######################### # 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 34319 _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.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 # INAME 1 H1 # INAME 2 H1 2 7.337 10.247 1 U 1.304e+06 1.72e+03 a 0 57 61 0 3 7.567 10.248 1 U 5.907e+05 1.27e+03 a 0 64 61 0 4 10.249 10.248 1 U 1.707e+07 4.00e+03 a 0 61 61 0 5 10.249 7.566 1 U 7.328e+05 9.79e+02 a 0 61 64 0 6 10.245 7.337 1 U 1.600e+06 1.71e+03 a 0 61 57 0 7 7.337 7.337 1 U 2.691e+07 3.69e+04 a 0 57 57 0 9 4.044 6.274 1 U 9.755e+05 1.41e+03 a 0 70 68 0 11 6.274 4.044 1 U 8.147e+05 1.46e+03 a 0 68 70 0 14 1.160 6.274 1 U 6.423e+05 1.99e+03 a 0 73 68 0 15 1.159 1.162 1 U 7.967e+05 1.36e+06 a 0 73 73 0 16 6.274 1.161 1 U 3.584e+05 2.19e+03 a 0 68 73 0 17 0.966 6.274 1 U 7.487e+05 2.17e+03 a 0 72 68 0 18 0.965 0.965 1 U 8.483e+06 2.56e+05 a 0 72 72 0 19 6.274 0.965 1 U 3.814e+05 1.89e+03 a 0 68 72 0 20 1.159 0.964 1 U 5.038e+06 8.77e+03 a 0 73 72 0 21 0.965 1.158 1 U 5.568e+06 4.42e+03 a 0 72 73 0 22 0.038 6.274 1 U 1.079e+06 1.84e+03 a 0 77 68 0 23 -0.249 6.274 1 U 5.514e+05 1.81e+03 a 0 76 68 0 25 -0.249 -0.249 1 U 1.446e+07 2.14e+03 a 0 76 76 0 26 6.274 0.040 1 U 5.917e+05 2.00e+03 a 0 68 77 0 27 6.274 -0.249 1 U 2.783e+05 2.08e+03 a 0 68 76 0 29 0.041 -0.249 1 U 4.258e+06 1.99e+03 a 0 77 76 0 30 -0.249 0.043 1 U 4.374e+06 2.07e+03 a 0 76 77 0 37 5.114 9.172 1 U 4.773e+05 1.63e+03 a 0 23 21 0 38 9.172 9.172 1 U 1.589e+07 3.87e+03 a 0 21 21 0 40 9.172 5.114 1 U 4.463e+05 2.05e+03 a 0 21 23 0 41 5.114 5.114 1 U 1.755e+07 4.34e+03 a 0 23 23 0 42 3.150 9.172 1 U 6.755e+05 3.77e+03 a 0 26 21 0 43 3.151 3.149 1 U 1.708e+07 2.57e+04 a 0 26 26 0 44 9.172 3.148 1 U 6.007e+05 1.89e+03 a 0 21 26 0 45 3.056 9.172 1 U 1.160e+06 5.72e+03 a 0 25 21 0 46 3.056 3.056 1 U 2.842e+07 1.47e+05 a 0 25 25 0 47 9.172 3.056 1 U 6.523e+05 1.98e+03 a 0 21 25 0 48 3.056 3.149 1 U 9.907e+06 5.57e+04 a 0 25 26 0 49 3.151 3.056 1 U 9.088e+06 6.00e+04 a 0 26 25 0 51 5.114 7.263 1 U 6.398e+05 1.35e+03 a 0 23 40 0 52 7.265 7.264 1 U 4.531e+06 9.21e+05 a 0 40 40 0 53 7.263 5.114 1 U 4.323e+05 1.40e+03 a 0 40 23 0 56 3.154 7.263 1 U 1.214e+06 6.93e+03 a 0 26 40 0 57 3.056 7.263 1 U 1.696e+06 6.22e+03 a 0 25 40 0 58 7.266 3.148 1 U 8.393e+05 2.14e+03 a 0 40 26 0 59 7.266 3.056 1 U 1.226e+06 3.41e+03 a 0 40 25 0 60 4.181 