######################### # 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 34649 _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 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # Number of peaks 608 #FORMAT cyana3D #INAME 1 H #INAME 2 h #CYANAFORMAT Hh 1 8.214 8.563 1 U 3.72e+06 0 e 0 114 124 0 2 8.183 8.712 1 U 2.7e+06 0 e 0 20 14 0 3 8.244 8.453 1 U 3.87e+06 0 e 0 48 56 0 4 8.392 8.479 1 U 2.06e+06 0 e 0 153 145 0 5 8.450 8.563 1 U 2.78e+06 0 e 0 131 124 0 6 8.184 7.574 1 U 4.42e+06 0 e 0 20 28 0 7 7.481 7.763 1 U 4.48e+06 0 e 0 33 40 0 8 8.243 7.763 1 U 3.75e+06 0 e 0 48 40 0 9 7.840 8.218 1 U 4.42e+06 0 e 0 102 114 0 10 7.788 8.312 1 U 6.21e+06 0 e 0 184 187 0 11 7.788 8.043 1 U 6.7e+06 0 e 0 184 181 0 12 7.837 8.041 1 U 4.35e+06 0 e 0 102 96 0 13 8.007 8.313 1 U 3.75e+06 0 e 0 191 187 0 14 8.068 8.228 1 U 4.18e+06 0 e 0 77 86 0 15 8.068 7.973 1 U 4.69e+06 0 e 0 77 68 0 16 8.252 7.972 1 U 3.68e+06 0 e 0 66 68 0 17 7.986 8.396 1 U 2.78e+06 0 e 0 160 153 0 18 7.984 8.201 1 U 3.57e+06 0 e 0 160 165 0 19 8.199 8.479 1 U 2.53e+06 0 e 0 165 173 0 20 8.217 8.453 1 U 3.44e+06 0 e 0 61 56 0 21 2.065 7.762 1 U 3.27e+06 0 e 0 35 40 0 22 3.836 7.483 1 U 5.63e+06 0 e 0 34 33 0 23 3.731 8.216 1 U 8.43e+06 0 e 0 115 114 0 24 2.951 8.218 1 U 8.9e+05 0 e 0 59 61 0 25 3.372 3.768 1 U 5.07e+05 0 e 0 193 199 0 26 3.372 3.664 1 U 1.11e+06 0 e 0 193 200 0 27 2.324 3.769 1 U 4.39e+06 0 e 0 197 199 0 28 8.037 7.842 1 U 3.71e+06 0 e 0 96 102 0 29 4.059 7.842 1 U 5.98e+06 0 e 0 103 102 0 30 7.236 8.183 1 U 4.44e+05 0 e 0 18 20 0 31 7.570 8.186 1 U 4.12e+06 0 e 0 28 20 0 32 1.968 7.762 1 U 6.66e+06 0 e 0 42 40 0 33 0.906 7.760 1 U 4.56e+06 0 e 0 46 40 0 34 4.095 8.314 1 U 4.82e+06 0 e 0 188 187 0 35 4.084 8.454 1 U 1.81e+06 0 e 0 49 56 0 36 8.558 8.452 1 U 3.1e+06 0 e 0 124 131 0 37 8.061 8.454 1 U 3.68e+06 0 e 0 138 131 0 38 4.130 8.564 1 U 3.6e+06 0 e 0 125 124 0 39 3.732 8.563 1 U 1.76e+06 0 e 0 115 124 0 40 3.657 8.563 1 U 3.17e+06 0 e 0 97 124 0 41 3.657 8.451 1 U 1.27e+06 0 e 0 97 131 0 42 3.274 8.227 1 U 1.31e+07 0 e 0 88 86 0 43 7.967 8.224 1 U 1.37e+06 0 e 0 68 86 0 44 7.760 8.247 1 U 3.66e+06 0 e 0 40 48 0 45 7.984 8.477 1 U 6.84e+05 0 e 0 160 145 0 46 3.944 8.479 1 U 2.08e+06 0 e 0 154 173 0 47 8.475 8.395 1 U 2.35e+06 0 e 0 145 153 0 48 8.253 8.220 1 U 5.74e+06 0 e 0 48 61 0 49 8.199 7.987 1 U 2.87e+06 0 e 0 165 160 0 50 