - - - 2573 3.477 0.781 37.568 1 T 6.390e+05 0.00e+00 a 0 - - - 2574 3.493 3.059 37.628 1 T 6.660e+05 0.00e+00 a 0 - - - 2575 3.897 2.643 61.059 1 T 6.730e+05 0.00e+00 a 0 - - - 2576 1.629 0.995 24.288 1 T 9.640e+05 0.00e+00 a 0 - - - 2577 1.634 1.888 24.465 1 T 7.040e+06 0.00e+00 a 0 - - - 2578 4.642 3.303 57.816 1 T 6.720e+05 0.00e+00 a 0 - - - 2579 2.734 0.804 40.429 1 T 7.510e+05 0.00e+00 a 0 - - - 2580 2.738 1.239 40.445 1 T 9.060e+05 0.00e+00 a 0 - - - 2581 2.723 1.549 40.464 1 T 8.220e+05 0.00e+00 a 0 - - - 2582 3.040 4.607 37.593 1 T 1.660e+06 0.00e+00 a 0 - - - 2583 3.371 1.524 43.267 1 T 9.270e+05 0.00e+00 a 0 - - - 2584 3.377 3.897 43.206 1 T 1.150e+06 0.00e+00 a 0 - - - 2585 3.368 4.626 42.907 1 T 8.040e+05 0.00e+00 a 0 - - - 2586 1.774 4.646 26.913 1 T 1.560e+06 0.00e+00 a 0 - - - 2587 0.777 7.245 25.761 1 T 3.450e+06 0.00e+00 a 0 - - - 2588 3.797 2.756 61.241 1 T 7.450e+05 0.00e+00 a 0 - - - 2589 3.670 3.326 62.443 1 T 6.170e+05 0.00e+00 a 0 - - - 2590 3.677 2.984 62.389 1 T 5.570e+05 0.00e+00 a 0 - - - 2591 2.005 4.852 31.895 1 T 6.900e+05 0.00e+00 a 0 - - - 2592 1.728 1.286 29.416 1 T 4.160e+06 0.00e+00 a 0 - - - 2593 3.774 3.195 57.886 1 T 8.200e+05 0.00e+00 a 0 - - - 2594 1.441 3.773 42.371 1 T 7.590e+05 0.00e+00 a 0 - - - 2595 1.224 4.306 26.929 1 T 7.360e+05 0.00e+00 a 0 - - - 2596 1.228 4.266 27.062 1 T 6.860e+05 0.00e+00 a 0 - - - 2597 3.238 1.865 61.582 1 T 9.420e+05 0.00e+00 a 0 - - - 2598 2.948 1.684 61.743 1 T 6.540e+05 0.00e+00 a 0 - - - 2599 2.950 7.365 61.611 1 T 4.540e+05 0.00e+00 a 0 - - - 2600 2.344 3.196 34.027 1 T 6.070e+05 0.00e+00 a 0 - - - 2601 2.110 4.108 32.693 1 T 2.970e+06 0.00e+00 a 0 - - - 2602 1.092 4.078 22.352 1 T 7.840e+06 0.00e+00 a 0 - - - 2603 4.180 1.698 56.011 1 T 1.410e+07 0.00e+00 a 0 - - - 2604 2.094 2.748 17.495 1 T 2.500e+06 0.00e+00 a 0 - - - 2605 2.542 1.355 31.941 1 T 7.370e+05 0.00e+00 a 0 - - - 2606 4.521 4.166 63.245 1 T 1.170e+06 0.00e+00 a 0 - - - 2607 4.129 2.228 61.569 1 T 1.570e+06 0.00e+00 a 0 - - - 2608 0.910 3.479 21.249 1 T 7.560e+05 0.00e+00 a 0 - - - 2609 4.863 2.346 56.650 1 T 1.050e+06 0.00e+00 a 0 - - - 2610 3.959 2.227 63.115 1 T 1.390e+06 0.00e+00 a 0 - - - 2611 3.800 0.867 50.974 1 T 7.860e+05 0.00e+00 a 0 - - - 2612 4.170 3.697 61.618 1 T 8.580e+05 0.00e+00 a 0 - - - 2613 0.742 -0.080 13.062 1 T 1.200e+06 0.00e+00 a 0 - - - 2614 1.147 2.229 27.427 1 T 7.230e+05 0.00e+00 a 0 - - - 2615 1.379 3.660 27.405 1 T 8.580e+05 0.00e+00 a 0 - - - 2616 1.400 4.470 27.368 1 T 6.820e+05 0.00e+00 a 0 - 