######################### # 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 31023 _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 '2D 1H-1H ROESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # Number of peaks 405 #FORMAT xeasy2D #INAME 1 H1 #INAME 2 H2 #SPECTRUM NOESY H1 H2 1 3.995 2.090 1 U 1.92e+06 0 e 0 0 0 0 2 1.359 2.081 1 U 3.97e+07 0 e 0 0 0 0 3 1.453 2.079 1 U 1.44e+07 0 e 0 0 0 0 4 0.918 2.080 1 U 1.68e+07 0 e 0 0 0 0 5 2.574 2.092 1 U 4.96e+06 0 e 0 0 0 0 6 3.482 2.092 1 U 1.02e+07 0 e 0 0 0 0 7 4.002 0.999 1 U 6.05e+06 0 e 0 0 0 0 8 4.011 0.977 1 U 2.13e+06 0 e 0 0 0 0 9 3.479 1.042 1 U 1.48e+06 0 e 0 0 0 0 10 3.354 1.041 1 U 3.66e+06 0 e 0 0 0 0 11 3.001 0.986 1 U 6.54e+06 0 e 0 0 0 0 12 4.876 0.801 1 U 3.61e+06 0 e 0 0 0 0 13 4.881 0.887 1 U 5.93e+06 0 e 0 0 0 0 14 4.872 0.921 1 U 3.82e+06 0 e 0 0 0 0 15 4.723 0.897 1 U 7.52e+06 0 e 0 0 0 0 16 4.727 0.969 1 U 1.41e+07 0 e 0 0 0 0 17 4.289 0.989 1 U 1.45e+07 0 e 0 0 0 0 18 4.385 0.900 1 U 3.09e+07 0 e 0 0 0 0 19 4.606 0.944 1 U 1.45e+07 0 e 0 0 0 0 20 6.699 0.966 1 U 4.11e+06 0 e 0 0 0 0 21 6.694 0.897 1 U 1.34e+07 0 e 0 0 0 0 22 7.167 0.903 1 U 1.79e+06 0 e 0 0 0 0 23 7.375 0.997 1 U 1.06e+07 0 e 0 0 0 0 24 7.413 1.183 1 U 7.51e+06 0 e 0 0 0 0 25 8.651 0.885 1 U 5.07e+06 0 e 0 0 0 0 26 7.136 1.501 1 U 8.68e+06 0 e 0 0 0 0 27 7.136 1.612 1 U 4.86e+06 0 e 0 0 0 0 28 7.410 1.581 1 U 7.06e+05 0 e 0 0 0 0 29 7.416 1.723 1 U 3.86e+06 0 e 0 0 0 0 30 7.374 2.303 1 U 4.15e+06 0 e 0 0 0 0 31 6.695 2.010 1 U 5.87e+06 0 e 0 0 0 0 32 8.650 2.172 1 U 4.29e+06 0 e 0 0 0 0 33 8.647 1.182 1 U 1.22e+06 0 e 0 0 0 0 34 7.386 1.953 1 U 1.08e+06 0 e 0 0 0 0 35 7.136 2.023 1 U 1.39e+06 0 e 0 0 0 0 36 6.698 2.360 1 U 9.86e+05 0 e 0 0 0 0 37 6.698 1.612 1 U 7.97e+05 0 e 0 0 0 0 38 6.696 1.502 1 U 3.02e+06 0 e 0 0 0 0 39 5.262 2.007 1 U 3.98e+06 0 e 0 0 0 0 40 5.299 1.714 1 U 3.68e+06 0 e 0 0 0 0 41 5.310 1.632 1 U 4.74e+06 0 e 0 0 0 0 42 5.258 1.509 1 U 2.18e+06 0 e 0 0 0 0 43 5.300 1.463 1 U 2.99e+06 0 e 0 0 0 0 44 5.257 1.141 1 U 4.16e+06 0 e 0 0 0 0 45 5.295 0.970 1 U 7.68e+06 0 e 0 0 0 0 46 5.301 0.934 1 U 1.59e+07 