######################### # 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 30411 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 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 353 # FORMAT cyana3D # INAME 1 H # INAME 2 h # CYANAFORMAT Hh 1 5.495 8.952 1 U 3.36e+06 0 e 0 101 159 0 2 5.245 8.726 1 U 3.51e+06 0 e 0 111 161 0 3 5.227 9.270 1 U 3.21e+06 0 e 0 77 154 0 4 5.152 9.206 1 U 4.5e+06 0 e 0 64 150 0 5 5.128 9.087 1 U 4.22e+06 0 e 0 11 137 0 6 5.093 8.876 1 U 9.82e+05 0 e 0 27 141 0 7 4.943 8.952 1 U 1.06e+06 0 e 0 107 159 0 8 4.787 9.271 1 U 9.29e+05 0 e 0 84 154 0 9 4.786 9.213 1 U 5.58e+06 0 e 0 68 150 0 10 4.672 8.952 1 U 7.38e+05 0 e 0 33 159 0 11 4.650 9.206 1 U 1.41e+06 0 e 0 90 155 0 12 4.641 9.054 1 U 5.17e+06 0 e 0 3 137 0 13 4.433 9.271 1 U 2.7e+05 0 e 0 119 154 0 14 4.434 8.726 1 U 1.16e+06 0 e 0 119 161 0 15 4.379 8.834 1 U 4.69e+06 0 e 0 72 152 0 16 4.340 9.144 1 U 3.68e+06 0 e 0 74 164 0 17 4.220 8.834 1 U 5.55e+06 0 e 0 93 157 0 18 4.045 8.834 1 U 4.16e+06 0 e 0 95 157 0 19 5.496 8.554 1 U 9.6e+05 0 e 0 101 158 0 20 5.496 8.057 1 U 1.53e+06 0 e 0 101 143 0 21 5.353 8.616 1 U 4.56e+06 0 e 0 37 144 0 22 5.353 8.056 1 U 1.06e+06 0 e 0 37 143 0 23 5.245 7.852 1 U 2.28e+06 0 e 0 111 14 0 24 5.230 8.272 1 U 5.28e+05 0 e 0 77 162 0 25 5.227 7.667 1 U 8.35e+05 0 e 0 77 153 0 26 5.123 7.827 1 U 1.34e+06 0 e 0 11 138 0 27 5.093 8.537 1 U 4.22e+06 0 e 0 27 142 0 28 4.887 7.826 1 U 3.79e+06 0 e 0 107 138 0 29 4.786 8.106 1 U 5.16e+06 0 e 0 68 151 0 30 4.704 8.445 1 U 3.79e+05 0 e 0 48 145 0 31 4.688 8.126 1 U 9.05e+05 0 e 0 48 146 0 32 4.673 8.539 1 U 1.51e+06 0 e 0 33 142 0 33 4.673 8.057 1 U 4.14e+06 0 e 0 33 143 0 34 4.652 8.346 1 U 4.18e+06 0 e 0 90 156 0 35 4.628 7.863 1 U 2.59e+06 0 e 0 3 138 0 36 4.604 8.616 1 U 1.82e+06 0 e 0 40 144 0 37 4.600 8.440 1 U 1.99e+06 0 e 0 54 147 0 38 4.492 8.173 1 U 1.92e+06 0 e 0 127 163 0 39 4.441 8.057 1 U 1.31e+06 0 e 0 34 143 0 40 4.440 8.537 1 U 1.59e+06 0 e 0 34 142 0 41 4.434 8.272 1 U 3.78e+06 0 e 0 119 162 0 42 4.383 8.106 1 U 1.08e+06 0 e 0 72 151 0 43 4.329 7.667 1 U 4.59e+05 0 e 0 74 153 0 44 4.299 8.444 1 U 1.34e+06 0 e 0 44 145 0 45 4.221 8.346 1 U 2e+06 0 e 0 93 156 0 46 4.103 8.446 1 U 1.49e+06 0 e 0 45 145 0 47 4.045 8.557 1 U 4.21e+05 0 e 0 95 158 0 48 5.496 7.136 1 U 3.89e+05 0 e 0 101 104 0 49 5.349 7.206 1 U 4.64e+05 0 e 0 37 30 0 50 5.093 7.208 1 U 2.19e+06 0 e 0 27 30 0 51 4.701 7.191 1 U 3.32e+05 0 e 0 48 30 0 52 4.676 7.136 1 U 3.11e+05 0 e 0 33 104 0 53 4.631 7.206 1 U 3.12e+05 0 e 0 3 30 0 54 3.755 8.538 1 U 7.53e+05 0 e 0 29 