7.337 1 U 1.318e+06 1.08e+03 a 0 46 57 0 62 4.181 6.274 1 U 3.140e+05 1.88e+03 a 0 46 68 0 69 3.071 7.337 1 U 3.559e+05 1.52e+03 a 0 48 57 0 70 2.914 7.337 1 U 2.048e+05 1.77e+03 a 0 44 57 0 74 4.181 4.183 1 U 1.756e+07 9.85e+03 a 0 46 46 0 76 3.067 3.067 1 U 1.489e+07 2.22e+05 a 0 48 48 0 77 2.914 2.914 1 U 3.357e+06 2.26e+06 a 0 44 44 0 78 3.067 2.914 1 U 3.259e+06 5.66e+04 a 0 0 44 0 79 2.914 3.067 1 U 8.174e+06 1.57e+04 a 0 0 48 0 80 3.075 6.274 1 U 1.060e+06 1.87e+03 a 0 48 68 0 81 2.914 6.274 1 U 1.162e+05 2.14e+03 a 0 44 68 0 87 4.788 8.182 1 U 5.653e+05 1.70e+03 a 0 96 94 0 88 3.070 8.182 1 U 9.161e+05 2.11e+03 a 0 99 94 0 90 4.788 7.134 1 U 1.321e+06 1.28e+03 a 0 96 114 0 91 3.070 7.134 1 U 1.837e+06 2.12e+03 a 0 99 114 0 92 2.917 7.135 1 U 1.903e+06 1.74e+03 a 0 98 114 0 94 4.788 6.686 1 U 7.103e+04 4.79e+03 a 0 96 113 0 95 2.920 6.686 1 U 1.267e+05 2.02e+03 a 0 98 113 0 96 3.072 6.686 1 U 1.596e+05 2.04e+03 a 0 99 113 0 98 5.356 8.411 1 U 3.486e+05 1.86e+04 a 0 119 117 0 101 4.044 8.182 1 U 4.669e+05 1.64e+03 a 0 70 94 0 102 4.788 8.411 1 U 2.494e+06 1.76e+03 a 0 96 117 0 103 4.455 8.391 1 U 5.313e+05 1.66e+03 a 0 128 126 0 104 1.011 8.391 1 U 1.494e+06 1.57e+03 a 0 141 126 0 105 5.579 8.560 1 U 4.130e+05 1.90e+03 a 0 14 12 0 106 2.985 8.562 1 U 9.388e+05 3.45e+03 a 0 17 12 0 107 2.894 8.560 1 U 4.167e+05 9.97e+03 a 0 16 12 0 108 5.579 9.172 1 U 2.611e+06 1.61e+03 a 0 14 21 0 110 4.464 8.562 1 U 2.076e+06 1.66e+03 a 0 4 12 0 111 2.825 8.562 1 U 1.027e+06 4.69e+03 a 0 8 12 0 113 5.359 9.172 1 U 4.674e+05 1.89e+03 a 0 119 21 0 114 2.273 8.391 1 U 2.514e+05 1.86e+03 a 0 130 126 0 116 2.935 8.411 1 U 2.954e+06 3.14e+03 a 0 123 117 0 118 2.919 8.182 1 U 1.526e+06 2.10e+03 a 0 98 94 0 119 3.070 8.411 1 U 6.788e+05 3.10e+03 a 0 99 117 0 124 2.893 9.172 1 U 1.430e+06 4.02e+03 a 0 16 21 0 125 8.182 8.182 1 U 1.887e+07 3.95e+03 a 0 94 94 0 126 4.788 4.788 1 U 5.466e+05 1.02e+04 a 0 96 96 0 127 6.267 8.182 1 U 8.656e+05 1.61e+03 a 0 68 94 0 128 8.182 9.172 1 U 2.721e+05 1.79e+03 a 0 94 21 0 129 8.560 8.560 1 U 1.826e+07 3.46e+03 a 0 12 12 0 131 8.411 8.411 1 U 1.813e+07 1.03e+05 a 0 117 117 0 132 5.354 5.358 1 U 1.170e+07 2.77e+03 a 0 119 119 0 133 5.356 5.579 1 U 2.671e+06 1.79e+03 a 0 119 14 0 135 8.391 8.391 1 U 3.031e+07 4.42e+04 a 0 126 126 0 136 4.456 4.456 1 U 2.329e+07 1.44e+05 a 0 128 