0 e 0 0 0 0 47 5.258 0.872 1 U 1.39e+07 0 e 0 0 0 0 48 4.510 0.799 1 U 3.57e+06 0 e 0 0 0 0 49 4.883 1.369 1 U 7.81e+05 0 e 0 0 0 0 50 4.883 1.466 1 U 6.78e+05 0 e 0 0 0 0 51 4.878 2.078 1 U 1.94e+06 0 e 0 0 0 0 52 4.881 2.167 1 U 1.24e+06 0 e 0 0 0 0 53 4.709 2.570 1 U 2.72e+06 0 e 0 0 0 0 54 4.727 2.004 1 U 7.56e+06 0 e 0 0 0 0 55 4.643 1.942 1 U 7.35e+06 0 e 0 0 0 0 56 4.640 2.018 1 U 2.27e+06 0 e 0 0 0 0 57 4.510 1.982 1 U 2.53e+06 0 e 0 0 0 0 58 4.717 1.952 1 U 4.08e+06 0 e 0 0 0 0 59 4.729 1.500 1 U 8.45e+05 0 e 0 0 0 0 60 4.605 1.721 1 U 2.05e+06 0 e 0 0 0 0 61 4.606 1.582 1 U 7.13e+06 0 e 0 0 0 0 62 4.508 1.626 1 U 2.21e+06 0 e 0 0 0 0 63 4.385 1.613 1 U 4.28e+06 0 e 0 0 0 0 64 4.384 1.494 1 U 1.12e+07 0 e 0 0 0 0 65 4.292 1.582 1 U 2.24e+06 0 e 0 0 0 0 66 4.509 1.395 1 U 6.63e+06 0 e 0 0 0 0 67 4.608 1.184 1 U 1.65e+06 0 e 0 0 0 0 68 4.510 1.043 1 U 2.24e+06 0 e 0 0 0 0 69 4.508 0.965 1 U 1.6e+07 0 e 0 0 0 0 70 4.637 2.358 1 U 6.73e+06 0 e 0 0 0 0 71 4.293 2.394 1 U 1.13e+07 0 e 0 0 0 0 72 4.290 2.298 1 U 5.66e+06 0 e 0 0 0 0 73 3.986 2.572 1 U 6.68e+05 0 e 0 0 0 0 74 3.549 2.383 1 U 1.78e+06 0 e 0 0 0 0 75 4.004 1.956 1 U 5.12e+06 0 e 0 0 0 0 76 3.996 1.985 1 U 2.17e+06 0 e 0 0 0 0 77 3.728 1.862 1 U 2.89e+06 0 e 0 0 0 0 78 3.635 2.022 1 U 1.01e+07 0 e 0 0 0 0 79 3.610 1.936 1 U 6e+06 0 e 0 0 0 0 80 3.545 2.023 1 U 5.41e+06 0 e 0 0 0 0 81 3.537 1.927 1 U 8.24e+06 0 e 0 0 0 0 82 3.547 1.854 1 U 5.78e+06 0 e 0 0 0 0 83 3.519 1.942 1 U 8.58e+06 0 e 0 0 0 0 84 3.728 1.770 1 U 6.11e+06 0 e 0 0 0 0 85 3.560 1.758 1 U 1.1e+06 0 e 0 0 0 0 86 3.357 1.968 1 U 8.49e+06 0 e 0 0 0 0 87 3.137 2.006 1 U 1.42e+07 0 e 0 0 0 0 88 3.004 2.006 1 U 3.39e+06 0 e 0 0 0 0 89 2.995 2.307 1 U 3.5e+06 0 e 0 0 0 0 90 3.136 1.707 1 U 1.62e+07 0 e 0 0 0 0 91 3.136 1.640 1 U 1.06e+07 0 e 0 0 0 0 92 3.357 1.623 1 U 9.02e+06 0 e 0 0 0 0 93 3.529 1.626 1 U 1.47e+06 0 e 0 0 0 0 94 3.611 1.631 1 U 1.16e+06 0 e 0 0 0 0 95 3.482 1.415 1 U 4.55e+06 0 e 0 0 0 0 96 3.359 1.412 1 U 1.33e+06 0 e 0 0 0 0 97 3.135 1.463 1 U 8.49e+06 0 e 0 0 0 0 98 2.992 1.138 1 U 3.34e+06 0 e 0 0 0 0 99 3.136 0.904 1 U 