######################### # 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 31148 _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 #INAME 1 H #INAME 2 H #CYANAFORMAT HH 1 8.036 5.011 1 T 1.212e+06 0.00e+00 a 0 H.6 HA.6 2 8.038 3.113 1 T 3.096e+06 0.00e+00 a 0 H.6 HB2.6 3 8.037 2.656 1 T 1.990e+06 0.00e+00 a 0 H.6 HB3.6 4 3.117 5.012 1 T 1.918e+06 0.00e+00 a 0 HB2.6 HA.6 5 2.665 5.022 1 T 1.133e+06 0.00e+00 a 0 HB3.6 HA.6 8 4.384 1.099 1 T 7.560e+05 0.00e+00 a 0 HB.5 QG2.5 9 4.223 1.099 1 T 1.592e+06 0.00e+00 a 0 HA.5 QG2.5 10 1.095 4.233 1 T 4.358e+06 0.00e+00 a 0 QG2.5 HA.5 11 1.095 4.384 1 T 6.803e+06 0.00e+00 a 0 QG2.5 HB.5 12 4.227 4.382 1 T 1.913e+06 0.00e+00 a 0 HA.5 HB.5 13 4.384 4.227 1 T 3.428e+06 0.00e+00 a 0 HB.5 HA.5 14 8.037 4.225 1 T 2.368e+06 0.00e+00 a 0 H.5 HA.5 15 8.036 4.385 1 T 1.062e+06 0.00e+00 a 0 H.5 HB.5 16 8.035 1.095 1 T 1.771e+06 0.00e+00 a 0 H.5 QG2.5 17 8.036 4.332 1 T 2.464e+06 0.00e+00 a 0 H.5 HA.4 18 8.117 4.330 1 T 2.499e+06 0.00e+00 a 0 H.4 HA.4 19 8.118 3.108 1 T 3.677e+06 0.00e+00 a 0 H.4 HB2.4 20 8.118 3.055 1 T 6.435e+06 0.00e+00 a 0 H.4 HB3.4 21 3.109 4.329 1 T 3.869e+06 0.00e+00 a 0 HB2.4 HA.4 22 3.056 4.330 1 T 4.221e+06 0.00e+00 a 0 - - 23 8.384 3.005 1 T 1.561e+06 0.00e+00 a 0 H.3 HB3.3 24 8.385 3.553 1 T 1.096e+06 0.00e+00 a 0 H.3 HB2.3 25 8.383 4.879 1 T 1.794e+06 0.00e+00 a 0 H.3 HA.3 26 8.117 4.878 1 T 2.599e+06 0.00e+00 a 0 H.4 HA.3 27 8.384 4.032 1 T 5.839e+06 0.00e+00 a 0 H.3 HA2.2 28 8.385 3.905 1 T 2.479e+06 0.00e+00 a 0 H.3 HA3.2 29 8.857 3.903 1 T 4.504e+06 0.00e+00 a 0 H.2 HA3.2 30 8.858 4.030 1 T 2.976e+06 0.00e+00 a 0 H.2 HA2.2 31 8.277 4.146 1 T 3.363e+06 0.00e+00 a 0 H.8 HA.8 32 7.848 4.144 1 T 1.788e+06 0.00e+00 a 0 H.9 HA.8 33 7.847 4.575 1 T 2.568e+06 0.00e+00 a 0 H.9 HA.9 34 7.848 3.415 1 T 5.067e+06 0.00e+00 a 0 H.9 HB2.9 35 7.848 2.952 1 T 3.560e+06 0.00e+00 a 0 H.9 HB3.9 36 8.280 3.116 1 T 8.561e+05 0.00e+00 a 0 H.8 HD2.8 37 8.282 1.840 1 T 1.622e+06 0.00e+00 a 0 H.8 HB2.8 38 8.284 