142 0 55 3.754 7.208 1 U 9.06e+05 0 e 0 29 30 0 56 3.749 8.835 1 U 2e+06 0 e 0 75 152 0 57 3.749 7.668 1 U 4.16e+05 0 e 0 75 153 0 58 3.711 8.874 1 U 1.08e+06 0 e 0 165 141 0 59 3.730 7.136 1 U 3.33e+06 0 e 0 165 104 0 60 3.727 9.144 1 U 3.2e+06 0 e 0 165 164 0 61 3.704 8.952 1 U 1.94e+06 0 e 0 109 159 0 62 3.568 8.875 1 U 1.04e+06 0 e 0 28 141 0 63 3.565 8.537 1 U 1.63e+06 0 e 0 28 142 0 64 3.566 7.863 1 U 1.32e+06 0 e 0 28 138 0 65 3.565 7.207 1 U 1.19e+06 0 e 0 28 30 0 66 3.562 8.803 1 U 7.58e+05 0 e 0 201 157 0 67 3.555 8.952 1 U 4.72e+05 0 e 0 201 159 0 68 3.554 8.616 1 U 4.67e+06 0 e 0 201 144 0 69 3.555 8.444 1 U 8.58e+04 0 e 0 201 147 0 70 3.554 8.057 1 U 9.76e+05 0 e 0 201 143 0 71 3.547 9.056 1 U 6.26e+05 0 e 0 201 149 0 72 3.535 8.108 1 U 5.2e+05 0 e 0 70 151 0 73 3.525 9.210 1 U 2.72e+06 0 e 0 70 150 0 74 3.513 8.346 1 U 2.57e+06 0 e 0 201 156 0 75 3.359 8.616 1 U 5.01e+05 0 e 0 42 144 0 76 3.359 8.449 1 U 1.57e+06 0 e 0 42 145 0 77 3.347 7.192 1 U 6.3e+05 0 e 0 52 30 0 78 3.326 7.667 1 U 3.59e+05 0 e 0 66 153 0 79 3.324 9.056 1 U 9.04e+05 0 e 0 66 149 0 80 3.318 9.206 1 U 1.29e+06 0 e 0 66 155 0 81 3.310 8.617 1 U 3.67e+05 0 e 0 41 144 0 82 3.306 8.449 1 U 2.25e+06 0 e 0 41 145 0 83 3.287 9.086 1 U 9.2e+05 0 e 0 13 137 0 84 3.284 7.356 1 U 5.81e+05 0 e 0 13 192 0 85 3.213 8.952 1 U 1.2e+06 0 e 0 103 159 0 86 3.213 7.608 1 U 1.5e+06 0 e 0 103 200 0 87 3.212 8.554 1 U 4.41e+05 0 e 0 103 158 0 88 3.209 7.137 1 U 1.1e+06 0 e 0 103 104 0 89 3.207 7.357 1 U 6e+05 0 e 0 103 199 0 90 3.193 7.204 1 U 4.94e+05 0 e 0 51 30 0 91 3.184 9.145 1 U 3.7e+05 0 e 0 115 164 0 92 3.181 7.851 1 U 8.44e+05 0 e 0 115 14 0 93 3.127 7.220 1 U 3.98e+05 0 e 0 57 30 0 94 2.984 9.271 1 U 2.2e+05 0 e 0 108 154 0 95 2.983 8.952 1 U 9.88e+05 0 e 0 108 159 0 96 2.984 8.875 1 U 3.48e+05 0 e 0 108 141 0 97 2.971 9.087 1 U 1.44e+06 0 e 0 108 137 0 98 2.972 8.346 1 U 3.94e+05 0 e 0 108 156 0 99 2.950 9.211 1 U 2.41e+06 0 e 0 69 150 0 100 2.947 8.107 1 U 3.48e+05 0 e 0 69 151 0 101 2.909 9.145 1 U 2.23e+05 0 e 0 7 164 0 102 2.908 8.952 1 U 2.12e+06 0 e 0 102 159 0 103 2.909 8.552 1 U 3.87e+05 0 e 0 102 158 0 104 2.908 7.608 1 U 9.03e+05 0 e 0 102 200 0 105 2.908 7.136 1 U 1.3e+06 0 e 0 102 104 0 106 2.907 8.875 1 U 2.36e+05 0 e 0 7 141 0 107 2.899 9.087 1 U 9.25e+05 0 e 0 7 137 0 108 2.899 7.206 1 U 9.43e+05 0 e 0 7 30 0 109 2.899 8.803 1 U 1.21e+06 0 e 0 102 157 0 110 8.130 8.616 1 U 1.21e+06 0 e 0 146 144 0 111 8.106 8.833 1 U 4.59e+05 0 e 0 151 152 0 112 7.853 8.726 1 U 8.43e+05 0 e 0 14 161 0 113 7.669 8.834 1 U 1.65e+06 0 e 0 153 152 0 