1.06e+07 0 e 0 0 0 0 100 3.544 0.934 1 U 1.77e+06 0 e 0 0 0 0 101 3.357 0.798 1 U 4.43e+06 0 e 0 0 0 0 102 2.575 1.949 1 U 4.94e+07 0 e 0 0 0 0 103 2.378 2.010 1 U 7.41e+06 0 e 0 0 0 0 104 2.383 1.946 1 U 7.57e+07 0 e 0 0 0 0 105 2.388 1.868 1 U 4.06e+06 0 e 0 0 0 0 106 2.418 1.754 1 U 1.7e+06 0 e 0 0 0 0 107 1.953 2.366 1 U 6.34e+07 0 e 0 0 0 0 108 1.953 2.366 1 U 6.34e+07 0 e 0 0 0 0 109 1.763 2.399 1 U 2.28e+06 0 e 0 0 0 0 110 1.946 2.578 1 U 5.14e+07 0 e 0 0 0 0 111 2.108 2.573 1 U 3.45e+06 0 e 0 0 0 0 112 0.985 2.305 1 U 2.1e+07 0 e 0 0 0 0 113 0.893 2.369 1 U 1.46e+06 0 e 0 0 0 0 114 1.577 2.404 1 U 1.3e+06 0 e 0 0 0 0 115 1.605 2.379 1 U 1.28e+06 0 e 0 0 0 0 116 0.796 2.176 1 U 1.01e+07 0 e 0 0 0 0 117 0.888 2.171 1 U 1.19e+07 0 e 0 0 0 0 118 1.002 2.175 1 U 3.17e+06 0 e 0 0 0 0 119 0.955 2.017 1 U 1.95e+07 0 e 0 0 0 0 120 1.139 2.016 1 U 4.82e+07 0 e 0 0 0 0 121 1.607 1.981 1 U 1.15e+07 0 e 0 0 0 0 122 1.202 1.944 1 U 1.35e+06 0 e 0 0 0 0 123 0.919 1.916 1 U 3.87e+06 0 e 0 0 0 0 124 1.190 1.726 1 U 5.53e+06 0 e 0 0 0 0 125 0.916 1.627 1 U 3.75e+07 0 e 0 0 0 0 126 0.949 1.710 1 U 2.33e+07 0 e 0 0 0 0 127 0.894 1.507 1 U 3.8e+07 0 e 0 0 0 0 128 1.180 1.582 1 U 4.11e+07 0 e 0 0 0 0 129 2.389 1.582 1 U 3.15e+06 0 e 0 0 0 0 130 2.168 1.616 1 U 1.08e+06 0 e 0 0 0 0 131 1.954 1.469 1 U 5.87e+06 0 e 0 0 0 0 132 2.086 1.450 1 U 3.4e+06 0 e 0 0 0 0 133 1.981 1.394 1 U 5.11e+07 0 e 0 0 0 0 134 2.079 1.365 1 U 4.64e+07 0 e 0 0 0 0 135 2.012 1.138 1 U 4.83e+07 0 e 0 0 0 0 136 2.307 0.978 1 U 1.79e+07 0 e 0 0 0 0 137 2.170 0.883 1 U 3.05e+07 0 e 0 0 0 0 138 2.073 0.917 1 U 1.87e+07 0 e 0 0 0 0 139 2.013 0.961 1 U 6.5e+07 0 e 0 0 0 0 140 1.955 0.905 1 U 5.68e+06 0 e 0 0 0 0 141 1.604 0.905 1 U 3.74e+07 0 e 0 0 0 0 142 1.608 0.797 1 U 1.95e+06 0 e 0 0 0 0 143 1.458 0.960 1 U 5.83e+07 0 e 0 0 0 0 144 2.385 3.542 1 U 3.98e+06 0 e 0 0 0 0 145 2.359 3.621 1 U 2.38e+06 0 e 0 0 0 0 146 2.019 3.629 1 U 9.09e+06 0 e 0 0 0 0 147 2.096 3.488 1 U 6.9e+06 0 e 0 0 0 0 148 1.949 3.490 1 U 4.58e+06 0 e 0 0 0 0 149 1.785 3.556 1 U 2.9e+06 0 e 0 0 0 0 150 1.771 4.289 1 U 8.08e+05 0 e 0 0 0 0 151 1.956 