1.688 1 T 3.513e+06 0.00e+00 a 0 H.8 HB3.8 39 8.280 1.551 1 T 3.646e+06 0.00e+00 a 0 H.8 HG2.8 40 7.323 1.549 1 T 6.309e+05 0.00e+00 a 0 HE.8 HG3.8 41 7.322 1.688 1 T 1.174e+06 0.00e+00 a 0 HE.8 HB3.8 42 7.321 3.121 1 T 1.066e+06 0.00e+00 a 0 HE.8 HD3.8 43 4.148 1.548 1 T 1.781e+06 0.00e+00 a 0 HA.8 HG3.8 44 4.146 1.690 1 T 1.573e+05 0.00e+00 a 0 HA.8 HB3.8 45 4.142 1.842 1 T 3.141e+06 0.00e+00 a 0 HA.8 HB2.8 46 8.007 4.573 1 T 8.344e+06 0.00e+00 a 0 H.10 HA.9 47 8.011 4.191 1 T 1.852e+06 0.00e+00 a 0 H.12 HA.12 48 8.012 2.148 1 T 6.678e+05 0.00e+00 a 0 H.12 HG2.12 49 8.012 2.076 1 T 6.927e+05 0.00e+00 a 0 H.12 HG3.12 50 8.010 1.876 1 T 3.158e+06 0.00e+00 a 0 H.12 HB3.12 51 2.149 4.192 1 T 7.667e+05 0.00e+00 a 0 HG2.12 HA.12 52 2.076 4.192 1 T 8.108e+05 0.00e+00 a 0 HG3.12 HA.12 53 1.881 4.188 1 T 3.386e+06 0.00e+00 a 0 HB2.12 HA.12 54 4.191 2.151 1 T 6.159e+05 0.00e+00 a 0 - - 55 4.188 2.079 1 T 5.670e+05 0.00e+00 a 0 - - 56 4.188 1.884 1 T 2.229e+06 0.00e+00 a 0 - - 57 8.152 4.183 1 T 5.301e+06 0.00e+00 a 0 H.13 HA.12 58 8.153 4.569 1 T 1.993e+06 0.00e+00 a 0 H.13 HA.13 59 8.153 3.057 1 T 2.438e+06 0.00e+00 a 0 H.13 HB2.13 60 8.152 3.003 1 T 2.946e+06 0.00e+00 a 0 H.13 HB3.13 61 7.948 4.282 1 T 1.102e+06 0.00e+00 a 0 H.15 HA.15 62 7.946 4.603 1 T 6.347e+06 0.00e+00 a 0 H.15 HA.14 63 8.108 4.591 1 T 6.031e+06 0.00e+00 a 0 H.14 HA.14 64 8.003 4.109 1 T 1.917e+06 0.00e+00 a 0 H.10 HA.10 65 7.026 3.058 1 T 2.139e+06 0.00e+00 a 0 HE.10 HD3.10 66 8.002 3.066 1 T 7.584e+05 0.00e+00 a 0 H.10 HD2.10 67 8.004 1.705 1 T 3.148e+06 0.00e+00 a 0 H.10 HB2.10 68 8.003 1.451 1 T 7.740e+05 0.00e+00 a 0 H.10 HG3.10 69 8.002 1.393 1 T 5.794e+05 0.00e+00 a 0 H.10 HG3.10 70 7.028 1.713 1 T 8.287e+05 0.00e+00 a 0 HE.10 HB3.10 71 7.028 1.450 1 T 3.189e+05 0.00e+00 a 0 HE.10 HG2.10 72 7.026 1.389 1 T 5.466e+05 0.00e+00 a 0 HE.10 HG3.10 73 8.007 7.506 1 T 1.996e+06 0.00e+00 a 0 H.10 HN.11 75 7.503 4.107 1 T 1.070e+06 0.00e+00 a 0 HN.11 HA.10 76 7.503 4.575 1 T 1.791e+06 0.00e+00 a 0 HD2.11 