8.393 7.988 1 U 2.66e+06 0 e 0 153 160 0 51 8.474 7.986 1 U -1.1e+06 0 e 0 145 160 0 52 8.060 8.478 1 U 4.75e+06 0 e 0 138 145 0 53 8.061 8.563 1 U 5.48e+05 0 e 0 138 124 0 54 7.787 8.476 1 U 2.24e+05 0 e 0 184 173 0 55 6.586 8.454 1 U 3.56e+05 0 e 0 135 131 0 56 7.840 8.563 1 U 5.8e+05 0 e 0 102 124 0 57 2.950 8.011 1 U 1.03e+06 0 e 0 194 191 0 58 3.383 8.011 1 U 4.08e+06 0 e 0 193 191 0 59 2.974 8.455 1 U 2.04e+07 0 e 0 133 131 0 60 2.774 8.454 1 U 2.02e+07 0 e 0 134 131 0 61 2.984 4.062 1 U 3.25e+06 0 e 0 52 21 0 62 7.757 8.452 1 U 2.27e+05 0 e 0 40 56 0 63 7.589 8.452 1 U 6.3e+05 0 e 0 28 56 0 64 4.055 8.452 1 U 3.83e+06 0 e 0 103 131 0 65 3.839 8.453 1 U 1.94e+06 0 e 0 34 56 0 66 3.732 8.453 1 U 1.05e+06 0 e 0 41 56 0 67 3.077 8.452 1 U 6.24e+06 0 e 0 58 56 0 68 2.923 8.452 1 U 1.18e+06 0 e 0 59 56 0 69 1.929 8.452 1 U 1.37e+07 0 e 0 126 131 0 70 1.583 8.452 1 U 9.15e+05 0 e 0 128 131 0 71 2.091 8.479 1 U 2.25e+06 0 e 0 167 173 0 72 2.829 8.478 1 U 3.41e+06 0 e 0 141 145 0 73 3.051 8.478 1 U 3.41e+06 0 e 0 140 145 0 74 3.240 8.711 1 U 5.74e+06 0 e 0 16 14 0 75 3.074 8.217 1 U 2.78e+05 0 e 0 58 61 0 76 2.065 8.216 1 U 1.92e+07 0 e 0 35 61 0 77 1.979 8.216 1 U 1.24e+07 0 e 0 116 114 0 78 1.546 8.475 1 U 1.25e+06 0 e 0 178 173 0 79 1.547 8.313 1 U 1.5e+06 0 e 0 183 187 0 80 1.545 8.047 1 U 4.74e+06 0 e 0 183 181 0 81 1.547 7.792 1 U 2.17e+06 0 e 0 183 184 0 82 3.997 7.970 1 U 4.92e+06 0 e 0 67 68 0 83 4.201 7.973 1 U 3.42e+06 0 e 0 69 68 0 84 4.601 7.971 1 U 6.36e+04 0 e 0 57 68 0 85 8.475 7.791 1 U 4.01e+05 0 e 0 173 184 0 86 7.482 8.247 1 U 8.83e+05 0 e 0 33 48 0 87 7.968 8.256 1 U 3.66e+06 0 e 0 68 66 0 88 8.069 8.257 1 U 3.76e+05 0 e 0 77 66 0 89 4.201 8.014 1 U 2.44e+06 0 e 0 69 91 0 90 4.056 8.184 1 U 8.68e+06 0 e 0 21 20 0 91 4.056 8.071 1 U 5.67e+06 0 e 0 78 77 0 92 4.086 8.247 1 U 6.19e+06 0 e 0 49 48 0 93 4.137 8.255 1 U 1.74e+06 0 e 0 63 66 0 94 4.134 8.395 1 U 2.44e+05 0 e 0 125 153 0 95 4.135 8.479 1 U 6.09e+06 0 e 0 146 145 0 96 4.133 8.454 1 U 1.87e+06 0 e 0 125 131 0 97 4.082 8.710 1 U 2.39e+06 0 e 0 11 14 0 98 3.908 8.711 1 U 1.96e+06 0 e 0 12 14 0 99 3.937 8.312 1 U 1.2e+07 0 e 0 186 187 0 100 3.946 8.396 1 U 4.94e+06 0 e 0 154 153 0 101 4.000 8.255 1 U 1.39e+07 0 e 0 67 66 0 102 3.998 8.226 1 U 1.47e+06 0 e 0 67 86 0 103 4.224 8.477 1 U 2.67e+06 0 e 0 174 173 0 104 4.305 8.312 1 U 4.28e+04 0 e 0 185 187 0 105 