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- - 2653 3.950 4.864 50.605 1 T 6.280e+06 0.00e+00 a 0 - - - 2654 3.946 4.457 50.728 1 T 2.240e+06 0.00e+00 a 0 - - - 2655 4.452 3.935 65.223 1 T 2.730e+06 0.00e+00 a 0 - - - 2656 4.453 2.954 65.209 1 T 2.820e+06 0.00e+00 a 0 - - - 2657 4.452 2.827 65.221 1 T 2.170e+06 0.00e+00 a 0 - - - 2658 4.453 2.374 65.204 1 T 7.900e+06 0.00e+00 a 0 - - - 2659 4.454 2.030 65.207 1 T 7.620e+06 0.00e+00 a 0 - - - 2660 3.674 7.536 62.603 1 T 7.790e+05 0.00e+00 a 0 - - - 2661 3.798 7.526 62.537 1 T 6.600e+05 0.00e+00 a 0 - - - 2662 2.671 0.990 39.907 1 T 9.240e+05 0.00e+00 a 0 - - - 2663 1.313 4.098 42.857 1 T 1.020e+06 0.00e+00 a 0 - - - 2664 2.947 -0.025 26.531 1 T 7.470e+05 0.00e+00 a 0 - - - 2665 2.414 3.914 27.534 1 T 1.040e+06 0.00e+00 a 0 - - - 2666 3.438 6.695 37.626 1 T 4.810e+05 0.00e+00 a 0 - - - 2667 3.447 7.179 37.545 1 T 6.690e+05 0.00e+00 a 0 - - - 2668 -0.087 7.585 20.974 1 T 7.350e+05 0.00e+00 a 0 - - - 2669 0.806 7.580 25.731 1 T 9.910e+05 0.00e+00 a 0 - - - 2670 3.179 7.899 43.309 1 T 5.740e+05 0.00e+00 a 0 - - - 2671 1.732 0.978 27.265 1 T 1.110e+07 0.00e+00 a 0 - - - 2672 1.610 3.734 29.134 1 T 1.260e+06 0.00e+00 a 0 - - - 2673 1.464 0.372 27.401 1 T 9.110e+05 0.00e+00 a 0 - - - 2674 1.455 4.085 27.376 1 T 1.450e+06 0.00e+00 a 0 - - - 2675 1.833 -0.085 25.894 1 T 9.960e+05 0.00e+00 a 0 - - - 2676 1.846 7.842 25.916 1 T 6.150e+05 0.00e+00 a 0 - - - 2677 2.888 0.818 41.461 1 T 3.910e+06 0.00e+00 a 0 - - - 2678 2.889 1.069 41.473 1 T 2.010e+06 0.00e+00 a 0 - - - 2679 2.888 1.277 41.465 1 T 4.180e+06 0.00e+00 a 0 - - - 2680 2.888 1.416 41.484 1 T 5.360e+06 0.00e+00 a 0 - - - 2681 2.890 1.701 41.504 1 T 1.620e+07 0.00e+00 a 0 - - - 2682 2.888 2.180 41.406 1 T 3.650e+06 0.00e+00 a 0 - - - 2683 2.892 3.243 41.533 1 T 3.900e+06 0.00e+00 a 0 - - - 2684 2.887 3.954 41.453 1 T 1.280e+06 0.00e+00 a 0 - - - 2685 2.889 4.613 41.399 1 T 2.910e+06 0.00e+00 a 0 - - - 2686 2.887 6.927 41.472 1 T 1.460e+06 0.00e+00 a 0 - - - 2687 1.081 1.637 41.570 1 T 7.240e+05 0.00e+00 a 0 - - - 2688 3.339 0.549 63.991 1 T 8.740e+05 0.00e+00 a 0 - - - 2689 3.333 3.428 63.929 1 T 2.550e+06 0.00e+00 a 0 - - - 2690 3.443 3.353 63.967 1 T 1.970e+06 0.00e+00 a 0 - - - 2691 3.328 4.127 63.830 1 T 1.560e+06 0.00e+00 a 0 - - - 2692 3.442 4.131 63.910 1 T 1.230e+06 0.00e+00 a 0 - - - 2693 3.447 1.484 63.923 1 T 7.770e+05 0.00e+00 a 0 - - - 2694 3.439 0.556 63.871 1 T 7.870e+05 0.00e+00 a 0 - - - 2695 3.077 2.148 41.728 1 T 1.060e+06 0.00e+00 a 0 - - - 2696 1.822 1.256 28.859 1 T 1.240e+06 0.00e+00 a 0 - - - 2697 1.829 4.217 28.873 1 T 2.540e+06 0.00e+00 a 0 - - - 2698 0.768 9.061 25.742 1 T 1.760e+06 0.00e+00 a 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 . . 