114 7.209 8.876 1 U 1.29e+06 0 e 0 30 141 0 115 7.208 8.537 1 U 5.44e+05 0 e 0 30 142 0 116 7.138 9.144 1 U 6.52e+05 0 e 0 104 164 0 117 7.137 8.952 1 U 4.05e+05 0 e 0 104 159 0 118 8.347 9.206 1 U 3.35e+05 0 e 0 156 155 0 119 8.559 8.834 1 U 3.87e+05 0 e 0 158 157 0 120 8.273 8.726 1 U 5.13e+05 0 e 0 162 161 0 121 7.208 7.863 1 U 1.22e+06 0 e 0 30 138 0 122 9.083 9.206 1 U 9.33e+05 0 e 0 137 150 0 123 8.954 9.145 1 U 3.71e+05 0 e 0 159 164 0 124 8.877 9.144 1 U 1.01e+06 0 e 0 141 164 0 125 9.272 9.729 1 U 8.73e+05 0 e 0 154 160 0 126 7.209 10.246 1 U 3.94e+06 0 e 0 30 31 0 127 7.137 10.486 1 U 3.9e+06 0 e 0 104 105 0 128 2.713 9.272 1 U 9.66e+04 0 e 0 65 154 0 129 2.709 9.054 1 U 1.96e+06 0 e 0 65 149 0 130 2.608 9.205 1 U 1.66e+06 0 e 0 91 155 0 131 2.607 8.346 1 U 1.18e+06 0 e 0 91 156 0 132 2.457 9.207 1 U 2.48e+05 0 e 0 6 150 0 133 2.458 9.087 1 U 7.33e+05 0 e 0 6 137 0 134 2.459 7.863 1 U 5.93e+05 0 e 0 6 138 0 135 2.457 7.207 1 U 4.72e+05 0 e 0 6 30 0 136 2.420 8.834 1 U 3.02e+05 0 e 0 96 157 0 137 2.417 8.558 1 U 1.17e+06 0 e 0 96 158 0 138 2.398 8.272 1 U 3.71e+05 0 e 0 130 162 0 139 2.312 7.205 1 U 2.49e+05 0 e 0 5 30 0 140 2.311 9.205 1 U 5.54e+05 0 e 0 5 150 0 141 2.230 9.271 1 U 5.74e+05 0 e 0 79 154 0 142 2.233 7.667 1 U 1.17e+06 0 e 0 79 153 0 143 2.229 9.207 1 U 5e+05 0 e 0 79 150 0 144 2.218 9.087 1 U 1.69e+06 0 e 0 4 137 0 145 2.216 7.206 1 U 4.71e+05 0 e 0 4 30 0 146 2.214 7.856 1 U 3.64e+05 0 e 0 4 138 0 147 2.208 8.726 1 U 1.07e+06 0 e 0 113 161 0 148 2.184 8.346 1 U 2.07e+06 0 e 0 197 156 0 149 2.129 8.272 1 U 4.25e+05 0 e 0 129 162 0 150 2.115 8.834 1 U 3.53e+05 0 e 0 129 152 0 151 2.114 8.346 1 U 1.5e+06 0 e 0 198 156 0 152 2.057 8.432 1 U 8.25e+05 0 e 0 56 147 0 153 2.057 8.128 1 U 4.44e+05 0 e 0 56 146 0 154 1.994 8.272 1 U 1.04e+06 0 e 0 128 162 0 155 1.966 8.169 1 U 5.04e+05 0 e 0 133 163 0 156 1.957 8.432 1 U 1.63e+06 0 e 0 55 147 0 157 1.942 8.128 1 U 1.56e+06 0 e 0 50 146 0 158 1.931 8.617 1 U 1.21e+06 0 e 0 50 144 0 159 1.928 7.205 1 U 8.74e+05 0 e 0 50 30 0 160 1.892 8.726 1 U 5.53e+05 0 e 0 112 161 0 161 1.803 9.271 1 U 1.51e+06 0 e 0 85 154 0 162 1.803 9.213 1 U 1.02e+06 0 e 0 85 155 0 163 1.798 8.726 1 U 7.1e+05 0 e 0 121 161 0 164 1.798 8.272 1 U 7.77e+05 0 e 0 121 162 0 165 1.754 8.434 1 U 3.24e+05 0 e 0 49 147 0 166 1.753 8.616 1 U 3.64e+05 0 e 0 49 144 0 167 1.751 7.190 1 U 8.52e+05 0 e 0 49 30 0 168 1.749 8.126 1 U 1.24e+06 0 e 0 49 146 0 169 1.735 8.832 1 U 4.05e+05 0 e 0 97 157 0 170 1.735 8.558 1 U 6.93e+05 0 e 0 97 158 0 171 1.648 8.726 1 U 1.49e+06 0 e 0 120 161 0 172 1.650 