4.286 1 U 3.79e+06 0 e 0 0 0 0 152 2.297 4.286 1 U 7.67e+06 0 e 0 0 0 0 153 2.102 4.000 1 U 3.12e+06 0 e 0 0 0 0 154 1.956 4.000 1 U 8.06e+06 0 e 0 0 0 0 155 1.952 3.725 1 U 1.3e+06 0 e 0 0 0 0 156 1.855 3.726 1 U 3.09e+06 0 e 0 0 0 0 157 1.764 3.727 1 U 6.06e+06 0 e 0 0 0 0 158 0.959 7.420 1 U 1.16e+06 0 e 0 0 0 0 159 1.173 7.379 1 U 1.5e+06 0 e 0 0 0 0 160 0.995 7.372 1 U 1.07e+07 0 e 0 0 0 0 161 1.729 7.420 1 U 4.65e+06 0 e 0 0 0 0 162 2.299 7.371 1 U 7.42e+06 0 e 0 0 0 0 163 1.491 7.137 1 U 9.23e+06 0 e 0 0 0 0 164 1.606 7.137 1 U 4.58e+06 0 e 0 0 0 0 165 0.910 7.138 1 U 1.62e+06 0 e 0 0 0 0 166 0.896 6.690 1 U 9.82e+06 0 e 0 0 0 0 167 2.011 6.691 1 U 8.31e+06 0 e 0 0 0 0 168 1.502 6.690 1 U 3.44e+06 0 e 0 0 0 0 169 3.136 7.137 1 U 3.84e+06 0 e 0 0 0 0 170 3.633 7.137 1 U 2.69e+06 0 e 0 0 0 0 171 3.633 6.697 1 U 8.67e+05 0 e 0 0 0 0 172 2.355 6.689 1 U 1.22e+06 0 e 0 0 0 0 173 4.384 6.695 1 U 2.07e+07 0 e 0 0 0 0 174 4.727 6.694 1 U 4.35e+06 0 e 0 0 0 0 175 4.384 7.140 1 U 5.82e+06 0 e 0 0 0 0 176 4.636 7.138 1 U 8.51e+06 0 e 0 0 0 0 177 4.289 7.372 1 U 4.92e+06 0 e 0 0 0 0 178 4.004 7.370 1 U 1.43e+06 0 e 0 0 0 0 179 4.005 7.409 1 U 1.47e+06 0 e 0 0 0 0 180 4.600 7.421 1 U 2.48e+06 0 e 0 0 0 0 181 4.718 7.411 1 U 2.41e+06 0 e 0 0 0 0 182 4.607 7.369 1 U 1.39e+06 0 e 0 0 0 0 183 7.136 6.694 1 U 2.94e+06 0 e 0 0 0 0 184 6.698 7.134 1 U 3.25e+06 0 e 0 0 0 0 185 8.654 7.372 1 U 1.39e+06 0 e 0 0 0 0 186 7.383 8.657 1 U 1.8e+06 0 e 0 0 0 0 187 5.253 8.658 1 U 1.49e+06 0 e 0 0 0 0 188 5.005 8.659 1 U 1.34e+06 0 e 0 0 0 0 189 4.843 8.647 1 U 1.57e+06 0 e 0 0 0 0 190 4.292 8.643 1 U 1.39e+06 0 e 0 0 0 0 191 2.172 8.644 1 U 7.21e+06 0 e 0 0 0 0 192 0.887 8.645 1 U 5.45e+06 0 e 0 0 0 0 193 1.180 8.658 1 U 1.08e+06 0 e 0 0 0 0 194 1.181 7.410 1 U 5.79e+06 0 e 0 0 0 0 195 1.964 7.372 1 U 6.86e+05 0 e 0 0 0 0 196 5.321 7.129 1 U 6.61e+05 0 e 0 0 0 0 197 7.135 5.307 1 U 1.12e+06 0 e 0 0 0 0 198 6.697 5.314 1 U 5.87e+05 0 e 0 0 0 0 199 6.698 4.719 1 U 7.44e+06 0 e 0 0 0 0 200 6.695 4.380 1 U 2e+07 0 e 0 0 0 0 201 7.136 4.638 1 U 1.31e+07 0 e 0 0 0 0 202 7.415 4.709 1 U 6.84e+06 0 e 0 0 