18.023 ppm . . . 4.840 . . 34528 2 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 2 3 . . 13C 13 C-aliphatic . . 66.084 ppm . . . 43.8 . . 34528 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34528 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _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 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 7.880 3.170 138.071 1 T 8.320e+05 0.00e+00 a 0 - - - 2 7.883 3.139 138.120 1 T 8.460e+05 0.00e+00 a 0 - - - 3 7.884 1.862 138.117 1 T 9.080e+05 0.00e+00 a 0 - - - 4 7.883 1.514 138.192 1 T 6.440e+05 0.00e+00 a 0 - - - 5 7.878 0.288 138.280 1 T 7.000e+05 0.00e+00 a 0 - - - 6 7.824 2.910 138.629 1 T 9.500e+05 0.00e+00 a 0 - - - 7 7.822 2.072 138.663 1 T 1.070e+06 0.00e+00 a 0 - - - 8 7.827 2.215 138.591 1 T 8.590e+05 0.00e+00 a 0 - - - 9 7.820 1.682 138.674 1 T 1.030e+06 0.00e+00 a 0 - - - 10 7.823 1.462 138.706 1 T 6.890e+05 0.00e+00 a 0 - - - 11 7.824 0.818 138.638 1 T 1.420e+06 0.00e+00 a 0 - - - 12 7.652 0.271 137.925 1 T 1.240e+06 0.00e+00 a 0 - - - 13 7.642 0.426 137.894 1 T 7.510e+05 0.00e+00 a 0 - - - 14 7.650 1.951 137.857 1 T 2.750e+06 0.00e+00 a 0 - - - 15 7.282 6.943 133.977 1 T 4.730e+06 0.00e+00 a 0 - - - 16 7.286 5.031 133.970 1 T 2.400e+06 0.00e+00 a 0 - - - 17 7.286 3.311 134.027 1 T 1.630e+06 0.00e+00 a 0 - - - 18 7.285 3.667 133.941 1 T 1.100e+06 0.00e+00 a 0 - - - 19 7.280 3.572 134.044 1 T 8.910e+05 0.00e+00 a 0 - - - 20 7.284 2.674 133.898 1 T 1.530e+06 0.00e+00 a 0 - - - 21 7.284 2.224 134.262 1 T 7.030e+05 0.00e+00 a 0 - - - 22 7.284 1.650 133.956 1 T 5.840e+05 0.00e+00 a 0 - - - 23 7.284 1.324 134.148 1 T 8.790e+05 0.00e+00 a 0 - - - 24 7.283 0.809 134.095 1 T 1.260e+06 0.00e+00 a 0 - - - 25 7.283 0.531 134.113 1 T 8.190e+05 0.00e+00 a 0 - - - 26 7.340 0.553 131.900 1 T 7.030e+05 0.00e+00 a 0 - - - 27 7.335 6.972 131.830 1 T 1.380e+06 0.00e+00 a 0 - - - 28 7.350 1.058 131.928 1 T 5.120e+05 0.00e+00 a 0 - - - 29 7.218 4.545 131.188 1 T 7.250e+05 0.00e+00 a 0 - - - 30 7.250 4.539 131.000 1 T 8.980e+05 0.00e+00 a 0 - - - 31 7.234 3.451 131.178 1 T 9.030e+05 0.00e+00 a 0 - - - 32 7.258 3.429 131.231 1 T 7.580e+05 0.00e+00 a 0 - - - 33 7.241 3.298 131.060 1 T 8.770e+05 0.00e+00 a 0 - - - 34 7.205 3.304 131.259 1 T 6.760e+05 0.00e+00 a 0 - - - 35 7.226 2.142 131.163 1 T 7.680e+05 0.00e+00 a 0 - - - 36 7.250 1.573 131.171 1 T 7.190e+05 0.00e+00 