128 0 137 6.277 7.337 1 U 3.848e+05 1.52e+03 a 0 68 57 0 138 7.136 7.135 1 U 4.508e+07 8.07e+04 a 0 114 114 0 140 6.685 6.687 1 U 4.545e+07 1.94e+04 a 0 113 113 0 141 6.274 7.138 1 U 1.958e+05 1.78e+03 a 0 68 114 0 142 6.686 7.135 1 U 4.201e+06 2.48e+03 a 0 113 114 0 146 2.828 2.827 1 U 5.687e+07 3.84e+04 a 0 8 8 0 147 4.465 4.465 1 U 2.186e+07 1.52e+05 a 0 4 4 0 148 2.512 7.252 1 U 5.724e+05 3.27e+03 a 0 85 91 0 149 2.418 7.252 1 U 7.073e+05 3.92e+03 a 0 84 91 0 150 2.514 2.513 1 U 2.656e+07 2.89e+04 a 0 85 85 0 151 2.416 2.418 1 U 2.561e+07 3.71e+04 a 0 84 84 0 152 7.253 7.253 1 U 2.296e+06 8.54e+05 a 0 91 91 0 153 2.838 4.466 1 U 9.311e+05 4.46e+03 a 0 8 4 0 154 4.467 2.838 1 U 1.735e+06 1.78e+03 a 0 4 8 0 155 2.987 2.987 1 U 1.476e+07 9.57e+04 a 0 17 17 0 156 2.894 2.895 1 U 1.081e+07 3.54e+05 a 0 16 16 0 157 2.894 2.988 1 U 5.636e+06 7.19e+04 a 0 16 17 0 158 2.987 2.895 1 U 7.282e+06 8.52e+04 a 0 17 16 0 159 3.069 4.181 1 U 1.719e+06 2.88e+03 a 0 48 46 0 161 4.181 3.076 1 U 1.164e+06 1.65e+03 a 0 46 48 0 162 2.914 4.181 1 U 2.089e+06 1.63e+03 a 0 44 46 0 163 4.181 2.914 1 U 2.359e+06 1.02e+03 a 0 46 44 0 164 2.416 2.513 1 U 7.574e+06 6.60e+04 a 0 84 85 0 165 2.514 2.418 1 U 7.742e+06 6.44e+04 a 0 85 84 0 167 3.073 3.072 1 U 1.538e+07 1.21e+05 a 0 99 99 0 168 2.919 2.918 1 U 1.239e+06 1.81e+06 a 0 98 98 0 169 2.919 3.069 1 U 8.174e+06 1.57e+04 a 0 98 99 0 170 3.073 2.919 1 U 5.670e+06 5.05e+04 a 0 99 98 0 171 2.935 2.935 1 U 3.432e+07 3.51e+05 a 0 123 123 0 172 2.273 2.273 1 U 2.970e+07 1.76e+04 a 0 130 130 0 173 1.011 1.014 1 U 6.244e+06 1.64e+06 a 0 141 141 0 174 1.011 4.452 1 U 7.564e+05 1.68e+03 a 0 141 128 0 175 4.456 1.002 1 U 1.062e+06 1.19e+03 a 0 128 141 0 176 2.273 4.452 1 U 8.249e+05 1.30e+03 a 0 130 128 0 177 4.453 2.273 1 U 1.013e+06 1.50e+03 a 0 128 130 0 178 7.136 8.182 1 U 6.043e+05 1.26e+03 a 0 114 94 0 179 8.182 7.136 1 U 6.629e+05 1.48e+03 a 0 94 114 0 180 7.132 8.411 1 U 1.433e+05 2.09e+03 a 0 114 117 0 181 2.513 6.684 1 U 1.633e+05 1.95e+03 a 0 85 113 0 182 2.418 6.683 1 U 9.873e+04 2.33e+03 a 0 84 113 0 183 0.998 6.684 1 U 2.807e+05 2.11e+03 a 0 0 113 0 184 0.040 6.684 1 U 1.422e+05 1.82e+03 a 0 77 113 0 185 -0.249 6.683 1 U 1.271e+05 2.20e+03 a 0 76 113 0 190 7.568 7.573 1 U 2.564e+07 1.43e+05 a 0 64 64 0 191 2.974 5.579 1 U 7.929e+05 6.24e+03 a 0 17 14 0 192 2.894 5.579 