0 0 203 7.391 4.618 1 U 1.32e+06 0 e 0 0 0 0 204 7.136 4.384 1 U 5.56e+06 0 e 0 0 0 0 205 7.381 4.282 1 U 4.51e+06 0 e 0 0 0 0 206 7.409 4.505 1 U 6.02e+05 0 e 0 0 0 0 207 7.394 3.999 1 U 1.83e+06 0 e 0 0 0 0 208 7.135 3.629 1 U 2.81e+06 0 e 0 0 0 0 209 6.696 3.628 1 U 9.11e+05 0 e 0 0 0 0 210 5.304 3.629 1 U 1.22e+07 0 e 0 0 0 0 211 5.306 3.545 1 U 1.67e+07 0 e 0 0 0 0 212 5.256 4.288 1 U 6.59e+06 0 e 0 0 0 0 213 4.292 5.253 1 U 1.1e+07 0 e 0 0 0 0 214 4.292 5.009 1 U 1.43e+07 0 e 0 0 0 0 215 4.853 5.011 1 U 4.63e+06 0 e 0 0 0 0 216 4.509 4.000 1 U 2.14e+07 0 e 0 0 0 0 217 4.509 4.000 1 U 2.14e+07 0 e 0 0 0 0 218 4.667 3.535 1 U 1.17e+06 0 e 0 0 0 0 219 4.293 3.535 1 U 1.24e+06 0 e 0 0 0 0 220 4.006 3.478 1 U 4.48e+07 0 e 0 0 0 0 221 3.543 3.732 1 U 4.59e+07 0 e 0 0 0 0 222 3.699 3.536 1 U 4.39e+07 0 e 0 0 0 0 223 3.481 4.000 1 U 6.56e+07 0 e 0 0 0 0 224 3.539 4.286 1 U 1.61e+06 0 e 0 0 0 0 225 3.603 4.634 1 U 1.99e+06 0 e 0 0 0 0 226 3.516 4.637 1 U 1.65e+06 0 e 0 0 0 0 227 3.480 4.708 1 U 1.37e+06 0 e 0 0 0 0 228 0.947 5.308 1 U 2.42e+07 0 e 0 0 0 0 229 0.874 5.253 1 U 1.36e+07 0 e 0 0 0 0 230 1.141 5.254 1 U 7.92e+06 0 e 0 0 0 0 231 1.452 5.296 1 U 5.42e+06 0 e 0 0 0 0 232 1.511 5.253 1 U 4.09e+06 0 e 0 0 0 0 233 1.637 5.295 1 U 1.05e+07 0 e 0 0 0 0 234 1.692 5.309 1 U 1.29e+07 0 e 0 0 0 0 235 2.011 5.256 1 U 7.63e+06 0 e 0 0 0 0 236 0.918 4.993 1 U 3.81e+06 0 e 0 0 0 0 237 1.360 4.993 1 U 6.05e+06 0 e 0 0 0 0 238 1.460 4.993 1 U 2.23e+06 0 e 0 0 0 0 239 1.363 4.870 1 U 2.43e+06 0 e 0 0 0 0 240 1.474 4.870 1 U 2.56e+06 0 e 0 0 0 0 241 0.913 4.870 1 U 2.06e+07 0 e 0 0 0 0 242 0.803 4.870 1 U 7.57e+06 0 e 0 0 0 0 243 0.955 4.721 1 U 1.63e+07 0 e 0 0 0 0 244 0.897 4.721 1 U 1.19e+07 0 e 0 0 0 0 245 0.947 4.606 1 U 1.31e+07 0 e 0 0 0 0 246 1.040 4.503 1 U 1.28e+06 0 e 0 0 0 0 247 0.897 4.381 1 U 1.92e+07 0 e 0 0 0 0 248 0.986 4.284 1 U 1.8e+07 0 e 0 0 0 0 249 1.171 4.618 1 U 2.23e+06 0 e 0 0 0 0 250 1.579 4.608 1 U 8.59e+06 0 e 0 0 0 0 251 1.726 4.608 1 U 2.87e+06 0 e 0 0 0 0 252 1.954 4.643 1 U 2.04e+07 0 e 0 0 0 0 253 1.954 4.643 1 U 2.04e+07 0 e 0 0 0 0 254 2.006 4.723 1 