8.272 1 U 3.44e+05 0 e 0 120 162 0 173 1.637 7.854 1 U 3.64e+05 0 e 0 120 14 0 174 1.619 8.833 1 U 4.71e+05 0 e 0 99 157 0 175 1.617 8.616 1 U 5.82e+05 0 e 0 59 144 0 176 1.599 8.432 1 U 5.13e+05 0 e 0 59 147 0 177 1.600 7.206 1 U 5.28e+05 0 e 0 59 30 0 178 1.596 9.054 1 U 2.31e+06 0 e 0 59 149 0 179 1.572 9.270 1 U 3.32e+05 0 e 0 87 154 0 180 1.569 7.136 1 U 3.45e+05 0 e 0 166 104 0 181 1.529 8.431 1 U 3.35e+05 0 e 0 58 147 0 182 1.518 7.206 1 U 3.49e+05 0 e 0 58 30 0 183 1.511 8.537 1 U 1.75e+06 0 e 0 172 142 0 184 1.511 8.057 1 U 8.19e+05 0 e 0 172 143 0 185 1.502 7.667 1 U 1.05e+06 0 e 0 82 153 0 186 1.374 7.667 1 U 6.13e+05 0 e 0 78 153 0 187 1.372 9.270 1 U 1.1e+06 0 e 0 78 154 0 188 1.108 8.726 1 U 5.63e+05 0 e 0 124 161 0 189 1.106 7.852 1 U 4.89e+05 0 e 0 124 14 0 190 1.055 8.834 1 U 7.78e+05 0 e 0 98 157 0 191 0.972 9.206 1 U 1.65e+06 0 e 0 80 150 0 192 0.972 9.144 1 U 3.84e+05 0 e 0 80 164 0 193 0.972 7.667 1 U 4.67e+05 0 e 0 80 153 0 194 0.849 9.271 1 U 6.51e+05 0 e 0 81 154 0 195 0.849 9.144 1 U 3.64e+05 0 e 0 81 164 0 196 0.849 8.727 1 U 4.69e+05 0 e 0 81 161 0 197 0.848 8.272 1 U 5.05e+05 0 e 0 81 162 0 198 0.848 7.853 1 U 2.28e+06 0 e 0 81 14 0 199 0.849 7.668 1 U 4.17e+05 0 e 0 81 153 0 200 0.177 7.136 1 U 3.45e+05 0 e 0 170 104 0 201 2.982 9.728 1 U 5.09e+05 0 e 0 108 160 0 202 2.211 9.728 1 U 5.47e+05 0 e 0 113 160 0 203 1.892 9.728 1 U 9.27e+05 0 e 0 112 160 0 204 1.803 9.729 1 U 2.02e+05 0 e 0 85 160 0 205 1.700 9.728 1 U 5.12e+05 0 e 0 117 160 0 206 5.241 9.727 1 U 7.4e+05 0 e 0 111 160 0 207 4.942 9.728 1 U 3.92e+06 0 e 0 107 160 0 208 4.787 9.728 1 U 5.83e+05 0 e 0 84 160 0 209 7.854 11.006 1 U 4.07e+06 0 e 0 14 15 0 210 5.245 11.006 1 U 8.36e+05 0 e 0 111 15 0 211 1.108 11.006 1 U 4.06e+05 0 e 0 124 15 0 212 8.728 11.007 1 U 1.45e+06 0 e 0 161 15 0 213 3.181 6.215 1 U 5.89e+05 0 e 0 115 116 0 214 2.985 6.215 1 U 7.42e+05 0 e 0 114 116 0 215 1.646 6.215 1 U 1.19e+06 0 e 0 120 116 0 216 3.758 5.346 1 U 5.66e+05 0 e 0 29 37 0 217 3.554 5.352 1 U 7.78e+06 0 e 0 201 37 0 218 3.286 5.123 1 U 1.98e+06 0 e 0 13 11 0 219 3.214 5.494 1 U 1.98e+06 0 e 0 103 101 0 220 2.908 5.494 1 U 1.87e+06 0 e 0 102 101 0 221 2.900 5.351 1 U 1.12e+06 0 e 0 7 37 0 222 2.709 5.158 1 U 4.69e+05 0 e 0 65 64 0 223 2.459 5.348 1 U 6.07e+05 0 e 0 6 37 0 224 2.457 5.149 1 U 4.77e+05 0 e 0 6 64 0 225 2.312 5.348 1 U 4.04e+05 0 e 0 5 37 0 226 2.310 5.151 1 U 1.03e+06 0 e 0 5 64 0 227 2.218 5.350 1 U 5.39e+05 0 e 0 4 37 0 228 2.214 5.239 1 U 1.4e+06 0 e 0 79 111 0 229 1.930 5.351 1 U 9.91e+05 0 e 0 50 37 0 230 1.893 5.244 1 U 