HA.11 76 7.503 4.575 1 T 1.791e+06 0.00e+00 a 0 HN.11 HA.11 77 7.508 2.954 1 T 1.790e+06 0.00e+00 a 0 HD2.11 HB3.11 77 7.508 2.954 1 T 1.790e+06 0.00e+00 a 0 HN.11 HB3.11 78 7.949 3.102 1 T 3.912e+05 0.00e+00 a 0 H.15 HE2.15 79 7.947 3.015 1 T 1.106e+06 0.00e+00 a 0 H.15 HE3.15 80 7.885 3.015 1 T 1.451e+06 0.00e+00 a 0 HZ1.15 HE3.15 81 7.881 3.104 1 T 1.574e+06 0.00e+00 a 0 HZ1.15 HE2.15 82 7.949 1.780 1 T 7.941e+05 0.00e+00 a 0 H.15 HB2.15 83 7.947 1.610 1 T 2.141e+06 0.00e+00 a 0 H.15 HB3.15 84 7.953 1.383 1 T 3.297e+05 0.00e+00 a 0 H.15 HD3.15 85 7.884 1.387 1 T 1.799e+06 0.00e+00 a 0 HZ1.15 HD3.15 86 7.884 1.205 1 T 6.695e+05 0.00e+00 a 0 HZ1.15 HG3.15 87 7.947 1.199 1 T 1.640e+06 0.00e+00 a 0 H.15 HG2.15 88 8.110 3.015 1 T 5.216e+06 0.00e+00 a 0 H.14 HB2.14 89 8.109 2.832 1 T 3.062e+06 0.00e+00 a 0 H.14 HB3.14 90 8.853 2.102 1 T 2.221e+06 0.00e+00 a 0 H.2 HB2.1 91 8.853 2.340 1 T 4.779e+05 0.00e+00 a 0 H.2 HG3.1 92 8.857 2.421 1 T 3.878e+05 0.00e+00 a 0 H.2 HG2.1 93 7.883 2.426 1 T 3.541e+06 0.00e+00 a 0 HZ1.15 HG2.1 94 7.883 2.341 1 T 2.521e+06 0.00e+00 a 0 HZ1.15 HG3.1 95 7.884 2.100 1 T 5.230e+05 0.00e+00 a 0 HZ1.15 HB3.1 96 4.112 2.105 1 T 4.126e+06 0.00e+00 a 0 HA.1 HB3.1 97 4.114 2.340 1 T 1.536e+05 0.00e+00 a 0 HA.1 HG3.1 98 4.110 2.426 1 T 5.494e+05 0.00e+00 a 0 HA.1 HG2.1 99 2.433 4.110 1 T 2.480e+05 0.00e+00 a 0 HG2.1 HA.1 100 2.342 4.114 1 T 5.446e+05 0.00e+00 a 0 HG3.1 HA.1 101 2.101 4.114 1 T 4.453e+06 0.00e+00 a 0 HB3.1 HA.1 102 4.115 3.057 1 T 6.642e+05 0.00e+00 a 0 - - 103 4.239 4.244 1 T 1.319e+08 0.00e+00 a 0 - - 104 3.902 4.234 1 T 5.659e+04 0.00e+00 a 0 HD2.7 HA.7 105 3.843 4.237 1 T -3.820e+05 0.00e+00 a 0 HD3.7 HA.7 106 3.898 5.013 1 T 7.431e+06 0.00e+00 a 0 HD2.7 HA.6 107 3.862 5.013 1 T 6.971e+06 0.00e+00 a 0 HD3.7 HA.6 108 8.851 4.115 1 T 6.338e+06 0.00e+00 a 0 H.2 HA.1 109 8.029 4.882 1 T 5.548e+05 0.00e+00 a 0 H.6 HA.3 110 8.117 4.032 1 T 7.697e+05 0.00e+00 a 0 H.4 HA2.2 111 8.116 3.902 1 T 4.689e+05 0.00e+00 a 0 H.4 HA3.2 112 