######################### # 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 35041 _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 1 _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 323 1 4.460 8.780 1 U 0 0 - 0 1 2 0 2 4.301 8.679 1 U 1.44e+07 0 e 0 4 7 0 3 3.895 8.380 1 U 3.27e+07 0 e 0 9 10 0 4 4.673 8.157 1 U 2.06e+06 0 e 0 27 30 0 5 4.596 8.284 1 U 1.02e+07 0 e 0 15 18 0 6 4.278 8.214 1 U -3.79e+05 0 e 0 23 26 0 7 4.180 8.142 1 U -5.24e+07 0 e 0 79 80 0 8 4.550 8.118 1 U 3e+07 0 e 0 55 58 0 9 4.220 7.997 1 U -2.58e+09 0 e 0 19 21 0 10 4.241 7.948 1 U -2.47e+05 0 e 0 11 13 0 11 4.313 7.992 1 U 3.1e+08 0 e 0 59 60 0 12 4.131 8.017 1 U -2.01e+09 0 e 0 35 38 0 13 4.109 7.567 1 U 0 0 - 0 115 117 0 14 2.507 7.914 1 U 6.3e+06 0 e 0 110 109 0 15 2.136 8.056 1 U 7.18e+06 0 e 0 96 94 0 16 4.260 7.797 1 U 6.41e+06 0 e 0 45 48 0 17 4.034 7.881 1 U 4.55e+08 0 e 0 39 40 0 18 1.745 8.000 1 U 3.07e+06 0 e 0 70 74 0 19 1.543 8.014 1 U 7.29e+07 0 e 0 65 67 0 20 0.751 7.850 1 U 8.34e+07 0 e 0 53 51 0 21 0.694 7.905 1 U 2.63e+05 0 e 0 105 102 0 22 3.782 7.802 1 U 6.52e+06 0 e 0 89 91 0 23 2.238 8.131 1 U 2.34e+05 0 e 0 82 80 0 24 4.516 7.924 1 U 2.4e+07 0 e 0 111 114 0 25 2.990 7.994 1 U 6.91e+07 0 e 0 32 34 0 26 2.944 7.996 1 U -5.89e+07 0 e 0 99 98 0 27 2.900 8.080 1 U 5.22e+07 0 e 0 88 87 0 28 4.578 8.225 1 U 2.21e+07 0 e 0 83 84 0 29 2.322 8.672 1 U 0 0 - 0 8 7 0 30 2.045 8.672 1 U 0 0 - 0 5 7 0 31 1.941 8.674 1 U 0 0 - 0 6 7 0 32 4.321 1.964 1 U 4.83e+06 0 e 0 4 6 0 33 4.327 2.322 1 U 0 0 - 0 4 8 0 34 4.319 2.073 1 U 0 0 - 0 4 5 0 35 2.308 2.084 1 U 6.34e+07 0 e 0 8 5 0 36 2.302 1.966 1 U 1.91e+06 0 e 0 8 6 0 37 4.314 8.386 1 U 5.4e+07 0 e 0 4 10 0 38 4.038 7.952 1 U 9.4e+05 0 e 0 12 13 0 39 1.022 7.955 1 U 3.55e+06 0 e 0 14 13 0 40 4.227 4.035 1 U 2.06e+07 0 e 0 11 12 0 41 4.231 1.028 1 U 1.92e+08 0 e 0 11 14 0 42 4.034 1.029 1 U 2.97e+07 0 e 0 12 14 0 43 3.038 8.286 1 U 3.78e+07 0 e 0 16 18 0 44 2.944 8.285 1 U 9.52e+06 0 e 0 17 18 0 45 4.093 7.993 1 U -1.73e+06 0 e 0 20 21 0 46 4.635 3.053 1 U 7.12e+06 0 e 0 15 16 0 47 4.637 2.938 1 U 1.16e+07 0 e 0 15 17 0 48 3.030 2.918 1 U 5.35e+07 0 e 0 16 17 0 49 4.162 1.086 1 U 1.34e+07 0 e 0 19 22 0 50 4.092 1.083 1 U 4.3e+07 0 e 0 20 22 0 51 4.214 4.127 1 U 7.3e+07 0 e 0 19 20 0 52 1.089 7.991 1 U 9.28e+06 0 e 0 22 21 0 53 3.808 8.215 1 U 9.19e+06 0 e 0 24 26 0 