4.350 8.224 1 U 1.15e+06 0 e 0 62 61 0 106 4.421 8.185 1 U 1.26e+05 0 e 0 15 20 0 107 4.354 8.452 1 U 5.21e+04 0 e 0 29 56 0 108 4.608 8.452 1 U 7.24e+03 0 e 0 57 56 0 109 4.601 8.224 1 U 4.4e+04 0 e 0 57 61 0 110 1.294 8.222 1 U 2.45e+06 0 e 0 64 61 0 111 1.294 8.255 1 U 1.99e+06 0 e 0 64 66 0 112 1.497 8.217 1 U 3.07e+06 0 e 0 44 61 0 113 3.837 8.217 1 U 8.03e+05 0 e 0 34 61 0 114 4.138 8.217 1 U 5.66e+06 0 e 0 63 61 0 115 4.185 8.199 1 U 4.93e+06 0 e 0 166 165 0 116 4.137 8.070 1 U 1.6e+06 0 e 0 125 138 0 117 4.352 8.247 1 U 1.89e+06 0 e 0 29 48 0 118 1.293 8.453 1 U 1.16e+05 0 e 0 64 56 0 119 1.124 8.455 1 U 2.97e+05 0 e 0 99 131 0 120 1.068 8.217 1 U 2.79e+06 0 e 0 119 114 0 121 0.919 8.561 1 U 2.91e+06 0 e 0 127 124 0 122 1.982 8.562 1 U 5.4e+06 0 e 0 116 124 0 123 1.924 8.561 1 U 1.03e+07 0 e 0 126 124 0 124 1.848 8.561 1 U 8.34e+06 0 e 0 148 124 0 125 1.586 8.562 1 U 2.84e+06 0 e 0 128 124 0 126 8.312 8.011 1 U 4.85e+06 0 e 0 187 191 0 127 8.225 8.072 1 U 4.41e+06 0 e 0 86 77 0 128 8.226 8.015 1 U 4.08e+06 0 e 0 86 91 0 129 8.215 7.842 1 U 4.12e+06 0 e 0 114 102 0 130 8.312 7.792 1 U 6.08e+06 0 e 0 187 184 0 131 8.042 7.792 1 U 6.29e+06 0 e 0 181 184 0 132 7.969 8.071 1 U 4.21e+06 0 e 0 68 77 0 133 1.547 4.326 1 U 7.88e+05 0 e 0 183 161 0 134 1.546 4.223 1 U 1.14e+06 0 e 0 178 174 0 135 8.221 7.971 1 U 1.44e+06 0 e 0 86 68 0 136 2.287 8.227 1 U 2.17e+06 0 e 0 79 86 0 137 2.173 8.227 1 U 1.81e+06 0 e 0 80 86 0 138 2.171 8.072 1 U 3.56e+06 0 e 0 80 77 0 139 2.287 8.072 1 U 5.11e+06 0 e 0 79 77 0 140 2.223 8.039 1 U 5.79e+06 0 e 0 98 96 0 141 3.657 8.039 1 U 6.69e+06 0 e 0 97 96 0 142 3.657 8.017 1 U 2.67e+06 0 e 0 200 191 0 143 3.658 7.841 1 U 1.75e+06 0 e 0 97 102 0 144 3.472 7.988 1 U 5.29e+06 0 e 0 162 160 0 145 3.467 8.200 1 U 2.87e+06 0 e 0 162 165 0 146 3.949 8.038 1 U 7.28e+07 0 e 0 154 181 0 147 3.733 8.065 1 U 2.45e+06 0 e 0 115 138 0 148 4.477 8.066 1 U 1.44e+04 0 e 0 132 138 0 149 8.475 8.043 1 U 3.44e+06 0 e 0 173 181 0 150 0.990 8.038 1 U 1.85e+06 0 e 0 100 96 0 151 1.126 8.038 1 U 6.53e+06 0 e 0 99 96 0 152 0.989 7.842 1 U 1.17e+06 0 e 0 100 102 0 153 1.125 7.842 1 U 1.34e+06 0 e 0 99 102 0 154 1.588 8.038 1 U 6.01e+06 0 e 0 93 96 0 155 1.546 8.038 1 U 3.75e+06 0 e 0 178 181 0 156 4.057 8.038 1 U 2.69e+06 0 e 0 78 96 0 157 4.329 8.037 1 U 1.25e+06 0 e 0 161 181 0 158 4.221 8.038 1 U 4.47e+06 0 e 0 174 181 0 