7.02e+05 0 e 0 112 111 0 231 1.659 5.243 1 U 6.88e+05 0 e 0 120 111 0 232 1.614 5.348 1 U 1.3e+06 0 e 0 59 37 0 233 1.511 5.493 1 U 3.23e+05 0 e 0 172 101 0 234 1.501 5.226 1 U 5.42e+05 0 e 0 82 77 0 235 1.373 5.226 1 U 1.07e+06 0 e 0 78 77 0 236 0.972 5.228 1 U 3.67e+05 0 e 0 80 77 0 237 0.849 5.228 1 U 1.88e+06 0 e 0 81 77 0 238 0.829 5.345 1 U 4.93e+05 0 e 0 81 37 0 239 4.673 5.494 1 U 3.85e+06 0 e 0 33 101 0 240 4.646 5.127 1 U 4.56e+05 0 e 0 3 64 0 241 4.627 5.346 1 U 3.81e+06 0 e 0 3 37 0 242 2.416 4.043 1 U 8.96e+05 0 e 0 96 95 0 243 1.966 4.277 1 U 4.3e+05 0 e 0 133 132 0 244 1.799 4.429 1 U 3.4e+05 0 e 0 121 119 0 245 1.737 4.043 1 U 1.49e+06 0 e 0 97 95 0 246 1.597 4.043 1 U 4.15e+05 0 e 0 99 95 0 247 1.056 4.043 1 U 1.77e+06 0 e 0 98 95 0 248 0.974 4.332 1 U 5.52e+05 0 e 0 80 74 0 249 0.849 4.431 1 U 5.41e+05 0 e 0 81 119 0 250 0.849 4.334 1 U 4.57e+05 0 e 0 81 74 0 251 3.746 4.314 1 U 2.38e+06 0 e 0 75 74 0 252 1.035 2.414 1 U 8.8e+05 0 e 0 98 96 0 253 0.972 3.698 1 U 5.26e+05 0 e 0 80 109 0 254 0.972 3.513 1 U 2.45e+05 0 e 0 80 70 0 255 0.972 3.328 1 U 9.02e+05 0 e 0 80 66 0 256 0.974 3.178 1 U 5.67e+05 0 e 0 80 115 0 257 0.972 2.987 1 U 9.44e+05 0 e 0 80 114 0 258 0.972 2.707 1 U 4.1e+05 0 e 0 80 65 0 259 0.972 2.607 1 U 1.15e+06 0 e 0 80 91 0 260 0.972 2.232 1 U 1.2e+06 0 e 0 80 79 0 261 0.848 3.331 1 U 7.21e+05 0 e 0 81 66 0 262 0.850 3.177 1 U 7.81e+05 0 e 0 81 115 0 263 0.849 2.231 1 U 6.33e+05 0 e 0 81 79 0 264 0.845 2.987 1 U 5.1e+05 0 e 0 81 114 0 265 0.584 3.727 1 U 1.79e+05 0 e 0 169 165 0 266 0.176 3.729 1 U 4.3e+05 0 e 0 170 165 0 267 2.709 3.319 1 U 3.21e+06 0 e 0 65 66 0 268 2.608 3.512 1 U 1.89e+06 0 e 0 91 70 0 269 2.458 3.750 1 U 5.22e+05 0 e 0 6 29 0 270 2.455 2.897 1 U 7.49e+05 0 e 0 6 7 0 271 2.311 3.555 1 U 6.04e+05 0 e 0 5 201 0 272 2.311 2.983 1 U 1.32e+05 0 e 0 5 108 0 273 2.312 2.898 1 U 8.09e+05 0 e 0 5 7 0 274 2.232 3.316 1 U 1.43e+06 0 e 0 79 66 0 275 2.219 3.553 1 U 4.77e+05 0 e 0 4 201 0 276 2.217 2.896 1 U 2.95e+06 0 e 0 4 7 0 277 1.931 3.339 1 U 4.17e+05 0 e 0 50 52 0 278 1.926 3.731 1 U 4.69e+05 0 e 0 167 165 0 279 1.905 3.185 1 U 4.96e+05 0 e 0 112 115 0 280 1.894 2.985 1 U 4.16e+05 0 e 0 112 114 0 281 1.799 3.276 1 U 7.03e+05 0 e 0 85 86 0 282 1.747 3.202 1 U 1.28e+06 0 e 0 49 51 0 283 1.666 3.274 1 U 8.78e+05 0 e 0 88 86 0 284 1.659 2.985 1 U 9.35e+05 0 e 0 120 114 0 285 1.627 3.185 1 U 8.66e+05 0 e 0 120 115 0 286 1.622 2.904 1 U 5.62e+05 0 e 0 59 7 0 287 1.612 3.336 1 U 5.82e+05 0 e 0 59 52 0 288 1.607 3.552 1 U 4.33e+05 0 e 0 59 201 0 289 1.583 3.273 1 U 6.86e+05 0 e 