54 3.759 8.208 1 U 1.54e+07 0 e 0 25 26 0 55 4.279 3.788 1 U 2.5e+08 0 e 0 23 24 0 56 4.277 3.752 1 U -1.91e+07 0 e 0 23 25 0 57 3.802 3.732 1 U -7.14e+05 0 e 0 24 25 0 58 2.623 8.170 1 U 2.63e+06 0 e 0 29 30 0 59 2.665 8.168 1 U 3.71e+06 0 e 0 28 30 0 60 4.679 2.635 1 U 5.56e+06 0 e 0 27 29 0 61 4.680 2.658 1 U 7.62e+05 0 e 0 27 28 0 62 4.300 2.923 1 U -2.08e+07 0 e 0 31 33 0 63 4.304 2.981 1 U 6.44e+07 0 e 0 31 32 0 64 4.295 7.979 1 U 2.29e+07 0 e 0 31 34 0 65 2.928 7.994 1 U 9.54e+07 0 e 0 33 34 0 66 2.966 7.803 1 U 4.42e+07 0 e 0 46 48 0 67 2.765 7.800 1 U 2.37e+07 0 e 0 47 48 0 68 4.266 2.947 1 U 2.27e+07 0 e 0 45 46 0 69 4.263 2.759 1 U 1.05e+07 0 e 0 45 47 0 70 2.960 2.760 1 U 1.61e+08 0 e 0 46 47 0 71 1.460 7.845 1 U 2.92e+07 0 e 0 52 51 0 72 1.394 7.864 1 U 4.12e+07 0 e 0 50 51 0 73 0.723 7.922 1 U 5.95e+07 0 e 0 104 102 0 74 3.990 1.406 1 U 3.81e+07 0 e 0 49 52 0 75 3.995 1.374 1 U 5e+07 0 e 0 49 50 0 76 3.991 0.736 1 U 1.8e+08 0 e 0 49 53 0 77 3.993 0.694 1 U -1.74e+06 0 e 0 49 54 0 78 1.448 0.754 1 U 1.52e+08 0 e 0 52 53 0 79 1.450 0.723 1 U 4.04e+05 0 e 0 52 54 0 80 1.399 0.751 1 U 4.72e+07 0 e 0 50 53 0 81 1.397 0.726 1 U -7.25e+07 0 e 0 50 54 0 82 1.597 7.879 1 U 3.13e+07 0 e 0 41 40 0 83 1.523 7.860 1 U 7.73e+07 0 e 0 42 40 0 84 1.157 7.875 1 U 0 0 - 0 44 40 0 85 4.001 2.865 1 U 1.33e+06 0 e 0 39 43 0 86 4.018 1.606 1 U 2.52e+07 0 e 0 39 41 0 87 4.017 1.506 1 U 3.63e+08 0 e 0 39 42 0 88 4.023 1.152 1 U 1.65e+07 0 e 0 39 44 0 89 2.823 1.596 1 U 2.27e+07 0 e 0 43 41 0 90 2.814 1.545 1 U 2.35e+07 0 e 0 43 42 0 91 2.819 1.149 1 U 2.92e+07 0 e 0 43 44 0 92 1.600 1.145 1 U 7.16e+07 0 e 0 41 44 0 93 1.545 1.149 1 U -3.49e+05 0 e 0 42 44 0 94 4.139 3.787 1 U 3.02e+07 0 e 0 35 36 0 95 4.140 3.722 1 U 5.27e+06 0 e 0 35 37 0 96 3.766 3.724 1 U 1.66e+10 0 e 0 36 37 0 97 3.235 7.925 1 U 1.59e+07 0 e 0 112 114 0 98 3.138 7.925 1 U 2.12e+07 0 e 0 113 114 0 99 4.503 3.227 1 U 2.8e+07 0 e 0 111 112 0 100 4.502 3.127 1 U 3.52e+07 0 e 0 111 113 0 101 3.223 3.141 1 U 3.82e+08 0 e 0 112 113 0 102 2.764 8.121 1 U 2.27e+07 0 e 0 57 58 0 103 4.546 2.757 1 U 1.82e+05 0 e 0 55 57 0 104 1.811 0.668 1 U 2.89e+07 0 e 0 90 92 0 105 3.782 0.665 1 U 1.64e+07 0 e 0 89 92 0 106 3.785 1.811 1 U 2.26e+08 0 e 0 89 90 0 107 1.811 7.807 1 U 2.18e+07 0 e 0 90 91 0 108 0.679 7.807 1 U 2.06e+07 0 e 0 92 91 0 109 4.150 8.130 1 U 1.67e+08 