159 1.967 7.842 1 U 5.19e+06 0 e 0 105 102 0 160 2.059 7.843 1 U 5.25e+06 0 e 0 104 102 0 161 1.478 7.841 1 U 3.54e+05 0 e 0 111 102 0 162 4.058 7.761 1 U 2.45e+06 0 e 0 21 40 0 163 4.056 8.223 1 U 1.87e+06 0 e 0 103 114 0 164 4.060 7.574 1 U 2.39e+06 0 e 0 21 28 0 165 4.059 7.484 1 U 6.68e+05 0 e 0 21 33 0 166 4.061 2.966 1 U 2.46e+06 0 e 0 103 133 0 167 3.731 8.247 1 U 3.56e+06 0 e 0 41 48 0 168 3.653 8.217 1 U 3.15e+05 0 e 0 97 114 0 169 4.135 7.976 1 U 5.14e+05 0 e 0 63 68 0 170 4.521 8.063 1 U 1.63e+05 0 e 0 139 138 0 171 4.473 8.043 1 U 1.98e+05 0 e 0 182 181 0 172 4.517 7.984 1 U 7.38e+03 0 e 0 139 160 0 173 8.561 8.064 1 U 5.6e+05 0 e 0 124 138 0 174 8.452 8.063 1 U 5.79e+06 0 e 0 131 138 0 175 7.373 8.067 1 U 2.01e+05 0 e 0 143 138 0 176 4.184 7.791 1 U 1.27e+05 0 e 0 166 184 0 177 1.587 8.015 1 U 8.63e+06 0 e 0 93 91 0 178 4.036 8.038 1 U 2.2e+06 0 e 0 92 96 0 179 4.096 8.011 1 U 4.28e+06 0 e 0 188 191 0 180 4.036 8.016 1 U 4.69e+06 0 e 0 92 91 0 181 8.219 8.040 1 U 1.16e+06 0 e 0 114 96 0 182 8.013 8.228 1 U 4.03e+06 0 e 0 91 86 0 183 3.999 8.015 1 U 3.34e+05 0 e 0 67 91 0 184 3.932 8.011 1 U 3.14e+07 0 e 0 189 191 0 185 3.770 8.015 1 U 6.51e+05 0 e 0 199 191 0 186 3.272 8.015 1 U 4.78e+06 0 e 0 88 91 0 187 3.185 7.988 1 U 4.11e+06 0 e 0 163 160 0 188 4.347 8.015 1 U 7.25e+04 0 e 0 87 91 0 189 4.185 8.479 1 U 4.53e+05 0 e 0 166 173 0 190 4.035 8.563 1 U 1.03e+06 0 e 0 92 124 0 191 3.997 8.070 1 U 5.49e+05 0 e 0 67 77 0 192 3.731 7.842 1 U 7.23e+05 0 e 0 115 102 0 193 4.185 8.313 1 U 9.72e+04 0 e 0 166 187 0 194 2.009 8.395 1 U 9.56e+06 0 e 0 155 153 0 195 1.842 8.394 1 U 5.52e+06 0 e 0 148 153 0 196 1.673 8.395 1 U 1.75e+06 0 e 0 157 153 0 197 1.990 8.476 1 U 9.29e+06 0 e 0 168 173 0 198 1.920 8.477 1 U 7.24e+05 0 e 0 147 145 0 199 1.945 8.247 1 U 6.58e+06 0 e 0 50 48 0 200 1.486 8.244 1 U 1.44e+07 0 e 0 54 48 0 201 8.061 8.396 1 U 6.35e+05 0 e 0 138 153 0 202 8.198 8.397 1 U 2.69e+05 0 e 0 165 153 0 203 8.709 8.185 1 U 2.46e+06 0 e 0 14 20 0 204 8.038 8.223 1 U 1.04e+06 0 e 0 96 114 0 205 8.040 8.314 1 U 9.36e+05 0 e 0 181 187 0 206 8.476 8.063 1 U 4.11e+06 0 e 0 145 138 0 207 8.313 8.041 1 U 8.49e+05 0 e 0 187 181 0 208 0.907 8.042 1 U 8.94e+05 0 e 0 177 181 0 209 7.842 8.015 1 U 2.71e+05 0 e 0 102 91 0 210 1.667 8.246 1 U 3.6e+06 0 e 0 53 48 0 211 1.687 4.061 1 U 3.83e+06 0 e 0 22 21 0 212 1.664 4.083 1 U 1.38e+06 0 