0 87 86 0 290 1.566 3.730 1 U 8.6e+05 0 e 0 166 165 0 291 1.511 3.198 1 U 4.26e+05 0 e 0 82 115 0 292 1.503 3.317 1 U 3.72e+05 0 e 0 82 66 0 293 1.486 2.989 1 U 6.2e+05 0 e 0 82 108 0 294 1.373 3.697 1 U 3.16e+05 0 e 0 78 109 0 295 1.373 3.318 1 U 7.29e+05 0 e 0 78 66 0 296 3.313 3.535 1 U 1.25e+05 0 e 0 66 201 0 297 3.209 3.728 1 U 3.28e+05 0 e 0 103 165 0 298 2.983 3.696 1 U 2.68e+06 0 e 0 108 109 0 299 2.946 3.526 1 U 3.9e+06 0 e 0 69 70 0 300 2.906 3.730 1 U 6.29e+05 0 e 0 102 165 0 301 3.568 3.751 1 U 3.26e+06 0 e 0 28 29 0 302 2.983 3.174 1 U 3.88e+06 0 e 0 114 115 0 303 2.971 3.271 1 U 5.38e+06 0 e 0 12 13 0 304 2.908 3.202 1 U 4.97e+06 0 e 0 102 103 0 305 3.187 3.337 1 U 9.35e+06 0 e 0 51 52 0 306 2.234 2.706 1 U 8.33e+05 0 e 0 79 65 0 307 1.373 2.707 1 U 4.31e+05 0 e 0 78 65 0 308 1.892 2.319 1 U 3.92e+05 0 e 0 122 123 0 309 1.894 2.202 1 U 3.04e+06 0 e 0 112 113 0 310 1.738 2.415 1 U 3.63e+06 0 e 0 97 96 0 311 1.654 2.210 1 U 6.83e+05 0 e 0 120 113 0 312 1.618 2.313 1 U 1.58e+05 0 e 0 59 5 0 313 1.501 2.231 1 U 8.06e+05 0 e 0 82 79 0 314 2.214 2.448 1 U 1.7e+06 0 e 0 4 6 0 315 2.135 2.387 1 U 1.44e+06 0 e 0 129 130 0 316 2.005 2.390 1 U 6.5e+05 0 e 0 128 130 0 317 2.309 2.452 1 U 2.58e+06 0 e 0 5 6 0 318 1.748 1.916 1 U 3.85e+06 0 e 0 49 50 0 319 1.596 2.061 1 U 4.57e+05 0 e 0 59 56 0 320 1.568 1.925 1 U 3.44e+06 0 e 0 166 167 0 321 1.529 2.060 1 U 3.64e+05 0 e 0 58 56 0 322 0.146 1.923 1 U 4.79e+05 0 e 0 170 167 0 323 0.148 1.565 1 U 4.46e+05 0 e 0 170 166 0 324 1.042 1.602 1 U 2.41e+06 0 e 0 98 99 0 325 1.038 1.733 1 U 1.33e+06 0 e 0 98 97 0 326 0.972 1.500 1 U 1.78e+06 0 e 0 80 82 0 327 0.970 1.378 1 U 9.9e+05 0 e 0 80 78 0 328 0.847 1.497 1 U 2.17e+06 0 e 0 81 82 0 329 0.849 1.376 1 U 1.34e+06 0 e 0 81 78 0 330 0.840 1.615 1 U 4.92e+05 0 e 0 81 120 0 331 0.980 1.280 1 U 1.57e+06 0 e 0 80 125 0 332 0.367 0.679 1 U 8.39e+05 0 e 0 168 171 0 333 0.362 0.560 1 U 3.42e+06 0 e 0 168 169 0 334 0.149 0.701 1 U 3.14e+05 0 e 0 170 171 0 335 0.849 1.128 1 U 5.74e+05 0 e 0 81 124 0 336 0.847 0.970 1 U 3.74e+06 0 e 0 81 80 0 337 0.151 9.142 1 U 2.69e+05 0 e 0 170 164 0 338 4.637 9.085 1 U 1.1e+06 0 e 0 3 137 0 339 4.323 8.831 1 U 1.14e+06 0 e 0 74 152 0 340 2.190 8.831 1 U 3.63e+05 0 e 0 113 152 0 341 3.291 8.348 1 U 2.55e+05 0 e 0 86 156 0 342 3.327 5.159 1 U 7.86e+05 0 e 0 66 64 0 343 1.706 5.245 1 U 3.88e+05 0 e 0 117 111 0 344 2.458 3.568 1 U 6.28e+05 0 e 0 6 28 0 345 1.373 2.233 1 U 2.49e+06 0 e 0 78 79 0 346 1.716 2.213 1 U 6.85e+05 0 e 0 117 113 0 347 11.008 7.734 1 U 1.75e+06 0 e 0 15 193 0 348 10.492 7.608 1 