0 e 0 76 77 0 110 1.309 8.129 1 U 4.24e+07 0 e 0 78 77 0 111 4.149 1.304 1 U 5.42e+07 0 e 0 76 78 0 112 1.886 8.139 1 U 2.93e+07 0 e 0 81 80 0 113 2.224 1.880 1 U 1.38e+07 0 e 0 82 81 0 114 4.187 2.230 1 U 1.44e+07 0 e 0 79 82 0 115 4.182 1.880 1 U -2.38e+07 0 e 0 79 81 0 116 1.003 7.572 1 U 6.94e+06 0 e 0 118 117 0 117 4.066 7.567 1 U 0 0 - 0 116 117 0 118 4.120 1.043 1 U -8.13e+07 0 e 0 115 118 0 119 4.065 1.023 1 U 1.1e+05 0 e 0 116 118 0 120 4.452 8.674 1 U 9.29e+06 0 e 0 1 7 0 121 4.461 3.793 1 U 0 0 - 0 1 3 0 122 3.798 8.775 1 U 0 0 - 0 3 2 0 123 4.204 7.917 1 U 9.57e+08 0 e 0 106 109 0 124 1.937 7.916 1 U 4.97e+07 0 e 0 107 109 0 125 1.867 7.919 1 U 1.59e+07 0 e 0 108 109 0 126 4.208 2.487 1 U 2.72e+06 0 e 0 106 110 0 127 4.214 1.955 1 U 1.16e+08 0 e 0 106 107 0 128 4.210 1.879 1 U 1.48e+07 0 e 0 106 108 0 129 2.465 1.969 1 U 2.32e+07 0 e 0 110 107 0 130 2.469 1.886 1 U 1.68e+06 0 e 0 110 108 0 131 1.942 1.877 1 U 5.47e+08 0 e 0 107 108 0 132 1.843 8.052 1 U 4.32e+07 0 e 0 95 94 0 133 4.055 8.055 1 U 1.31e+08 0 e 0 93 94 0 134 4.069 2.160 1 U 0 0 - 0 93 96 0 135 4.067 1.867 1 U 2.29e+07 0 e 0 93 95 0 136 2.137 1.867 1 U 2.54e+07 0 e 0 96 95 0 137 3.767 7.999 1 U 1.9e+07 0 e 0 61 60 0 138 4.300 3.793 1 U 2.71e+07 0 e 0 59 61 0 139 1.488 8.026 1 U -2.8e+07 0 e 0 66 67 0 140 1.734 8.023 1 U 7.37e+07 0 e 0 63 67 0 141 1.663 8.028 1 U -2.06e+07 0 e 0 64 67 0 142 1.660 8.007 1 U 7.34e+05 0 e 0 71 74 0 143 1.546 8.008 1 U -2.65e+05 0 e 0 72 74 0 144 1.498 8.000 1 U -1.48e+09 0 e 0 73 74 0 145 4.176 8.147 1 U 3.98e+07 0 e 0 62 67 0 146 4.154 8.007 1 U 1.05e+09 0 e 0 69 74 0 147 4.151 3.002 1 U 7.88e+06 0 e 0 62 68 0 148 4.179 2.990 1 U 1.84e+07 0 e 0 69 75 0 149 4.174 1.737 1 U 8.91e+05 0 e 0 62 63 0 150 4.142 1.738 1 U 3.73e+08 0 e 0 69 70 0 151 4.174 1.647 1 U 1.8e+08 0 e 0 62 64 0 152 4.148 1.642 1 U -9.91e+05 0 e 0 69 71 0 153 4.173 1.524 1 U -1.12e+06 0 e 0 62 65 0 154 4.174 1.490 1 U 1.6e+07 0 e 0 62 66 0 155 4.148 1.521 1 U 1.29e+05 0 e 0 69 72 0 156 4.148 1.488 1 U -1.2e+06 0 e 0 69 73 0 157 3.033 1.740 1 U 3.35e+06 0 e 0 68 63 0 158 3.038 1.636 1 U 6.76e+06 0 e 0 68 64 0 159 3.035 1.509 1 U 2.25e+06 0 e 0 68 72 0 160 3.032 1.473 1 U 3.19e+07 0 e 0 68 66 0 161 2.982 1.743 1 U 2.63e+07 0 e 0 75 70 0 162 2.990 1.627 1 U 1.99e+07 0 e 0 75 71 0 163 2.982 1.508 1 U 1.29e+07 0 e 0 75 72 0 164 2.990 1.467 1 U 