e 0 53 49 0 213 2.831 8.065 1 U 5.27e+06 0 e 0 141 138 0 214 2.760 8.064 1 U 1.35e+06 0 e 0 134 138 0 215 2.972 8.065 1 U 1.88e+06 0 e 0 133 138 0 216 3.053 8.065 1 U 7.94e+06 0 e 0 140 138 0 217 3.074 8.185 1 U 1.59e+06 0 e 0 17 20 0 218 3.189 8.200 1 U 2.95e+06 0 e 0 163 165 0 219 1.588 8.224 1 U 1.29e+06 0 e 0 93 86 0 220 2.003 8.073 1 U 4.71e+06 0 e 0 70 77 0 221 2.453 8.071 1 U 1.95e+06 0 e 0 82 77 0 222 2.606 8.070 1 U 1.34e+07 0 e 0 81 77 0 223 3.732 7.762 1 U 5.31e+06 0 e 0 41 40 0 224 4.360 7.576 1 U 1.04e+06 0 e 0 29 28 0 225 4.189 8.040 1 U 2.22e+05 0 e 0 166 181 0 226 6.789 8.066 1 U 1.18e+05 0 e 0 142 138 0 227 7.482 8.187 1 U 7.23e+05 0 e 0 33 20 0 228 7.569 8.248 1 U 2.21e+05 0 e 0 28 48 0 229 1.847 8.480 1 U 1.14e+07 0 e 0 148 145 0 230 8.243 7.483 1 U 5.74e+05 0 e 0 48 33 0 231 8.244 7.571 1 U 2.81e+05 0 e 0 48 28 0 232 8.217 8.255 1 U 1.02e+07 0 e 0 61 66 0 233 1.764 7.970 1 U 1.29e+06 0 e 0 71 68 0 234 2.008 7.971 1 U 1.63e+07 0 e 0 70 68 0 235 3.936 7.792 1 U 1.44e+07 0 e 0 186 184 0 236 4.328 7.988 1 U 8.19e+05 0 e 0 161 160 0 237 8.559 7.843 1 U 5.55e+05 0 e 0 124 102 0 238 8.449 7.761 1 U 2.65e+05 0 e 0 56 40 0 239 8.456 7.841 1 U 3.54e+05 0 e 0 131 102 0 240 8.396 8.063 1 U 2.26e+05 0 e 0 153 138 0 241 2.840 7.376 1 U 5.05e+05 0 e 0 141 143 0 242 3.054 7.374 1 U 1.3e+06 0 e 0 140 143 0 243 2.881 7.482 1 U 5.95e+05 0 e 0 30 33 0 244 2.778 7.481 1 U 2.36e+06 0 e 0 31 33 0 245 2.879 7.573 1 U 1.51e+06 0 e 0 30 28 0 246 2.775 7.572 1 U 1.44e+07 0 e 0 31 28 0 247 3.733 7.482 1 U 5.79e+06 0 e 0 41 33 0 248 2.066 7.482 1 U 7.55e+06 0 e 0 35 33 0 249 1.681 7.483 1 U 3.68e+06 0 e 0 22 33 0 250 1.252 7.481 1 U 2.34e+05 0 e 0 37 33 0 251 1.846 8.208 1 U 1.11e+06 0 e 0 148 165 0 252 1.846 7.988 1 U 2.44e+05 0 e 0 148 160 0 253 1.846 4.136 1 U 1.9e+07 0 e 0 148 146 0 254 1.923 4.133 1 U 2.72e+06 0 e 0 126 125 0 255 2.007 4.199 1 U 1.11e+07 0 e 0 70 69 0 256 1.784 4.136 1 U 1.49e+06 0 e 0 151 146 0 257 1.586 4.198 1 U 2.83e+06 0 e 0 93 69 0 258 1.681 3.835 1 U 3.06e+06 0 e 0 22 34 0 259 1.258 3.833 1 U 7.34e+05 0 e 0 37 34 0 260 1.293 4.138 1 U 7.81e+06 0 e 0 64 63 0 261 3.733 8.478 1 U 6.32e+05 0 e 0 115 145 0 262 1.781 8.478 1 U 2.44e+06 0 e 0 151 145 0 263 0.948 8.477 1 U 7.95e+05 0 e 0 149 173 0 264 0.906 8.478 1 U 3.64e+06 0 e 0 177 173 0 265 2.606 8.230 1 U 1.08e+04 0 e 0 81 86 0 266 2.459 8.226 1 U 5.39e+05 0 e 0 