8.853 8.383 1 T 2.901e+05 0.00e+00 a 0 H.2 H.3 113 8.117 3.553 1 T 3.339e+05 0.00e+00 a 0 H.4 HB2.3 114 3.554 3.007 1 T 1.090e+07 0.00e+00 a 0 HB2.3 HB3.3 115 3.006 3.553 1 T 1.393e+07 0.00e+00 a 0 HB3.3 HB2.3 116 3.549 4.888 1 T 1.469e+06 0.00e+00 a 0 HB2.3 HA.3 117 2.996 4.881 1 T 2.319e+06 0.00e+00 a 0 HB3.3 HA.3 118 8.385 8.117 1 T 1.694e+06 0.00e+00 a 0 H.3 H.4 119 7.847 4.336 1 T 3.489e+05 0.00e+00 a 0 H.9 HA.4 120 7.848 3.109 1 T 1.393e+06 0.00e+00 a 0 H.9 HB2.6 121 4.331 3.115 1 T 1.348e+06 0.00e+00 a 0 - - 122 4.331 3.060 1 T 1.294e+06 0.00e+00 a 0 - - 123 3.432 4.335 1 T 3.629e+05 0.00e+00 a 0 HB2.9 HA.4 124 3.399 4.335 1 T 3.305e+05 0.00e+00 a 0 HB2.9 HA.4 125 1.094 3.107 1 T 7.694e+05 0.00e+00 a 0 QG2.5 HB2.6 126 1.093 3.058 1 T 6.320e+05 0.00e+00 a 0 QG2.5 - 127 8.282 4.231 1 T 1.850e+06 0.00e+00 a 0 H.8 HA.7 128 8.037 3.890 1 T 3.345e+05 0.00e+00 a 0 H.5 HA3.2 129 8.116 1.094 1 T 2.782e+05 0.00e+00 a 0 H.4 QG2.5 130 7.438 1.091 1 T 6.276e+05 0.00e+00 a 0 - QG2.5 131 7.214 1.091 1 T 4.731e+05 0.00e+00 a 0 - QG2.5 132 3.107 1.095 1 T 7.105e+05 0.00e+00 a 0 HB2.6 QG2.5 133 3.065 1.090 1 T 7.084e+05 0.00e+00 a 0 - QG2.5 134 1.104 2.318 1 T 2.839e+05 0.00e+00 a 0 QG2.5 HB2.7 135 1.101 2.105 1 T 2.702e+05 0.00e+00 a 0 QG2.5 - 136 3.061 4.229 1 T 4.614e+05 0.00e+00 a 0 - HA.7 137 8.280 5.012 1 T 4.218e+05 0.00e+00 a 0 H.8 HA.6 138 8.282 2.659 1 T 3.784e+05 0.00e+00 a 0 H.8 HB3.6 139 7.849 2.657 1 T 3.640e+05 0.00e+00 a 0 H.9 HB3.6 140 5.022 2.658 1 T 4.547e+05 0.00e+00 a 0 HA.6 HB3.6 141 5.022 3.117 1 T 7.652e+05 0.00e+00 a 0 HA.6 HB2.6 142 1.983 5.008 1 T 4.083e+05 0.00e+00 a 0 HG2.7 HA.6 144 2.656 4.880 1 T 3.275e+05 0.00e+00 a 0 HB3.6 HA.3 145 3.110 4.876 1 T 6.956e+05 0.00e+00 a 0 HB2.6 HA.3 146 2.656 3.863 1 T 3.173e+05 0.00e+00 a 0 HB3.6 HD3.7 147 3.107 3.865 1 T 6.940e+05 0.00e+00 a 0 HB2.6 HD3.7 148 3.115 3.412 1 T 1.562e+06 0.00e+00 a 0 - - 149 3.114 3.552 1 T 9.545e+05 0.00e+00 a 0 - - 150 2.656 3.552 1 T 5.676e+05 0.00e+00 a 0 HB3.6 HB2.3 151 