1.13e+07 0 e 0 75 73 0 165 1.742 1.646 1 U 2.16e+08 0 e 0 70 71 0 166 1.727 1.638 1 U 2.62e+08 0 e 0 63 64 0 167 1.736 1.526 1 U 5.96e+07 0 e 0 63 65 0 168 1.732 1.479 1 U 4.83e+08 0 e 0 63 66 0 169 1.738 1.522 1 U -1.81e+08 0 e 0 70 72 0 170 1.737 1.493 1 U -1.11e+08 0 e 0 70 73 0 171 1.669 1.524 1 U -4.33e+08 0 e 0 64 65 0 172 1.672 1.484 1 U -9.34e+09 0 e 0 64 66 0 173 1.664 1.504 1 U 1.02e+10 0 e 0 71 72 0 174 1.662 1.476 1 U 3.31e+09 0 e 0 71 73 0 175 3.993 7.847 1 U -2.33e+05 0 e 0 49 51 0 176 1.380 7.906 1 U -4.86e+06 0 e 0 101 102 0 177 1.403 7.900 1 U 3.72e+04 0 e 0 103 102 0 178 1.372 0.716 1 U 5.7e+08 0 e 0 101 104 0 179 1.398 0.718 1 U -4.97e+08 0 e 0 103 104 0 180 4.265 0.710 1 U 4.53e+07 0 e 0 100 104 0 181 4.255 1.313 1 U -1.11e+07 0 e 0 100 101 0 182 4.256 1.299 1 U -2.45e+06 0 e 0 100 103 0 183 0.712 7.851 1 U -2.67e+07 0 e 0 54 51 0 184 2.762 8.228 1 U 2.74e+07 0 e 0 85 84 0 185 4.583 2.759 1 U 1e+08 0 e 0 83 85 0 186 4.399 8.002 1 U -1.48e+05 0 e 0 97 98 0 187 4.361 2.907 1 U 8.63e+07 0 e 0 86 88 0 188 4.357 8.080 1 U 1.83e+07 0 e 0 86 87 0 189 4.378 2.925 1 U -3.27e+06 0 e 0 97 99 0 190 4.259 7.926 1 U -8.65e+08 0 e 0 100 102 0 191 4.163 1.957 1 U 3.1e+05 0 e 0 62 81 0 192 3.715 8.017 1 U 1.43e+05 0 e 0 37 38 0 193 3.908 7.943 1 U 5.74e+08 0 e 0 9 13 0 194 4.229 8.289 1 U 3.18e+07 0 e 0 11 18 0 195 4.030 8.280 1 U 6.53e+06 0 e 0 12 18 0 196 4.599 8.000 1 U 8.45e+07 0 e 0 15 21 0 197 8.290 7.996 1 U 1.17e+07 0 e 0 18 21 0 198 4.223 8.209 1 U 3.1e+06 0 e 0 19 26 0 199 4.117 8.221 1 U 1.34e+06 0 e 0 20 26 0 200 8.232 8.006 1 U 1.84e+07 0 e 0 26 21 0 201 4.262 8.167 1 U 5.22e+07 0 e 0 19 30 0 202 8.196 8.001 1 U 1.21e+07 0 e 0 30 21 0 203 4.209 7.982 1 U -1.23e+07 0 e 0 19 34 0 204 4.217 2.982 1 U -5.23e+07 0 e 0 19 32 0 205 4.216 2.947 1 U 4.13e+05 0 e 0 19 33 0 206 4.275 8.165 1 U -1.72e+07 0 e 0 23 30 0 207 8.214 8.170 1 U 2.46e+09 0 e 0 26 30 0 208 4.271 7.996 1 U 2.41e+05 0 e 0 23 34 0 209 7.999 8.214 1 U 2.29e+07 0 e 0 34 26 0 210 4.278 8.005 1 U 8.53e+07 0 e 0 23 38 0 211 4.270 3.787 1 U 5.98e+07 0 e 0 23 36 0 212 4.276 3.735 1 U 8.04e+04 0 e 0 23 37 0 213 4.275 7.890 1 U -3.36e+08 0 e 0 23 40 0 214 4.730 8.002 1 U 6.19e+06 0 e 0 27 34 0 215 8.177 7.989 1 U 6.94e+05 0 e 0 30 34 0 216 4.726 8.009 1 U 9.86e+06 0 e 0 27 38 0 217 8.180 7.989 1 U 1.05e+05 0 e 0 30 38 0 218 4.732 7.889 1 U 4.34e+08 0 