U 1.83e+06 0 e 0 105 200 0 349 10.250 7.745 1 U 1.5e+06 0 e 0 31 196 0 350 7.738 7.394 1 U 2.99e+06 0 e 0 193 192 0 351 7.388 7.304 1 U 9.21e+06 0 e 0 192 194 0 352 7.744 7.301 1 U 2.84e+06 0 e 0 196 195 0 353 7.610 7.387 1 U 5.53e+06 0 e 0 200 199 0 1001 5.347 7.863 1 U 1.72e+06 0 e 0 0 0 0 1002 4.943 8.107 1 U 7.11e+05 0 e 0 0 0 0 1003 4.685 7.941 1 U 4.47e+06 0 e 0 0 0 0 1004 4.628 7.464 1 U 4.8e+05 0 e 0 0 0 0 1005 4.599 8.128 1 U 6.53e+05 0 e 0 0 0 0 1006 4.339 7.992 1 U 1.37e+06 0 e 0 0 0 0 1007 4.339 7.852 1 U 3.38e+06 0 e 0 0 0 0 1008 4.221 7.668 1 U 7.15e+05 0 e 0 0 0 0 1009 5.245 7.298 1 U 3.4e+05 0 e 0 0 0 0 1010 5.244 7.136 1 U 4.9e+05 0 e 0 0 0 0 1011 4.886 7.357 1 U 3.5e+05 0 e 0 0 0 0 1012 4.710 7.310 1 U 4.36e+05 0 e 0 0 0 0 1013 3.744 7.858 1 U 1.05e+06 0 e 0 0 0 0 1014 3.730 7.609 1 U 1.12e+06 0 e 0 0 0 0 1015 3.337 7.992 1 U 2.59e+06 0 e 0 0 0 0 1016 3.338 7.740 1 U 2.02e+06 0 e 0 0 0 0 1017 3.333 7.852 1 U 5.43e+05 0 e 0 0 0 0 1018 3.285 7.826 1 U 9.9e+05 0 e 0 0 0 0 1019 3.177 7.992 1 U 3.16e+06 0 e 0 0 0 0 1020 3.179 7.741 1 U 1.12e+06 0 e 0 0 0 0 1021 2.984 9.145 1 U 4.95e+05 0 e 0 0 0 0 1022 2.975 7.833 1 U 3.99e+05 0 e 0 0 0 0 1023 8.106 8.558 1 U 9.24e+05 0 e 0 0 0 0 1024 7.864 8.803 1 U 6.34e+05 0 e 0 0 0 0 1025 7.853 9.144 1 U 1.82e+06 0 e 0 0 0 0 1026 7.611 8.557 1 U 4.09e+05 0 e 0 0 0 0 1027 7.208 8.803 1 U 1.21e+07 0 e 0 0 0 0 1028 7.138 8.555 1 U 2.54e+05 0 e 0 0 0 0 1029 8.129 8.432 1 U 3.72e+06 0 e 0 0 0 0 1030 7.943 8.128 1 U 4.03e+05 0 e 0 0 0 0 1031 7.500 7.742 1 U 4.11e+06 0 e 0 0 0 0 1032 7.466 7.863 1 U 2.57e+06 0 e 0 0 0 0 1033 7.396 7.732 1 U 2.61e+06 0 e 0 0 0 0 1034 7.305 7.740 1 U 2.4e+06 0 e 0 0 0 0 1035 7.138 7.853 1 U 2.48e+05 0 e 0 0 0 0 1036 7.134 7.673 1 U 1.48e+07 0 e 0 0 0 0 1037 7.382 7.603 1 U 6.13e+06 0 e 0 0 0 0 1038 7.299 7.604 1 U 4.03e+06 0 e 0 0 0 0 1039 7.137 7.606 1 U 2.7e+06 0 e 0 0 0 0 1040 7.059 7.351 1 U 6.77e+06 0 e 0 0 0 0 1041 6.934 7.213 1 U 1.2e+06 0 e 0 0 0 0 1042 7.747 10.246 1 U 1.45e+06 0 e 0 0 0 0 1043 7.608 10.486 1 U 1.49e+06 0 e 0 0 0 0 1044 2.711 9.207 1 U 7.41e+05 0 e 0 0 0 0 1045 2.416 7.608 1 U 9.47e+05 0 e 0 0 0 0 1046 2.416 7.137 1 U 4.22e+05 0 e 0 0 0 0 1047 2.394 9.271 1 U 1.05e+05 0 e 0 0 0 0 1048 2.312 8.803 1 U 3.18e+05 0 e 0 0 0 0 1049 2.311 9.087 1 U 1.33e+06 0 e 0 0 0 0 1050 2.215 8.806 1 U 6.87e+05 0 e 0 0 0 0 1051 1.945 7.942 1 U 3.6e+05 0 e 0 0 0 0 1052 1.750 7.941 1 U 4.81e+05 0 e 0 0 0 0 1053 1.735 7.608 1 U 9.49e+05 0 e 0 0 0 0 1054 1.735 7.297 1 U 3.67e+05 0 e 0 0 0 0 1055 1.717 7.136 1 U 7.21e+05 0 e 0 0 0 0 1056 1.664 