82 86 0 267 3.241 8.187 1 U 1.56e+06 0 e 0 16 20 0 268 3.271 8.071 1 U 5.86e+05 0 e 0 88 77 0 269 2.097 8.199 1 U 2.24e+06 0 e 0 167 165 0 270 1.733 8.244 1 U 1.14e+06 0 e 0 51 48 0 271 1.686 8.188 1 U 5.53e+06 0 e 0 22 20 0 272 1.635 8.188 1 U 4.09e+06 0 e 0 26 20 0 273 0.913 8.398 1 U 7.08e+05 0 e 0 150 153 0 274 0.917 8.452 1 U 2.01e+06 0 e 0 38 56 0 275 8.473 7.987 1 U 1.83e+06 0 e 0 173 160 0 276 2.220 7.843 1 U 3.92e+06 0 e 0 98 102 0 277 3.838 7.761 1 U 1.4e+06 0 e 0 34 40 0 278 8.041 8.478 1 U 4.06e+06 0 e 0 181 173 0 279 4.199 8.072 1 U 7.49e+05 0 e 0 69 77 0 280 4.047 8.223 1 U 4.13e+06 0 e 0 78 86 0 281 4.131 8.397 1 U 1.63e+06 0 e 0 146 153 0 282 3.944 7.986 1 U 1.35e+06 0 e 0 154 160 0 283 4.332 8.200 1 U -1.44e+05 0 e 0 161 165 0 284 3.836 2.935 1 U 4.99e+07 0 e 0 34 59 0 285 3.837 3.063 1 U 6.09e+06 0 e 0 34 58 0 286 3.733 3.067 1 U 4.31e+07 0 e 0 41 58 0 287 3.733 3.041 1 U 6.81e+06 0 e 0 115 140 0 288 3.837 3.086 1 U 3.17e+05 0 e 0 34 58 0 289 3.185 3.470 1 U 3.32e+07 0 e 0 163 162 0 290 3.373 3.471 1 U 9.8e+04 0 e 0 193 162 0 291 3.052 3.732 1 U 1.12e+07 0 e 0 140 115 0 292 3.080 3.834 1 U 8.24e+06 0 e 0 58 34 0 293 2.935 3.834 1 U 2.04e+07 0 e 0 59 34 0 294 2.828 3.731 1 U 9.4e+06 0 e 0 141 115 0 295 2.957 3.660 1 U 1.46e+06 0 e 0 194 200 0 296 2.772 4.060 1 U 6e+06 0 e 0 134 103 0 297 2.605 4.055 1 U 1.25e+06 0 e 0 81 78 0 298 2.460 4.057 1 U 1.68e+05 0 e 0 82 78 0 299 2.289 4.058 1 U 5.8e+06 0 e 0 79 78 0 300 2.289 4.137 1 U 2.18e+06 0 e 0 79 63 0 301 2.170 4.136 1 U 1.87e+06 0 e 0 80 63 0 302 2.172 4.057 1 U 5.49e+06 0 e 0 80 78 0 303 2.221 4.056 1 U 4.95e+06 0 e 0 98 78 0 304 2.063 4.057 1 U 9.21e+06 0 e 0 104 78 0 305 1.966 4.061 1 U 1.25e+07 0 e 0 105 103 0 306 1.979 4.032 1 U 5.97e+06 0 e 0 116 92 0 307 1.938 4.086 1 U 5.49e+06 0 e 0 50 49 0 308 1.997 4.133 1 U 2.62e+06 0 e 0 155 125 0 309 2.090 4.134 1 U 1.4e+06 0 e 0 167 146 0 310 2.091 4.181 1 U 3.9e+06 0 e 0 167 166 0 311 1.896 4.225 1 U 4.79e+06 0 e 0 175 174 0 312 2.224 3.658 1 U 6.72e+06 0 e 0 98 97 0 313 2.323 3.624 1 U 2.79e+06 0 e 0 197 207 0 314 2.066 3.834 1 U 9.52e+06 0 e 0 35 34 0 315 1.977 3.730 1 U 1.29e+07 0 e 0 116 115 0 316 1.926 3.655 1 U 4.03e+06 0 e 0 126 97 0 317 2.061 3.665 1 U 7.63e+06 0 e 0 198 200 0 318 1.586 3.657 1 U 2.95e+06 0 e 0 128 97 0 319 1.482 3.729 1 U 5.19e+06 0 e 0 44 41 0 320 1.584 4.036 1 U 1.03e+07 0 e 0 93 92 0 