1 U 1.500e+06 5.40e+03 a 0 16 14 0 193 5.580 2.975 1 U 9.582e+05 3.95e+03 a 0 14 17 0 194 5.580 2.893 1 U 1.483e+06 3.33e+03 a 0 14 16 0 195 2.927 5.357 1 U 2.191e+06 2.42e+03 a 0 123 119 0 196 5.358 2.927 1 U 2.421e+06 2.01e+03 a 0 119 123 0 197 3.147 5.114 1 U 1.019e+06 3.88e+03 a 0 26 23 0 198 3.056 5.114 1 U 1.071e+06 5.84e+03 a 0 25 23 0 199 2.914 5.114 1 U 2.784e+06 1.96e+03 a 0 0 23 0 200 5.114 3.146 1 U 9.613e+05 1.96e+03 a 0 23 26 0 201 5.114 3.056 1 U 8.504e+05 1.84e+03 a 0 23 25 0 202 5.114 2.914 1 U 3.363e+06 1.08e+03 a 0 23 0 0 203 1.011 5.358 1 U 1.695e+05 2.15e+03 a 0 141 119 0 204 5.358 1.010 1 U 1.592e+05 1.89e+03 a 0 119 141 0 205 1.163 4.044 1 U 1.221e+06 1.88e+03 a 0 73 70 0 206 0.967 4.044 1 U 1.121e+06 1.76e+03 a 0 72 70 0 207 4.050 1.161 1 U 9.354e+05 1.83e+03 a 0 70 73 0 208 4.050 0.966 1 U 9.112e+05 2.01e+03 a 0 70 72 0 209 0.037 4.046 1 U 3.225e+05 2.08e+03 a 0 77 70 0 210 4.047 0.036 1 U 1.752e+05 2.17e+03 a 0 70 77 0 211 -0.249 4.047 1 U 1.885e+05 2.01e+03 a 0 76 70 0 212 4.048 -0.249 1 U 7.703e+04 2.19e+03 a 0 70 76 0 213 1.010 2.933 1 U 2.009e+05 2.13e+03 a 0 141 123 0 214 2.933 1.010 1 U 2.085e+05 3.24e+03 a 0 123 141 0 215 1.011 2.843 1 U 3.502e+05 1.91e+03 a 0 141 8 0 216 2.836 1.014 1 U 3.535e+05 2.54e+03 a 0 8 141 0 217 1.008 2.273 1 U 2.689e+06 1.92e+03 a 0 141 130 0 218 2.273 1.006 1 U 2.575e+06 5.05e+03 a 0 130 141 0 225 0.041 0.040 1 U 1.124e+07 1.90e+04 a 0 77 77 0 226 0.036 2.509 1 U 1.171e+05 2.41e+03 a 0 77 85 0 227 2.508 0.034 1 U 2.188e+04 2.51e+03 a 0 85 77 0 228 2.426 0.035 1 U 1.302e+05 2.21e+03 a 0 84 77 0 229 0.036 2.425 1 U 2.010e+05 2.08e+03 a 0 77 84 0 230 -0.249 2.422 1 U 1.432e+05 2.11e+03 a 0 76 84 0 231 -0.249 2.515 1 U 2.331e+05 2.41e+03 a 0 76 85 0 232 2.422 -0.249 1 U 3.785e+04 2.52e+03 a 0 84 76 0 234 2.514 -0.249 1 U 1.663e+05 2.34e+03 a 0 85 76 0 235 0.041 1.160 1 U 4.581e+05 1.98e+03 a 0 77 73 0 236 -0.249 1.163 1 U 2.791e+05 2.27e+03 a 0 76 73 0 237 1.161 0.038 1 U 4.969e+05 2.34e+03 a 0 73 77 0 238 1.161 -0.249 1 U 3.492e+05 2.29e+03 a 0 73 76 0 241 0.042 0.966 1 U 5.846e+04 4.65e+03 a 0 77 72 0 242 0.966 0.042 1 U 2.267e+04 4.42e+03 a 0 72 77 0 243 -0.249 0.965 1 U 9.351e+05 4.18e+03 a 0 76 72 0 244 0.965 -0.249 1 U 5.736e+05 6.03e+03 a 0 72 76 0 245 8.391 1.020 1 U 1.214e+06 1.34e+03 a 0 126 141 0 246 8.391 2.273 1 U 1.741e+05 