a 0 - - - 37 7.228 1.568 131.197 1 T 7.930e+05 0.00e+00 a 0 - - - 38 7.228 1.091 131.137 1 T 2.600e+06 0.00e+00 a 0 - - - 39 7.231 0.892 131.215 1 T 2.200e+06 0.00e+00 a 0 - - - 40 7.227 0.797 131.229 1 T 2.180e+06 0.00e+00 a 0 - - - 41 7.237 0.563 131.317 1 T 1.280e+06 0.00e+00 a 0 - - - 42 7.227 0.385 131.175 1 T 9.260e+05 0.00e+00 a 0 - - - 43 7.175 2.210 131.272 1 T 7.720e+05 0.00e+00 a 0 - - - 44 7.208 4.282 131.164 1 T 5.450e+05 0.00e+00 a 0 - - - 45 7.175 1.006 131.525 1 T 1.090e+06 0.00e+00 a 0 - - - 46 7.181 -0.263 131.550 1 T 6.370e+05 0.00e+00 a 0 - - - 47 7.123 0.793 129.704 1 T 1.060e+06 0.00e+00 a 0 - - - 48 7.132 1.089 129.766 1 T 1.070e+06 0.00e+00 a 0 - - - 49 7.018 3.651 131.433 1 T 5.960e+05 0.00e+00 a 0 - - - 50 6.966 0.554 131.793 1 T 1.170e+06 0.00e+00 a 0 - - - 51 6.968 -0.276 131.719 1 T 9.660e+05 0.00e+00 a 0 - - - 52 6.973 -0.062 131.881 1 T 8.000e+05 0.00e+00 a 0 - - - 53 6.976 4.156 131.997 1 T 6.580e+05 0.00e+00 a 0 - - - 54 6.972 7.338 131.803 1 T 2.150e+06 0.00e+00 a 0 - - - 55 6.970 6.719 131.743 1 T 7.110e+05 0.00e+00 a 0 - - - 56 6.643 7.187 129.556 1 T 9.540e+05 0.00e+00 a 0 - - - 57 6.642 4.798 129.542 1 T 1.510e+06 0.00e+00 a 0 - - - 58 6.651 3.748 129.474 1 T 1.210e+06 0.00e+00 a 0 - - - 59 6.644 3.322 129.489 1 T 7.970e+05 0.00e+00 a 0 - - - 60 6.646 3.458 129.575 1 T 5.470e+05 0.00e+00 a 0 - - - 61 6.651 2.238 129.456 1 T 8.420e+05 0.00e+00 a 0 - - - 62 6.646 2.049 129.555 1 T 6.260e+05 0.00e+00 a 0 - - - 63 6.644 1.280 129.521 1 T 7.060e+05 0.00e+00 a 0 - - - 64 6.650 1.506 129.603 1 T 5.220e+05 0.00e+00 a 0 - - - 65 6.650 0.798 129.552 1 T 1.150e+06 0.00e+00 a 0 - - - 66 6.649 0.537 129.558 1 T 1.040e+06 0.00e+00 a 0 - - - 67 6.638 0.969 129.512 1 T 5.060e+05 0.00e+00 a 0 - - - 68 6.647 -0.028 129.512 1 T 6.420e+05 0.00e+00 a 0 - - - 69 6.640 -0.289 129.690 1 T 4.930e+05 0.00e+00 a 0 - - - 70 6.652 2.708 129.800 1 T 5.460e+05 0.00e+00 a 0 - - - 71 6.718 2.902 131.537 1 T 7.960e+05 0.00e+00 a 0 - - - 72 6.933 1.912 126.561 1 T 7.570e+05 0.00e+00 a 0 - - - 73 6.938 1.982 126.296 1 T 7.550e+05 0.00e+00 a 0 - - - 74 6.942 0.909 126.451 1 T 6.720e+05 0.00e+00 a 0 - - - 75 6.941 3.353 126.609 1 T 1.490e+06 0.00e+00 a 0 - - - 76 6.926 2.283 126.520 1 T 7.060e+05 0.00e+00 a 0 - - - 77 6.929 3.787 126.525 1 T 8.720e+05 0.00e+00 a 0 - - - 78 6.934 3.650 126.457 1 T 6.210e+05 0.00e+00 a 0 - - - 79 6.932 4.322 126.538 1 T 5.580e+05 0.00e+00 a 0 - - - 80 7.007 0.681 125.119 1 T 6.200e+05 0.00e+00 a 0 - - - 81 7.029 1.603 124.367 1 T 6.990e+05 0.00e+00 a 0 - - - 