321 1.587 4.133 1 U 6.03e+06 0 e 0 128 125 0 322 1.521 4.194 1 U 6.27e+06 0 e 0 75 69 0 323 1.475 4.061 1 U 3.58e+06 0 e 0 44 21 0 324 1.646 4.191 1 U 1.59e+06 0 e 0 74 69 0 325 1.715 4.187 1 U 6.16e+05 0 e 0 169 166 0 326 1.687 7.574 1 U 1.33e+06 0 e 0 22 28 0 327 1.569 7.574 1 U 8.84e+05 0 e 0 23 28 0 328 1.718 7.840 1 U 2.65e+06 0 e 0 106 102 0 329 1.589 7.841 1 U 3.78e+05 0 e 0 93 102 0 330 1.659 7.973 1 U 1.37e+06 0 e 0 74 68 0 331 1.718 8.211 1 U 1.4e+06 0 e 0 106 114 0 332 3.937 8.186 1 U 9.24e+04 0 e 0 12 20 0 333 4.106 8.184 1 U 7.24e+05 0 e 0 11 20 0 334 3.921 7.576 1 U 3.55e+04 0 e 0 12 28 0 335 4.421 7.485 1 U 9.81e+04 0 e 0 15 33 0 336 4.356 7.485 1 U 3.64e+04 0 e 0 29 33 0 337 8.709 7.575 1 U 3.01e+05 0 e 0 14 28 0 338 8.710 7.482 1 U 4.1e+05 0 e 0 14 33 0 339 8.063 7.377 1 U 3.09e+05 0 e 0 138 143 0 340 1.972 7.577 1 U 4.1e+05 0 e 0 42 28 0 341 2.065 7.575 1 U 9.54e+06 0 e 0 35 28 0 342 1.570 8.185 1 U 2.26e+06 0 e 0 23 20 0 343 1.633 7.575 1 U 2.45e+05 0 e 0 26 28 0 344 0.970 8.186 1 U 2e+06 0 e 0 24 20 0 345 0.920 8.186 1 U 9.73e+05 0 e 0 25 20 0 346 1.258 7.761 1 U 6.14e+04 0 e 0 37 40 0 347 1.117 7.762 1 U 2.54e+06 0 e 0 45 40 0 348 1.968 8.247 1 U 6.93e+06 0 e 0 42 48 0 349 1.842 8.064 1 U 7.05e+05 0 e 0 148 138 0 350 1.484 7.764 1 U 3.29e+06 0 e 0 44 40 0 351 1.124 8.246 1 U 4.09e+04 0 e 0 45 48 0 352 0.809 7.761 1 U 3.52e+05 0 e 0 43 40 0 353 0.810 8.245 1 U 2.82e+05 0 e 0 43 48 0 354 0.894 8.247 1 U 1.53e+06 0 e 0 46 48 0 355 0.889 8.218 1 U 1.54e+06 0 e 0 120 114 0 356 1.486 4.083 1 U 9.74e+05 0 e 0 54 49 0 357 1.732 4.086 1 U 8.53e+04 0 e 0 51 49 0 358 1.517 7.974 1 U 1.43e+06 0 e 0 75 68 0 359 1.676 7.841 1 U 1.24e+06 0 e 0 107 102 0 360 1.455 7.841 1 U 3.54e+05 0 e 0 112 102 0 361 0.888 3.730 1 U 2.26e+07 0 e 0 120 115 0 362 0.726 3.730 1 U 3.17e+06 0 e 0 117 115 0 363 1.510 3.730 1 U 1.02e+07 0 e 0 118 115 0 364 0.725 4.034 1 U 1.85e+06 0 e 0 117 92 0 365 0.948 4.135 1 U 3.12e+06 0 e 0 149 146 0 366 0.915 4.132 1 U 1.23e+07 0 e 0 150 146 0 367 1.454 8.394 1 U 2.61e+05 0 e 0 159 153 0 368 1.722 8.478 1 U 0 0 e 0 156 173 0 369 1.761 4.203 1 U 5.04e+05 0 e 0 71 69 0 370 8.312 4.326 1 U 4.07e+05 0 e 0 187 161 0 371 8.223 4.351 1 U 1.38e+06 0 e 0 61 62 0 372 8.395 4.134 1 U 1.65e+06 0 e 0 153 146 0 373 8.200 4.185 1 U 2.77e+06 0 e 0 165 166 0 374 8.258 8.073 1 U 2.72e+05 0 e 0 66 77 0 375 0.724 8.218 1 U 