U 1.44e+07 0 e 0 0 0 0 255 2.078 4.870 1 U 8.1e+06 0 e 0 0 0 0 256 2.170 4.870 1 U 3.63e+06 0 e 0 0 0 0 257 1.616 4.511 1 U 2.65e+06 0 e 0 0 0 0 258 1.974 4.512 1 U 4.05e+06 0 e 0 0 0 0 259 2.358 4.634 1 U 1.13e+07 0 e 0 0 0 0 260 2.573 4.709 1 U 8.29e+06 0 e 0 0 0 0 261 2.390 4.289 1 U 1.13e+07 0 e 0 0 0 0 262 1.607 4.382 1 U 5.21e+06 0 e 0 0 0 0 263 1.519 4.379 1 U 1.02e+06 0 e 0 0 0 0 264 5.244 2.997 1 U 2.67e+06 0 e 0 0 0 0 265 7.135 3.135 1 U 7.75e+06 0 e 0 0 0 0 266 8.650 4.867 1 U 4.98e+06 0 e 0 0 0 0 267 8.642 4.287 1 U 1.09e+06 0 e 0 0 0 0 268 8.654 5.008 1 U 5.41e+06 0 e 0 0 0 0 269 8.660 5.253 1 U 1.73e+06 0 e 0 0 0 0 270 3.357 4.870 1 U 3.4e+07 0 e 0 0 0 0 271 3.542 5.307 1 U 3.27e+07 0 e 0 0 0 0 272 3.633 5.307 1 U 2.23e+07 0 e 0 0 0 0 273 3.137 5.308 1 U 4.62e+06 0 e 0 0 0 0 274 2.986 5.254 1 U 2.4e+06 0 e 0 0 0 0 275 4.003 4.495 1 U 1.78e+07 0 e 0 0 0 0 276 3.487 4.508 1 U 1.08e+07 0 e 0 0 0 0 277 3.374 4.504 1 U 8.07e+05 0 e 0 0 0 0 278 3.136 4.721 1 U 6.2e+07 0 e 0 0 0 0 279 3.106 4.630 1 U 6.84e+06 0 e 0 0 0 0 280 2.998 4.284 1 U 2.61e+07 0 e 0 0 0 0 281 1.578 4.290 1 U 1.93e+06 0 e 0 0 0 0 282 0.991 4.000 1 U 5.91e+06 0 e 0 0 0 0 283 0.797 4.501 1 U 3.11e+06 0 e 0 0 0 0 284 1.482 4.641 1 U 1.15e+06 0 e 0 0 0 0 285 1.725 4.711 1 U 1.67e+06 0 e 0 0 0 0 286 1.486 4.718 1 U 2.17e+06 0 e 0 0 0 0 287 1.184 5.009 1 U 4.56e+06 0 e 0 0 0 0 288 1.579 4.993 1 U 5.49e+06 0 e 0 0 0 0 289 1.951 4.993 1 U 6.54e+06 0 e 0 0 0 0 290 2.391 4.993 1 U 1.13e+06 0 e 0 0 0 0 291 2.025 5.315 1 U 9.1e+05 0 e 0 0 0 0 292 0.916 3.630 1 U 1.84e+06 0 e 0 0 0 0 293 0.952 3.547 1 U 2.71e+06 0 e 0 0 0 0 294 0.965 3.478 1 U 1.83e+06 0 e 0 0 0 0 295 1.037 3.478 1 U 8.97e+05 0 e 0 0 0 0 296 1.392 3.478 1 U 6.23e+06 0 e 0 0 0 0 297 1.613 3.479 1 U 1.4e+06 0 e 0 0 0 0 298 1.639 3.535 1 U 2.87e+06 0 e 0 0 0 0 299 1.450 3.546 1 U 1.01e+06 0 e 0 0 0 0 300 1.635 3.620 1 U 1.68e+06 0 e 0 0 0 0 301 1.933 3.627 1 U 6.24e+06 0 e 0 0 0 0 302 1.969 3.547 1 U 1.08e+07 0 e 0 0 0 0 303 0.897 3.134 1 U 1.71e+07 0 e 0 0 0 0 304 0.953 3.133 1 U 2.14e+07 0 e 0 0 0 0 305 1.707 3.133 1 U 3.29e+07 0 e 0 0 0 0 306 