82 7.023 3.226 124.393 1 T 7.580e+05 0.00e+00 a 0 - - - 83 7.022 3.604 124.381 1 T 6.120e+05 0.00e+00 a 0 - - - 84 7.025 3.899 124.312 1 T 5.370e+05 0.00e+00 a 0 - - - 85 7.028 4.560 124.275 1 T 2.470e+06 0.00e+00 a 0 - - - 86 7.011 6.680 124.767 1 T 1.380e+06 0.00e+00 a 0 - - - 87 7.031 4.233 124.372 1 T 5.610e+05 0.00e+00 a 0 - - - 88 6.814 7.263 123.233 1 T 1.160e+06 0.00e+00 a 0 - - - 89 6.822 0.789 123.159 1 T 9.290e+05 0.00e+00 a 0 - - - 90 6.838 0.271 121.667 1 T 9.860e+05 0.00e+00 a 0 - - - 91 6.839 0.435 121.478 1 T 1.010e+06 0.00e+00 a 0 - - - 92 6.844 0.958 121.420 1 T 6.100e+05 0.00e+00 a 0 - - - 93 6.845 1.418 121.442 1 T 5.890e+05 0.00e+00 a 0 - - - 94 6.837 3.176 121.598 1 T 1.260e+06 0.00e+00 a 0 - - - 95 6.833 1.968 121.593 1 T 7.170e+05 0.00e+00 a 0 - - - 96 6.838 1.578 121.552 1 T 8.890e+05 0.00e+00 a 0 - - - 97 6.843 3.926 121.713 1 T 9.760e+05 0.00e+00 a 0 - - - 98 6.844 4.243 121.581 1 T 6.280e+05 0.00e+00 a 0 - - - 99 6.671 0.744 121.913 1 T 6.450e+05 0.00e+00 a 0 - - - 100 6.989 3.898 119.391 1 T 1.030e+06 0.00e+00 a 0 - - - 101 6.990 4.262 119.392 1 T 1.980e+06 0.00e+00 a 0 - - - 102 6.987 3.181 119.330 1 T 2.400e+06 0.00e+00 a 0 - - - 103 6.987 0.272 119.305 1 T 9.230e+05 0.00e+00 a 0 - - - 104 6.991 1.545 119.342 1 T 8.630e+05 0.00e+00 a 0 - - - 105 6.987 1.441 119.182 1 T 7.440e+05 0.00e+00 a 0 - - - 106 6.987 1.821 119.275 1 T 6.940e+05 0.00e+00 a 0 - - - 107 6.987 1.969 119.323 1 T 6.440e+05 0.00e+00 a 0 - - - 108 6.994 8.425 119.242 1 T 6.340e+05 0.00e+00 a 0 - - - 109 6.943 7.282 118.194 1 T 6.660e+06 0.00e+00 a 0 - - - 110 6.945 5.030 118.135 1 T 1.280e+06 0.00e+00 a 0 - - - 111 6.945 3.679 118.152 1 T 2.040e+06 0.00e+00 a 0 - - - 112 6.941 3.484 118.095 1 T 1.210e+06 0.00e+00 a 0 - - - 113 6.945 2.696 118.337 1 T 7.720e+05 0.00e+00 a 0 - - - 114 6.923 3.259 118.441 1 T 2.830e+06 0.00e+00 a 0 - - - 115 6.933 2.223 118.427 1 T 9.420e+05 0.00e+00 a 0 - - - 116 6.925 2.028 118.394 1 T 1.450e+06 0.00e+00 a 0 - - - 117 6.949 1.802 118.226 1 T 9.360e+05 0.00e+00 a 0 - - - 118 6.922 1.693 118.429 1 T 2.100e+06 0.00e+00 a 0 - - - 119 6.930 1.310 118.345 1 T 1.840e+06 0.00e+00 a 0 - - - 120 6.936 0.941 118.337 1 T 1.280e+06 0.00e+00 a 0 - - - 121 6.924 0.820 118.420 1 T 1.970e+06 0.00e+00 a 0 - - - 122 6.942 0.536 118.216 1 T 6.650e+05 0.00e+00 a 0 - - - 123 6.939 3.005 118.385 1 T 8.730e+05 0.00e+00 a 0 - - - 124 6.923 2.892 118.535 1 T 1.490e+06 0.00e+00 a 0 - - - 125 6.932 3.957 118.365 1 T 6.090e+05 0.00e+00 a 0 - - - 126 6.923 4.559 118.439 1 T 1.380e+06 0.00e+00 