7.137 1 U 7.7e+05 0 e 0 0 0 0 1057 1.635 8.113 1 U 1.18e+06 0 e 0 0 0 0 1058 1.614 8.557 1 U 2.51e+05 0 e 0 0 0 0 1059 1.611 7.992 1 U 2.67e+06 0 e 0 0 0 0 1060 1.596 7.941 1 U 4.86e+06 0 e 0 0 0 0 1061 1.468 7.744 1 U 6.12e+05 0 e 0 0 0 0 1062 1.032 7.607 1 U 4.54e+05 0 e 0 0 0 0 1063 1.030 7.297 1 U 6.46e+05 0 e 0 0 0 0 1064 0.972 7.992 1 U 1.59e+06 0 e 0 0 0 0 1065 0.972 7.852 1 U 5.41e+05 0 e 0 0 0 0 1066 0.843 7.992 1 U 7.51e+05 0 e 0 0 0 0 1067 0.362 7.733 1 U 5.35e+05 0 e 0 0 0 0 1068 0.167 7.852 1 U 3.24e+05 0 e 0 0 0 0 1069 -0.218 7.992 1 U 1.14e+06 0 e 0 0 0 0 1070 1.669 9.728 1 U 5.12e+05 0 e 0 0 0 0 1071 1.663 10.487 1 U 6.03e+05 0 e 0 0 0 0 1072 -0.217 10.246 1 U 4.27e+05 0 e 0 0 0 0 1073 7.734 11.006 1 U 1.25e+06 0 e 0 0 0 0 1074 3.839 5.345 1 U 1.03e+06 0 e 0 0 0 0 1075 3.566 5.090 1 U 5.36e+05 0 e 0 0 0 0 1076 2.972 5.123 1 U 1.76e+06 0 e 0 0 0 0 1077 2.222 5.139 1 U 4.09e+05 0 e 0 0 0 0 1078 0.603 5.346 1 U 9.72e+05 0 e 0 0 0 0 1079 -0.218 5.345 1 U 1.23e+06 0 e 0 0 0 0 1080 4.435 5.230 1 U 7.85e+05 0 e 0 0 0 0 1081 3.336 4.325 1 U 4.09e+05 0 e 0 0 0 0 1082 3.177 4.329 1 U 5.58e+05 0 e 0 0 0 0 1083 3.073 4.352 1 U 4.03e+05 0 e 0 0 0 0 1084 2.991 4.330 1 U 3.91e+05 0 e 0 0 0 0 1085 2.557 4.218 1 U 3.85e+05 0 e 0 0 0 0 1086 2.184 4.219 1 U 1.17e+06 0 e 0 0 0 0 1087 2.114 4.218 1 U 9.6e+05 0 e 0 0 0 0 1088 1.644 4.380 1 U 7.35e+05 0 e 0 0 0 0 1089 1.510 4.436 1 U 5.06e+05 0 e 0 0 0 0 1090 4.104 4.296 1 U 5.43e+06 0 e 0 0 0 0 1091 3.937 4.243 1 U 3.53e+05 0 e 0 0 0 0 1092 3.750 4.219 1 U 3.91e+05 0 e 0 0 0 0 1093 3.746 4.346 1 U 1.89e+06 0 e 0 0 0 0 1094 0.972 3.837 1 U 9.61e+05 0 e 0 0 0 0 1095 0.833 3.837 1 U 7.68e+05 0 e 0 0 0 0 1096 -0.217 3.838 1 U 6.24e+05 0 e 0 0 0 0 1097 2.220 2.985 1 U 6.72e+05 0 e 0 0 0 0 1098 2.209 3.179 1 U 3.78e+05 0 e 0 0 0 0 1099 1.807 3.096 1 U 1.13e+06 0 e 0 0 0 0 1100 1.751 3.340 1 U 1.72e+06 0 e 0 0 0 0 1101 1.610 3.838 1 U 1.05e+06 0 e 0 0 0 0 1102 1.373 2.986 1 U 7.61e+05 0 e 0 0 0 0 1103 1.598 2.418 1 U 6.6e+05 0 e 0 0 0 0 1104 2.045 2.430 1 U 4.2e+05 0 e 0 0 0 0 1105 2.189 2.549 1 U 5.3e+05 0 e 0 0 0 0 1106 2.118 2.562 1 U 4.73e+05 0 e 0 0 0 0 1107 -0.217 1.608 1 U 2.59e+06 0 e 0 0 0 0 1108 0.605 0.822 1 U 2.45e+06 0 e 0 0 0 0 1109 1.291 1.561 1 U 1.88e+06 0 e 0 0 0 0 1110 1.254 1.647 1 U 7.11e+05 0 e 0 0 0 0 1111 2.562 8.836 1 U 3.81e+05 0 e 0 0 0 0 1112 3.062 8.635 1 U 8.66e+03 0 e 0 0 0 0 1113 3.840 7.990 1 U 2.78e+06 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 . . 12 ppm . . . 4.76 . . 30411 1 2 . . H 1 H . . 12 ppm . . . 4.76 . . 30411 1 stop_ save_