2.656 3.417 1 T 5.699e+05 0.00e+00 a 0 HB3.6 HB2.9 152 2.655 3.116 1 T 1.006e+07 0.00e+00 a 0 HB3.6 HB2.6 153 3.112 2.656 1 T 1.314e+07 0.00e+00 a 0 HB2.6 HB3.6 154 2.328 3.858 1 T 5.109e+05 0.00e+00 a 0 HB2.7 HD3.7 155 2.328 3.905 1 T 6.496e+05 0.00e+00 a 0 HB2.7 HD2.7 156 1.978 3.860 1 T 4.693e+06 0.00e+00 a 0 HG2.7 HD3.7 157 1.978 3.904 1 T 4.309e+06 0.00e+00 a 0 HG2.7 HD2.7 158 1.879 3.858 1 T 1.187e+06 0.00e+00 a 0 HB3.7 HD3.7 159 1.878 3.904 1 T 8.713e+05 0.00e+00 a 0 HB3.7 HD2.7 160 2.324 4.239 1 T 4.254e+06 0.00e+00 a 0 HB2.7 HA.7 161 1.980 4.238 1 T 1.914e+06 0.00e+00 a 0 HG2.7 HA.7 162 1.879 4.234 1 T 8.995e+05 0.00e+00 a 0 HB3.7 HA.7 163 1.708 4.233 1 T 5.320e+05 0.00e+00 a 0 - HA.7 165 1.986 2.328 1 T 4.454e+06 0.00e+00 a 0 HG2.7 HB2.7 166 1.878 2.328 1 T 1.235e+07 0.00e+00 a 0 HB3.7 HB2.7 167 5.019 3.901 1 T 1.266e+06 0.00e+00 a 0 HA.6 HD2.7 168 5.016 3.861 1 T 1.122e+06 0.00e+00 a 0 HA.6 HD3.7 169 8.279 3.905 1 T 6.577e+05 0.00e+00 a 0 H.8 HD2.7 170 8.281 3.859 1 T 1.481e+06 0.00e+00 a 0 H.8 HD3.7 171 8.282 2.322 1 T 3.037e+05 0.00e+00 a 0 H.8 HB2.7 172 8.282 1.982 1 T 9.804e+05 0.00e+00 a 0 H.8 HG3.7 173 8.279 1.880 1 T 1.429e+06 0.00e+00 a 0 H.8 HB3.7 174 7.537 1.879 1 T 2.045e+05 0.00e+00 a 0 HD2.11 HB2.12 175 7.038 1.880 1 T 3.268e+05 0.00e+00 a 0 HE.10 HB2.12 176 7.032 4.238 1 T 4.765e+05 0.00e+00 a 0 - - 177 7.847 4.232 1 T 7.733e+05 0.00e+00 a 0 H.9 HA.7 178 8.281 8.069 1 T 3.664e+05 0.00e+00 a 0 - - 179 8.282 7.847 1 T 4.123e+06 0.00e+00 a 0 H.8 H.9 180 7.849 1.550 1 T 4.787e+05 0.00e+00 a 0 H.9 HG2.8 181 7.849 1.692 1 T 9.542e+05 0.00e+00 a 0 H.9 HB3.8 182 7.847 1.838 1 T 4.808e+05 0.00e+00 a 0 H.9 HB2.8 183 1.688 4.147 1 T 1.646e+06 0.00e+00 a 0 HB3.8 HA.8 184 1.548 4.148 1 T 2.559e+06 0.00e+00 a 0 HG2.8 HA.8 185 1.839 4.147 1 T 3.444e+06 0.00e+00 a 0 HB2.8 HA.8 186 1.839 3.119 1 T 8.153e+05 0.00e+00 a 0 HB2.8 HD2.8 187 1.688 3.114 1 T 1.132e+06 0.00e+00 a 0 HB3.8 HD3.8 188 1.552 3.111 1 T 5.025e+06 0.00e+00 a 0 HG3.8 HD3.8 189 1.688 1.841 1 