a 0 - - - 127 6.919 4.437 118.441 1 T 1.450e+06 0.00e+00 a 0 - - - 128 6.926 4.235 118.488 1 T 6.780e+05 0.00e+00 a 0 - - - 129 7.372 0.900 114.239 1 T 1.650e+06 0.00e+00 a 0 - - - 130 7.373 1.840 113.947 1 T 6.560e+05 0.00e+00 a 0 - - - 131 7.372 2.118 114.242 1 T 1.180e+06 0.00e+00 a 0 - - - 132 7.366 3.926 114.122 1 T 6.940e+05 0.00e+00 a 0 - - - 133 7.369 7.005 114.198 1 T 2.500e+06 0.00e+00 a 0 - - - 134 7.275 0.800 113.657 1 T 9.310e+05 0.00e+00 a 0 - - - 135 7.256 0.794 113.564 1 T 1.010e+06 0.00e+00 a 0 - - - 136 7.264 -0.090 113.577 1 T 7.570e+05 0.00e+00 a 0 - - - 137 7.259 1.840 113.589 1 T 5.020e+05 0.00e+00 a 0 - - - 138 7.259 6.811 113.514 1 T 1.260e+06 0.00e+00 a 0 - - - 139 7.271 1.362 113.313 1 T 4.720e+05 0.00e+00 a 0 - - - 140 7.828 3.280 138.742 1 T 4.270e+05 0.00e+00 a 0 - - - 141 7.823 4.081 138.632 1 T 5.030e+05 0.00e+00 a 0 - - - 142 7.820 4.459 138.736 1 T 4.550e+05 0.00e+00 a 0 - - - 143 7.015 4.414 131.359 1 T 5.940e+05 0.00e+00 a 0 - - - 144 6.981 3.164 131.138 1 T 1.070e+06 0.00e+00 a 0 - - - 145 7.003 7.388 132.041 1 T 8.870e+05 0.00e+00 a 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 . . 18.023 ppm . . . 4.840 . . 34528 3 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 3 3 . . C 13 C-aromatic . . 30.0 ppm . . . 127.0 . . 34528 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 34528 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D filt. 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 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 0.802 5.538 14.581 1 T 1.560e+06 0.00e+00 a 0 QD1.85 H28.86 CD1.85 2 0.805 5.049 14.611 1 T 1.140e+06 0.00e+00 a 0 QD1.85 H27.86 CD1.85 3 0.801 3.541 14.550 1 T 1.370e+06 0.00e+00 a 0 QD1.85 Q16.86 CD1.85 4 0.803 3.178 14.462 1 T 9.020e+05 0.00e+00 a 0 QD1.85 Q14.86 CD1.85 5 0.530 5.534 17.504 1 T 3.250e+06 0.00e+00 a 0 QG2.85 H28.86 CG2.85 6 0.531 5.042 17.523 1 T 2.820e+06 0.00e+00 a 0 QG2.85 H27.86 CG2.85 7 0.529 3.171 17.557 1 T 1.770e+06 0.00e+00 a 0 QG2.85 Q14.86 CG2.85 8 0.549 3.170 21.785 1 T 2.630e+06 0.00e+00 a 0 QD2.89 Q12.86 CD2.89 9 1.281 3.181 21.294 1 T 4.420e+06 0.00e+00 a 0 QG2.90 Q12.86 CG2.90 11 0.906 3.456 23.210 1 T 3.020e+06 0.00e+00 a 0 QD1.151 Q19.86 CD1.151 12 0.907 3.669 23.147 1 T 1.640e+06 0.00e+00 a 0 QD1.151 Q17.86 CD1.151 14 0.985 3.458 25.389 1 T 5.250e+06 0.00e+00 a 0 QD2.151 Q19.86 CD2.151 15 0.984 3.179 25.334 1 T 7.810e+05 0.00e+00 a 0 QD2.151 Q12.86 CD2.151 16 0.985 3.670 25.414 1 T 3.730e+06 0.00e+00 a 0 QD2.151 Q17.86 CD2.151 17 -0.083 3.165 25.908 1 T 4.640e+06 