2.009 3.135 1 U 3.19e+07 0 e 0 0 0 0 307 2.013 2.996 1 U 1.91e+07 0 e 0 0 0 0 308 1.143 2.996 1 U 1.58e+07 0 e 0 0 0 0 309 0.983 2.996 1 U 2.06e+07 0 e 0 0 0 0 310 2.295 2.997 1 U 2.16e+07 0 e 0 0 0 0 311 1.979 3.358 1 U 3.8e+07 0 e 0 0 0 0 312 1.615 3.358 1 U 1.85e+07 0 e 0 0 0 0 313 1.406 3.358 1 U 2.96e+06 0 e 0 0 0 0 314 1.040 3.358 1 U 5.22e+06 0 e 0 0 0 0 315 0.800 3.358 1 U 5.75e+06 0 e 0 0 0 0 316 4.289 2.996 1 U 6.94e+07 0 e 0 0 0 0 317 4.724 3.134 1 U 5.59e+07 0 e 0 0 0 0 318 4.873 3.358 1 U 1.88e+07 0 e 0 0 0 0 319 5.298 3.133 1 U 4.71e+06 0 e 0 0 0 0 320 4.508 3.488 1 U 7.64e+06 0 e 0 0 0 0 321 4.509 3.358 1 U 4.06e+06 0 e 0 0 0 0 322 1.186 0.917 1 U 1.07e+07 0 e 0 0 0 0 323 1.733 0.906 1 U 1.65e+07 0 e 0 0 0 0 324 1.729 0.937 1 U 3.76e+07 0 e 0 0 0 0 325 1.665 0.925 1 U 1.41e+07 0 e 0 0 0 0 326 1.636 0.961 1 U 3.98e+07 0 e 0 0 0 0 327 1.458 0.924 1 U 6.25e+07 0 e 0 0 0 0 328 1.485 0.904 1 U 6.96e+07 0 e 0 0 0 0 329 1.630 1.033 1 U 2.22e+07 0 e 0 0 0 0 330 1.417 1.036 1 U 7.87e+06 0 e 0 0 0 0 331 1.539 1.125 1 U 2.75e+06 0 e 0 0 0 0 332 1.579 1.163 1 U 2.86e+07 0 e 0 0 0 0 333 1.579 1.183 1 U 5.08e+07 0 e 0 0 0 0 334 1.578 1.204 1 U 2.05e+07 0 e 0 0 0 0 335 1.731 1.199 1 U 5.87e+06 0 e 0 0 0 0 336 1.730 1.183 1 U 8.19e+06 0 e 0 0 0 0 337 1.730 1.183 1 U 8.19e+06 0 e 0 0 0 0 338 2.013 0.889 1 U 7.24e+07 0 e 0 0 0 0 339 1.979 1.040 1 U 1.24e+07 0 e 0 0 0 0 340 1.979 1.040 1 U 1.24e+07 0 e 0 0 0 0 341 1.963 1.001 1 U 4.09e+06 0 e 0 0 0 0 342 2.176 1.002 1 U 3.61e+06 0 e 0 0 0 0 343 2.304 0.993 1 U 2.24e+07 0 e 0 0 0 0 344 3.137 0.969 1 U 1.51e+07 0 e 0 0 0 0 345 4.629 0.907 1 U 1.32e+06 0 e 0 0 0 0 346 1.515 0.860 1 U 3.21e+07 0 e 0 0 0 0 347 2.175 0.794 1 U 2.28e+07 0 e 0 0 0 0 348 1.603 2.006 1 U 6.4e+06 0 e 0 0 0 0 349 1.482 2.012 1 U 7.65e+06 0 e 0 0 0 0 350 1.887 1.752 1 U 1.22e+07 0 e 0 0 0 0 351 1.398 4.501 1 U 5.66e+06 0 e 0 0 0 0 352 0.967 4.502 1 U 7.83e+06 0 e 0 0 0 0 353 1.940 4.708 1 U 1.25e+07 0 e 0 0 0 0 354 1.636 3.135 1 U 2.52e+07 0 e 0 0 0 0 355 0.890 2.016 1 U 2.61e+07 0 e 0 0 0 0 356 1.384 1.977 1 U 4.33e+07 0 e 0 0 0 0 357 0.963 1.977 1 U 3.86e+06 