T 3.248e+07 0.00e+00 a 0 HB3.8 HB2.8 190 1.550 1.841 1 T 1.182e+07 0.00e+00 a 0 HG3.8 HB2.8 191 3.114 1.550 1 T 3.750e+06 0.00e+00 a 0 HD3.8 HG3.8 192 3.117 1.687 1 T 1.073e+06 0.00e+00 a 0 HD3.8 HB3.8 193 3.117 1.838 1 T 9.861e+05 0.00e+00 a 0 HD2.8 HB2.8 194 7.537 4.573 1 T 2.304e+06 0.00e+00 a 0 HD2.11 HA.11 194 7.537 4.573 1 T 2.304e+06 0.00e+00 a 0 HN.11 HA.11 195 8.007 3.413 1 T 4.591e+05 0.00e+00 a 0 H.10 HB2.9 196 8.010 2.953 1 T 2.468e+06 0.00e+00 a 0 H.12 HB3.11 197 7.537 2.961 1 T 5.308e+06 0.00e+00 a 0 HD2.11 HB2.11 198 3.411 4.578 1 T 2.688e+06 0.00e+00 a 0 HB2.9 HA.9 199 2.951 4.576 1 T 6.660e+06 0.00e+00 a 0 HB3.9 HA.9 200 2.954 3.411 1 T 1.537e+07 0.00e+00 a 0 HB3.9 HB2.9 201 3.421 2.948 1 T 1.756e+07 0.00e+00 a 0 HB2.9 HB3.9 202 7.016 2.948 1 T 4.184e+06 0.00e+00 a 0 HD1.11 HB2.11 204 7.533 4.109 1 T 5.460e+05 0.00e+00 a 0 HD2.11 HA.10 205 7.503 1.706 1 T 7.027e+05 0.00e+00 a 0 HN.11 HB2.10 206 7.538 7.017 1 T 4.460e+05 0.00e+00 a 0 HN.11 HD1.11 206 7.538 7.017 1 T 4.460e+05 0.00e+00 a 0 HD2.11 HD1.11 207 7.539 6.838 1 T -8.081e+04 0.00e+00 a 0 HN.11 HE2.11 207 7.539 6.838 1 T -8.081e+04 0.00e+00 a 0 HD2.11 HE2.11 208 7.015 6.836 1 T 2.935e+07 0.00e+00 a 0 HD1.11 HE2.11 209 7.538 2.077 1 T 8.571e+04 0.00e+00 a 0 HD2.11 HG3.12 210 7.036 2.147 1 T 1.890e+05 0.00e+00 a 0 HE.10 HG2.12 211 7.538 4.191 1 T 3.132e+05 0.00e+00 a 0 HD2.11 HA.12 212 7.036 4.193 1 T 4.225e+05 0.00e+00 a 0 - - 214 7.539 1.704 1 T 6.046e+05 0.00e+00 a 0 HD2.11 HB2.10 215 7.536 1.444 1 T 3.424e+05 0.00e+00 a 0 HD2.11 HG2.10 216 7.538 1.379 1 T 4.702e+05 0.00e+00 a 0 HD2.11 HG3.10 217 1.883 2.147 1 T 4.360e+06 0.00e+00 a 0 - - 218 1.878 2.078 1 T 4.524e+06 0.00e+00 a 0 - - 219 8.153 1.877 1 T 7.473e+05 0.00e+00 a 0 H.13 HB2.12 220 8.114 1.882 1 T 3.877e+05 0.00e+00 a 0 H.14 HB3.12 221 8.109 2.078 1 T 2.910e+05 0.00e+00 a 0 H.14 HG3.12 222 3.057 4.572 1 T 6.422e+06 0.00e+00 a 0 HB2.13 HA.13 223 2.999 4.572 1 T 5.190e+06 0.00e+00 a 0 HB3.13 HA.13 224 7.945 2.832 1 T 6.133e+05 