0.00e+00 a 0 QD1.89 Q12.86 CD1.89 18 1.804 3.157 26.905 1 T 1.200e+06 0.00e+00 a 0 HG2.145 Q14.86 CG.145 19 1.934 3.156 26.942 1 T 1.480e+06 0.00e+00 a 0 HG3.145 Q14.86 CG.145 20 1.676 3.659 27.185 1 T 9.900e+05 0.00e+00 a 0 HG3.82 Q17.86 CG.82 21 1.664 3.540 27.043 1 T 9.180e+05 0.00e+00 a 0 HG3.82 Q16.86 CG.82 22 1.306 3.657 27.024 1 T 9.500e+05 0.00e+00 a 0 HG2.82 Q17.86 CG.82 23 1.293 3.463 27.237 1 T 7.280e+05 0.00e+00 a 0 HG2.82 Q19.86 CG.82 24 2.259 3.166 29.954 1 T 9.810e+05 0.00e+00 a 0 HB3.145 Q14.86 CB.145 26 2.150 3.159 30.064 1 T 9.370e+05 0.00e+00 a 0 HB2.145 Q14.86 CB.145 27 1.661 3.469 42.288 1 T 9.060e+05 0.00e+00 a 0 HB3.151 Q19.86 CB.151 30 3.190 3.482 43.272 1 T 3.710e+06 0.00e+00 a 0 QD.82 Q19.86 CD.82 31 3.189 3.658 43.289 1 T 3.960e+06 0.00e+00 a 0 QD.82 Q17.86 CD.82 33 3.192 5.057 43.279 1 T 6.520e+05 0.00e+00 a 0 QD.82 H27.86 CD.82 36 1.071 3.179 41.813 1 T 9.410e+05 0.00e+00 a 0 HB3.89 Q12.86 CB.89 45 0.532 3.566 17.481 1 T 2.300e+06 0.00e+00 a 0 QG2.85 Q16.86 CG2.85 47 1.693 3.167 18.044 1 T 8.930e+05 0.00e+00 a 0 QB.147 Q14.86 CB.147 50 0.830 3.167 41.929 1 T 6.160e+05 0.00e+00 a 0 HB2.89 Q12.86 CB.89 53 3.264 3.152 39.997 1 T 1.470e+06 0.00e+00 a 0 QB.148 Q14.86 CB.148 55 3.399 3.152 43.793 1 T 1.160e+06 0.00e+00 a 0 HD3.145 Q14.86 CD.145 ; 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 . . 18.023 ppm . . . 4.840 . . 34528 4 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 4 3 . . C 13 C-aliphatic . . 69.994 ppm . . . 41.8 . . 34528 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 34528 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D filt. 1H-13C NOESY aromatic' _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 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 7.284 3.662 133.953 1 T 2.280e+06 0.00e+00 a 0 QD.23 Q17.86 CD2.23 2 7.019 3.166 131.408 1 T 2.470e+06 0.00e+00 a 0 QD.148 Q12.86 CD1.148 5 7.005 3.646 131.209 1 T 1.510e+06 0.00e+00 a 0 QD.148 Q17.86 CD1.148 6 7.013 3.499 131.444 1 T 1.570e+06 0.00e+00 a 0 QD.148 Q19.86 CD1.148 8 6.944 3.487 118.167 1 T 2.750e+06 0.00e+00 a 0 QE.23 Q19.86 CE2.23 9 6.944 3.670 118.214 1 T 3.770e+06 0.00e+00 a 0 QE.23 Q17.86 CE2.23 10 7.278 5.526 133.992 1 T 7.200e+05 0.00e+00 a 0 QD.23 H28.86 CD2.23 11 6.945 5.538 118.310 1 T 5.660e+05 0.00e+00 a 0 QE.23 H28.86 CE2.23 ; 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 . . 18.023 ppm . . . 4.840 . . 34528 5 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 5 3 . . C 13 C-aromatic . . 32.020 ppm . . . 127.0 . . 34528 5 stop_ save_