2.07e+03 a 0 126 130 0 249 7.241 2.414 1 U 6.925e+05 2.62e+03 a 0 91 84 0 250 7.241 2.500 1 U 6.701e+05 2.63e+03 a 0 91 85 0 251 4.788 3.069 1 U 1.377e+06 1.90e+03 a 0 96 99 0 252 4.788 2.920 1 U 9.882e+05 1.85e+03 a 0 96 98 0 253 6.274 3.069 1 U 8.971e+05 1.83e+03 a 0 68 48 0 254 6.275 4.181 1 U 4.045e+05 1.75e+03 a 0 68 46 0 255 9.172 2.906 1 U 1.110e+06 2.68e+03 a 0 21 16 0 256 8.562 2.830 1 U 7.462e+05 2.47e+03 a 0 12 8 0 257 8.561 2.900 1 U 5.765e+05 2.79e+03 a 0 12 16 0 258 8.561 2.980 1 U 6.559e+05 1.98e+03 a 0 12 17 0 259 8.562 4.471 1 U 1.208e+06 1.51e+03 a 0 12 4 0 261 8.411 2.932 1 U 2.528e+06 2.32e+03 a 0 117 123 0 263 9.172 8.182 1 U 2.980e+05 1.78e+03 a 0 21 94 0 264 7.259 9.172 1 U 1.400e+05 1.85e+03 a 0 40 21 0 266 9.172 7.258 1 U 1.994e+05 2.42e+03 a 0 21 40 0 267 8.411 7.132 1 U 1.980e+05 1.96e+03 a 0 117 114 0 268 9.172 5.579 1 U 2.036e+06 1.84e+03 a 0 21 14 0 269 9.172 5.361 1 U 3.234e+05 2.01e+03 a 0 21 119 0 271 7.260 7.573 1 U 2.202e+06 7.48e+03 a 0 0 64 0 272 7.567 7.261 1 U 1.895e+06 2.78e+03 a 0 64 65 0 273 7.604 7.603 1 U 2.209e+07 1.78e+05 a 0 58 58 0 274 7.192 7.192 1 U 5.456e+07 1.63e+05 a 0 62 62 0 275 7.192 7.604 1 U 2.273e+06 6.92e+03 a 0 62 58 0 276 7.604 7.192 1 U 1.999e+06 2.88e+03 a 0 58 62 0 277 6.686 7.604 1 U 1.847e+05 1.87e+03 a 0 113 58 0 278 7.605 6.686 1 U 1.905e+05 1.64e+03 a 0 58 113 0 279 6.279 7.603 1 U 4.369e+05 1.72e+03 a 0 68 58 0 280 7.603 6.279 1 U 2.904e+05 1.88e+03 a 0 58 68 0 281 4.181 7.603 1 U 2.113e+05 1.65e+03 a 0 46 58 0 282 7.603 4.181 1 U 1.748e+05 2.07e+03 a 0 58 46 0 283 3.065 7.603 1 U 9.418e+05 1.93e+03 a 0 48 58 0 284 2.914 7.600 1 U 1.200e+05 2.04e+03 a 0 44 58 0 285 7.604 3.067 1 U 5.243e+05 1.82e+03 a 0 58 48 0 286 7.602 2.914 1 U 8.993e+04 2.23e+03 a 0 58 44 0 287 8.182 6.266 1 U 7.042e+05 1.83e+03 a 0 94 68 0 288 7.132 6.272 1 U 1.501e+05 2.09e+03 a 0 114 68 0 289 7.337 6.277 1 U 2.020e+05 2.16e+03 a 0 57 68 0 290 7.137 6.686 1 U 4.565e+06 2.94e+03 a 0 114 113 0 291 8.411 5.357 1 U 4.796e+05 1.87e+04 a 0 117 119 0 292 8.558 5.586 1 U 3.016e+05 2.08e+03 a 0 12 14 0 293 8.391 4.444 1 U 2.967e+05 2.11e+03 a 0 126 128 0 296 8.411 3.070 1 U 4.983e+05 2.04e+03 a 0 117 99 0 297 8.182 3.068 1 U 7.318e+05 1.87e+03 a 0 94 99 0 299 8.182 2.919 1 U 1.132e+06 1.99e+03 a 0 94 98 0 301 7.257 1.017 1 U 8.716e+05 2.16e+03 a 0 0 141 0 302 7.136 