0.00e+00 a 0 H.15 HB3.14 225 7.038 4.592 1 T 2.670e+06 0.00e+00 a 0 QD.14 HA.14 226 7.038 3.015 1 T 4.243e+06 0.00e+00 a 0 QD.14 HB2.14 227 7.038 2.831 1 T 2.945e+06 0.00e+00 a 0 QD.14 HB3.14 228 8.109 7.045 1 T 7.031e+05 0.00e+00 a 0 H.14 QD.14 229 6.840 4.589 1 T 4.835e+05 0.00e+00 a 0 - HA.14 230 6.838 2.949 1 T 4.036e+05 0.00e+00 a 0 HE2.11 HB2.11 231 6.836 7.041 1 T 3.142e+07 0.00e+00 a 0 - - 232 2.833 4.591 1 T 1.419e+06 0.00e+00 a 0 HB3.14 HA.14 233 3.013 4.591 1 T 6.908e+06 0.00e+00 a 0 HB2.14 HA.14 234 3.014 2.831 1 T 5.191e+07 0.00e+00 a 0 HB2.14 HB3.14 235 8.108 7.948 1 T 2.543e+06 0.00e+00 a 0 H.14 H.15 236 3.101 4.284 1 T 4.165e+05 0.00e+00 a 0 HE2.15 HA.15 237 3.014 4.285 1 T 3.663e+05 0.00e+00 a 0 HE3.15 HA.15 238 1.780 4.283 1 T 1.329e+06 0.00e+00 a 0 HB2.15 HA.15 239 1.609 4.283 1 T 1.223e+06 0.00e+00 a 0 HB3.15 HA.15 240 1.385 4.283 1 T 9.905e+05 0.00e+00 a 0 HD3.15 HA.15 241 1.204 4.283 1 T 7.052e+05 0.00e+00 a 0 HG3.15 HA.15 242 1.207 3.101 1 T 8.726e+05 0.00e+00 a 0 HG2.15 HE2.15 243 1.202 3.014 1 T 7.663e+05 0.00e+00 a 0 HG3.15 HE3.15 244 1.384 3.017 1 T 3.257e+06 0.00e+00 a 0 HD3.15 HE3.15 245 1.383 3.105 1 T 2.815e+06 0.00e+00 a 0 HD3.15 HE2.15 246 1.609 3.105 1 T 3.337e+05 0.00e+00 a 0 HB3.15 HE2.15 247 2.101 3.103 1 T 4.251e+05 0.00e+00 a 0 - - 248 1.202 1.782 1 T 2.556e+06 0.00e+00 a 0 HG2.15 HB2.15 249 1.384 1.779 1 T 3.304e+05 0.00e+00 a 0 HD2.15 HB2.15 250 1.610 1.780 1 T 3.485e+07 0.00e+00 a 0 HB3.15 HB2.15 251 1.199 1.611 1 T 2.442e+06 0.00e+00 a 0 HG2.15 HB3.15 252 1.202 1.381 1 T 2.027e+07 0.00e+00 a 0 HG3.15 HD3.15 253 1.383 1.609 1 T 1.868e+06 0.00e+00 a 0 HD2.15 HB3.15 254 3.103 1.203 1 T 1.133e+06 0.00e+00 a 0 - HG2.15 255 3.012 1.202 1 T 1.261e+06 0.00e+00 a 0 HE3.15 HG3.15 256 3.103 1.388 1 T 2.590e+06 0.00e+00 a 0 - HD2.15 257 3.015 1.385 1 T 3.425e+06 0.00e+00 a 0 HE3.15 HD3.15 258 3.103 1.608 1 T 6.547e+05 0.00e+00 a 0 - HB3.15 259 3.014 1.610 1 T 3.218e+05 0.00e+00 a 0 HE3.15 HB3.15 260 3.019 1.782 1 T 3.381e+05 0.00e+00 