e 0 27 40 0 219 4.741 1.629 1 U 1.38e+08 0 e 0 27 41 0 220 4.309 7.999 1 U -2.9e+09 0 e 0 31 38 0 221 8.036 7.984 1 U 3.8e+09 0 e 0 38 34 0 222 4.315 7.867 1 U 1.91e+08 0 e 0 31 40 0 223 2.993 7.994 1 U -4.21e+07 0 e 0 32 38 0 224 2.925 8.005 1 U 1.6e+07 0 e 0 33 38 0 225 7.970 7.873 1 U 4.69e+09 0 e 0 34 40 0 226 4.299 7.800 1 U -1.04e+07 0 e 0 31 48 0 227 4.306 2.942 1 U 1.84e+07 0 e 0 31 46 0 228 4.302 2.757 1 U 3e+06 0 e 0 31 47 0 229 4.305 7.863 1 U -2.35e+08 0 e 0 31 51 0 230 4.141 7.865 1 U 7.98e+08 0 e 0 35 40 0 231 3.781 7.871 1 U 1.31e+06 0 e 0 36 40 0 232 7.815 8.005 1 U 5.99e+06 0 e 0 40 38 0 233 4.145 7.865 1 U -1.51e+07 0 e 0 35 51 0 234 4.151 1.411 1 U 2.6e+06 0 e 0 35 50 0 235 8.005 7.804 1 U 6.13e+06 0 e 0 38 48 0 236 4.027 7.804 1 U 2.07e+07 0 e 0 39 48 0 237 7.852 7.807 1 U 1.19e+09 0 e 0 40 48 0 238 1.610 7.804 1 U 4.37e+06 0 e 0 41 48 0 239 4.011 7.845 1 U -7.31e+05 0 e 0 39 51 0 240 7.885 7.853 1 U 4.69e+09 0 e 0 40 51 0 241 4.023 8.115 1 U 1.29e+07 0 e 0 39 58 0 242 4.541 2.866 1 U 1.86e+07 0 e 0 55 56 0 243 4.024 2.862 1 U 4.7e+07 0 e 0 39 56 0 244 2.842 8.131 1 U 2.05e+05 0 e 0 56 58 0 245 4.037 7.992 1 U -3.44e+03 0 e 0 39 60 0 246 4.155 8.116 1 U -2.71e+07 0 e 0 35 58 0 247 2.943 7.837 1 U 1.46e+07 0 e 0 46 51 0 248 2.752 7.850 1 U 2.04e+06 0 e 0 47 51 0 249 4.247 7.859 1 U 6.94e+07 0 e 0 45 51 0 250 7.801 7.853 1 U 4.69e+09 0 e 0 48 51 0 251 8.091 7.793 1 U 2.98e+06 0 e 0 58 48 0 252 4.267 7.999 1 U 5.39e+09 0 e 0 45 60 0 253 4.260 3.789 1 U -2.31e+08 0 e 0 45 61 0 254 4.264 8.016 1 U 8.28e+07 0 e 0 45 67 0 255 1.440 8.121 1 U 1.02e+08 0 e 0 52 58 0 256 3.993 8.121 1 U 2.33e+07 0 e 0 49 58 0 257 7.849 8.121 1 U 3.28e+07 0 e 0 51 58 0 258 7.958 7.859 1 U 4.69e+09 0 e 0 60 51 0 259 3.993 1.723 1 U 4.58e+07 0 e 0 49 63 0 260 4.000 1.638 1 U 1.41e+07 0 e 0 49 64 0 261 4.000 8.031 1 U 1.2e+07 0 e 0 49 67 0 262 3.997 8.050 1 U -2e+08 0 e 0 49 74 0 263 2.742 7.996 1 U 3.76e+06 0 e 0 57 60 0 264 2.849 7.988 1 U -1.34e+06 0 e 0 56 60 0 265 4.540 7.994 1 U 5.25e+06 0 e 0 55 60 0 266 8.106 8.005 1 U 3.8e+09 0 e 0 58 60 0 267 4.557 8.016 1 U 7.89e+05 0 e 0 55 74 0 268 8.113 8.024 1 U 3.8e+09 0 e 0 58 67 0 269 4.549 8.132 1 U 2.71e+06 0 e 0 55 77 0 270 4.546 1.514 1 U -3.91e+04 0 e 0 55 72 0 271 4.549 1.477 1 U 1.96e+08 0 e 0 55 73 0 272 4.294 8.016 1 U -1.39e+07 0 e 0 59 67 0 273 3.775 8.039 1 U 