6.46e+05 0 e 0 117 114 0 376 3.838 7.571 1 U 3.36e+05 0 e 0 34 28 0 377 7.571 7.482 1 U 5.17e+06 0 e 0 28 33 0 378 7.570 7.765 1 U 4.48e+05 0 e 0 28 40 0 379 7.760 7.484 1 U 4.6e+06 0 e 0 40 33 0 380 7.763 7.573 1 U 5.52e+05 0 e 0 40 28 0 381 8.183 7.482 1 U 9.54e+05 0 e 0 20 33 0 382 1.294 3.997 1 U 7.83e+05 0 e 0 64 67 0 383 1.125 4.057 1 U 3.63e+06 0 e 0 99 78 0 384 1.125 4.199 1 U 1.86e+05 0 e 0 99 69 0 385 1.068 4.033 1 U 4.43e+05 0 e 0 119 92 0 386 0.808 4.056 1 U 6.81e+05 0 e 0 43 21 0 387 0.902 4.224 1 U 9.3e+06 0 e 0 177 174 0 388 0.888 4.128 1 U 1.4e+05 0 e 0 120 146 0 389 0.892 4.056 1 U 2.64e+06 0 e 0 46 21 0 390 0.920 4.058 1 U 2.89e+06 0 e 0 25 21 0 391 0.985 4.057 1 U 3.48e+06 0 e 0 100 78 0 392 0.919 3.833 1 U 1.03e+07 0 e 0 38 34 0 393 3.277 3.997 1 U 4.6e+06 0 e 0 88 67 0 394 3.925 4.108 1 U 4.74e+06 0 e 0 12 11 0 395 4.200 4.001 1 U 1.42e+05 0 e 0 69 67 0 396 0.809 3.732 1 U 1.9e+06 0 e 0 43 41 0 397 0.919 3.657 1 U 3.92e+06 0 e 0 127 97 0 398 0.989 3.656 1 U 7.48e+06 0 e 0 100 97 0 399 1.096 3.731 1 U 2.62e+07 0 e 0 45 41 0 400 1.123 3.658 1 U 1.36e+07 0 e 0 99 97 0 401 1.293 3.732 1 U 1.9e+06 0 e 0 64 41 0 402 1.842 3.735 1 U 4.05e+05 0 e 0 148 115 0 403 3.489 3.607 1 U 4.45e+06 0 e 0 162 207 0 404 3.644 3.767 1 U 7.98e+07 0 e 0 200 199 0 405 3.835 8.246 1 U 5.76e+05 0 e 0 34 48 0 406 8.476 4.224 1 U 3.29e+06 0 e 0 173 174 0 407 8.452 3.658 1 U 2.16e+06 0 e 0 131 97 0 408 8.312 4.083 1 U 5.85e+06 0 e 0 187 188 0 409 8.255 4.000 1 U 1.29e+07 0 e 0 66 67 0 410 8.223 3.998 1 U 1.47e+06 0 e 0 86 67 0 411 8.186 4.064 1 U 5.45e+06 0 e 0 20 21 0 412 8.245 4.087 1 U 4.8e+06 0 e 0 48 49 0 413 8.220 4.043 1 U 1.35e+07 0 e 0 114 92 0 414 8.216 4.133 1 U 5.34e+06 0 e 0 61 63 0 415 8.253 4.137 1 U 1.67e+06 0 e 0 66 63 0 416 8.245 3.732 1 U 2.93e+06 0 e 0 48 41 0 417 8.215 3.732 1 U 8.53e+06 0 e 0 114 115 0 418 8.198 3.467 1 U 1.75e+06 0 e 0 165 162 0 419 8.216 2.949 1 U 8.37e+05 0 e 0 61 59 0 420 4.602 8.068 1 U 8.61e+03 0 e 0 57 77 0 421 8.254 4.352 1 U 4.58e+05 0 e 0 66 62 0 422 7.971 4.084 1 U 1.46e+06 0 e 0 68 49 0 423 7.975 4.136 1 U 4.37e+05 0 e 0 68 63 0 424 4.134 3.998 1 U 1.9e+05 0 e 0 63 67 0 425 1.967 7.484 1 U 6.29e+05 0 e 0 42 33 0 426 1.495 8.563 1 U 7.13e+05 0 e 0 118 124 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 2 . 14 ppm . . . 0 . . 34649 1 2 . . H 1 H 1 . 14 ppm . . . 0 . . 34649 1 stop_ save_