3.077 1 U 1.349e+06 2.25e+03 a 0 114 99 0 303 7.135 2.924 1 U 1.312e+06 2.09e+03 a 0 114 98 0 304 5.579 8.391 1 U 5.255e+05 1.70e+03 a 0 14 126 0 305 8.391 5.599 1 U 1.809e+05 5.08e+03 a 0 126 14 0 306 2.416 7.571 1 U 9.518e+04 2.30e+03 a 0 84 64 0 308 -0.249 7.135 1 U 1.126e+05 2.08e+03 a 0 76 114 0 309 4.181 3.747 1 U 8.633e+05 1.89e+03 a 0 46 49 0 311 3.748 4.181 1 U 1.183e+06 1.62e+03 a 0 49 46 0 313 3.750 3.747 1 U 9.007e+06 8.08e+03 a 0 49 49 0 314 5.580 5.580 1 U 1.123e+07 1.97e+03 a 0 14 14 0 315 5.580 5.357 1 U 2.663e+06 1.83e+03 a 0 14 119 0 316 3.748 7.136 1 U 1.962e+05 2.10e+03 a 0 49 114 0 317 3.749 7.260 1 U 2.624e+05 2.00e+03 a 0 49 0 0 318 3.748 7.337 1 U 3.464e+05 1.16e+03 a 0 49 57 0 319 7.337 3.748 1 U 1.672e+05 2.42e+03 a 0 57 49 0 320 3.749 7.603 1 U 9.577e+05 1.68e+03 a 0 49 58 0 321 7.603 3.748 1 U 5.381e+05 1.76e+03 a 0 58 49 0 323 6.275 6.281 1 U 1.283e+07 5.20e+05 a 0 68 68 0 324 3.750 6.275 1 U 1.844e+06 1.84e+03 a 0 49 68 0 325 6.275 3.749 1 U 1.533e+06 1.83e+03 a 0 68 49 0 326 3.075 3.751 1 U 4.778e+06 2.30e+03 a 0 48 49 0 327 3.751 3.074 1 U 5.216e+06 2.24e+03 a 0 49 48 0 328 2.914 3.743 1 U 2.328e+05 2.42e+03 a 0 0 49 0 329 3.744 2.914 1 U 3.981e+05 2.03e+03 a 0 49 0 0 330 4.045 4.044 1 U 2.095e+07 2.03e+04 a 0 70 70 0 331 0.040 7.135 1 U 6.850e+04 2.26e+03 a 0 77 114 0 332 0.040 7.337 1 U 5.650e+04 2.10e+03 a 0 77 57 0 333 -0.249 7.337 1 U 5.571e+04 2.05e+03 a 0 76 57 0 334 5.580 7.264 1 U 6.868e+04 2.56e+03 a 0 14 40 0 336 2.918 7.260 1 U 6.543e+05 3.14e+03 a 0 0 0 0 337 2.830 7.261 1 U 2.252e+05 3.62e+03 a 0 8 40 0 339 3.050 7.194 1 U 1.786e+05 2.33e+03 a 0 0 62 0 340 6.270 2.921 1 U 1.005e+05 2.22e+03 a 0 68 0 0 341 3.749 8.183 1 U 2.159e+05 2.17e+03 a 0 49 94 0 342 0.040 7.607 1 U 0.000e+00 0.00e+00 - 0 77 58 0 343 0.040 8.183 1 U 0.000e+00 0.00e+00 - 0 77 94 0 344 -0.249 8.183 1 U 0.000e+00 0.00e+00 - 0 76 94 0 345 -0.249 10.250 1 U 0.000e+00 0.00e+00 - 0 76 61 0 346 1.029 4.044 1 U 0.000e+00 0.00e+00 - 0 82 70 0 348 1.029 7.576 1 U 0.000e+00 0.00e+00 - 0 82 64 0 349 1.029 10.249 1 U 0.000e+00 0.00e+00 - 0 82 61 0 350 1.011 7.193 1 U 0.000e+00 0.00e+00 - 0 141 41 0 351 1.029 7.253 1 U 0.000e+00 0.00e+00 - 0 82 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 HN . . 14 ppm . . . 4.76 . . 34319 1 2 . . H 1 HN . . 14 ppm . . . 4.76 . . 34319 1 stop_ save_