1.08e+08 0 e 0 61 67 0 274 8.024 8.028 1 U 3.8e+09 0 e 0 67 60 0 275 8.028 8.028 1 U 3.8e+09 0 e 0 74 60 0 276 4.294 8.138 1 U -4.4e+07 0 e 0 59 77 0 277 4.301 1.309 1 U 3.56e+07 0 e 0 59 78 0 278 4.296 8.138 1 U 5.93e+07 0 e 0 59 80 0 279 1.663 8.000 1 U -4.06e+06 0 e 0 64 74 0 280 1.750 7.999 1 U 535 0 e 0 63 74 0 281 4.146 8.024 1 U 2.46e+08 0 e 0 62 74 0 282 8.024 8.029 1 U 3.8e+09 0 e 0 74 67 0 283 8.060 8.120 1 U 2.46e+09 0 e 0 67 77 0 284 4.148 1.875 1 U 1.78e+07 0 e 0 62 81 0 285 4.148 8.232 1 U 2.63e+07 0 e 0 62 84 0 286 4.186 8.130 1 U 1.45e+07 0 e 0 69 77 0 287 1.732 8.131 1 U 1.92e+08 0 e 0 70 77 0 288 1.648 8.127 1 U -2.29e+06 0 e 0 71 77 0 289 8.041 8.128 1 U 2.46e+09 0 e 0 74 77 0 290 8.050 8.141 1 U 2.46e+09 0 e 0 74 80 0 291 4.185 8.229 1 U 1.43e+07 0 e 0 69 84 0 292 4.179 2.754 1 U 1.48e+06 0 e 0 69 85 0 293 1.307 8.144 1 U 1.08e+06 0 e 0 78 80 0 294 4.144 8.138 1 U -1.06e+07 0 e 0 76 80 0 295 8.135 8.140 1 U 2.46e+09 0 e 0 80 77 0 296 4.146 8.229 1 U -8.59e+06 0 e 0 76 84 0 297 8.134 8.227 1 U 1.15e+09 0 e 0 77 84 0 298 1.896 8.230 1 U 1.18e+07 0 e 0 81 84 0 299 4.187 8.211 1 U 5.1e+07 0 e 0 79 84 0 300 8.232 8.142 1 U 2.46e+09 0 e 0 84 80 0 301 2.752 8.077 1 U 1.27e+07 0 e 0 85 87 0 302 4.584 8.083 1 U 1.44e+07 0 e 0 83 87 0 303 2.911 7.809 1 U 1.12e+04 0 e 0 88 91 0 304 4.366 7.806 1 U 8.06e+07 0 e 0 86 91 0 305 7.802 7.989 1 U 3.9e+06 0 e 0 91 87 0 306 4.579 7.798 1 U 2.58e+06 0 e 0 83 91 0 307 1.802 8.055 1 U -1.29e+07 0 e 0 90 94 0 308 3.780 8.043 1 U 4.02e+07 0 e 0 89 94 0 309 8.063 7.802 1 U 1.73e+06 0 e 0 94 91 0 310 1.826 8.001 1 U -1.43e+06 0 e 0 95 98 0 311 8.273 8.080 1 U 2.46e+09 0 e 0 84 87 0 312 3.106 8.843 1 U 5.65e+06 0 e 0 0 0 0 313 4.067 7.986 1 U 1.55e+07 0 e 0 93 98 0 314 8.053 7.988 1 U 3.8e+09 0 e 0 94 98 0 315 4.379 7.887 1 U 4.53e+08 0 e 0 97 102 0 316 7.994 7.911 1 U 4.69e+09 0 e 0 98 102 0 317 1.395 7.896 1 U 7.87e+06 0 e 0 103 109 0 318 4.265 7.921 1 U 2.68e+08 0 e 0 100 109 0 319 7.911 7.916 1 U 4.69e+09 0 e 0 102 109 0 320 1.937 7.916 1 U -4.7e+07 0 e 0 107 114 0 321 1.867 7.915 1 U -2.07e+06 0 e 0 108 114 0 322 4.209 7.917 1 U -1.47e+06 0 e 0 106 114 0 323 7.909 7.917 1 U 4.69e+09 0 e 0 109 114 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 . 'not observed' 6132.234 Hz . . . 4.76 . . 35041 1 2 . . H 1 H . aliased 6132.234 Hz . . . 4.76 . . 35041 1 stop_ save_