0 e 0 0 0 0 358 0.967 1.624 1 U 1.17e+07 0 e 0 0 0 0 359 1.033 1.977 1 U 4.94e+06 0 e 0 0 0 0 360 1.029 1.622 1 U 3.38e+06 0 e 0 0 0 0 361 0.916 1.365 1 U 1.9e+07 0 e 0 0 0 0 362 3.487 0.961 1 U 2.77e+06 0 e 0 0 0 0 363 3.521 0.972 1 U 5.43e+06 0 e 0 0 0 0 364 1.900 3.546 1 U 9.27e+06 0 e 0 0 0 0 365 7.362 4.992 1 U 3e+05 0 e 0 0 0 0 366 3.356 7.416 1 U 5.27e+05 0 e 0 0 0 0 367 2.027 7.138 1 U 8.98e+05 0 e 0 0 0 0 368 1.954 7.422 1 U 8.34e+05 0 e 0 0 0 0 369 2.357 7.133 1 U 8.24e+05 0 e 0 0 0 0 370 2.727 7.122 1 U 4.85e+05 0 e 0 0 0 0 371 2.586 7.420 1 U 3.6e+05 0 e 0 0 0 0 372 3.137 6.686 1 U 7.57e+05 0 e 0 0 0 0 373 5.312 6.687 1 U 5e+05 0 e 0 0 0 0 374 1.588 6.689 1 U 5.75e+05 0 e 0 0 0 0 375 0.973 6.693 1 U 2.38e+06 0 e 0 0 0 0 376 0.969 8.654 1 U 5.53e+05 0 e 0 0 0 0 377 4.199 2.157 1 U 3.09e+06 0 e 0 0 0 0 378 4.292 1.959 1 U 4.33e+06 0 e 0 0 0 0 379 4.293 1.858 1 U 6.83e+05 0 e 0 0 0 0 380 4.296 1.759 1 U 5.7e+05 0 e 0 0 0 0 381 4.719 1.728 1 U 5.55e+05 0 e 0 0 0 0 382 4.702 1.611 1 U 3.39e+05 0 e 0 0 0 0 383 7.134 2.357 1 U 8.5e+05 0 e 0 0 0 0 384 7.364 2.168 1 U 4.36e+05 0 e 0 0 0 0 385 3.632 2.357 1 U 2.04e+06 0 e 0 0 0 0 386 1.479 3.133 1 U 2.17e+07 0 e 0 0 0 0 387 2.075 4.993 1 U 8.18e+05 0 e 0 0 0 0 388 4.513 7.420 1 U 6.03e+05 0 e 0 0 0 0 389 4.521 7.366 1 U 3.23e+05 0 e 0 0 0 0 390 1.697 0.957 1 U 1.57e+07 0 e 0 0 0 0 391 3.360 1.990 1 U 6.46e+06 0 e 0 0 0 0 392 3.483 1.382 1 U 4.25e+06 0 e 0 0 0 0 393 0.923 3.357 1 U 4.42e+06 0 e 0 0 0 0 394 1.190 7.371 1 U 1.45e+06 0 e 0 0 0 0 395 1.724 7.365 1 U 2.75e+05 0 e 0 0 0 0 396 7.417 4.594 1 U 2.74e+06 0 e 0 0 0 0 397 2.389 1.599 1 U 1.7e+06 0 e 0 0 0 0 398 7.357 2.993 1 U 5.08e+05 0 e 0 0 0 0 399 1.513 2.299 1 U 7.1e+05 0 e 0 0 0 0 400 0.796 2.310 1 U 4.96e+05 0 e 0 0 0 0 401 2.386 2.997 1 U 5.25e+06 0 e 0 0 0 0 402 2.983 1.501 1 U 7.15e+05 0 e 0 0 0 0 403 1.954 0.963 1 U 4.66e+06 0 e 0 0 0 0 404 2.578 0.950 1 U 6.86e+05 0 e 0 0 0 0 405 1.720 0.966 1 U 1.37e+07 0 e 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 . . 9615 Hz . . . 4.97 . . 31023 1 2 . . H 1 H . . 9597 Hz . . . 4.97 . . 31023 1 stop_ save_