a 0 HE3.15 HB2.15 261 3.104 1.783 1 T 5.883e+05 0.00e+00 a 0 - HB2.15 262 2.422 2.110 1 T 7.756e+06 0.00e+00 a 0 HG2.1 HB2.1 263 2.343 2.110 1 T 1.349e+07 0.00e+00 a 0 HG3.1 HB3.1 264 2.432 3.096 1 T 3.465e+05 0.00e+00 a 0 - - 265 2.351 3.107 1 T 4.111e+05 0.00e+00 a 0 - - 266 3.060 4.112 1 T 9.001e+05 0.00e+00 a 0 HD3.10 HA.10 267 1.705 4.108 1 T 5.316e+06 0.00e+00 a 0 HB2.10 HA.10 268 1.444 4.108 1 T 6.524e+05 0.00e+00 a 0 HG2.10 HA.10 269 1.388 4.105 1 T 5.915e+05 0.00e+00 a 0 HG3.10 HA.10 270 1.443 3.979 1 T 9.074e+05 0.00e+00 a 0 - - 271 1.096 3.979 1 T 1.278e+06 0.00e+00 a 0 QG2.5 - 272 1.129 4.037 1 T 5.088e+05 0.00e+00 a 0 - - 273 1.186 3.982 1 T 5.472e+05 0.00e+00 a 0 - - 274 0.692 3.978 1 T 7.394e+05 0.00e+00 a 0 - - 275 1.705 3.061 1 T 2.160e+06 0.00e+00 a 0 HB2.10 HD2.10 276 1.439 3.059 1 T 3.402e+06 0.00e+00 a 0 HG2.10 HD2.10 277 1.390 3.061 1 T 3.543e+06 0.00e+00 a 0 HG3.10 HD3.10 278 1.446 1.708 1 T 1.012e+07 0.00e+00 a 0 HG3.10 HB2.10 279 1.385 1.710 1 T 3.230e+06 0.00e+00 a 0 HG3.10 HB3.10 280 3.065 1.708 1 T 2.306e+06 0.00e+00 a 0 HD3.10 HB3.10 281 3.065 1.444 1 T 4.377e+06 0.00e+00 a 0 HD2.10 HG2.10 282 3.065 1.390 1 T 3.457e+06 0.00e+00 a 0 HD2.10 HG3.10 283 4.108 1.447 1 T 7.464e+05 0.00e+00 a 0 - - 284 4.106 1.390 1 T 7.147e+05 0.00e+00 a 0 - - 285 4.104 1.703 1 T 4.578e+06 0.00e+00 a 0 - - 286 0.697 1.443 1 T 4.299e+05 0.00e+00 a 0 - - 287 3.899 4.033 1 T 4.952e+07 0.00e+00 a 0 HA3.2 HA2.2 288 7.432 7.216 1 T 3.205e+06 0.00e+00 a 0 - - 289 1.551 1.689 1 T 3.452e+07 0.00e+00 a 0 HG3.8 HB3.8 290 8.009 7.851 1 T 2.444e+06 0.00e+00 a 0 H.10 H.9 291 4.283 1.201 1 T 2.693e+05 0.00e+00 a 0 HA.15 HG2.15 292 4.284 1.385 1 T 5.439e+05 0.00e+00 a 0 HA.15 HD3.15 293 4.283 1.612 1 T 1.838e+05 0.00e+00 a 0 HA.15 HB3.15 294 4.284 1.782 1 T 2.763e+05 0.00e+00 a 0 HA.15 HB2.15 295 1.782 1.201 1 T 2.129e+06 0.00e+00 a 0 HB2.15 HG2.15 296 1.620 1.198 1 T 2.964e+06 0.00e+00 a 0 HB3.15 HG3.15 297 1.782 1.384 1 T 8.341e+05 0.00e+00 a 0 HB2.15 HD2.15 298 1.620 1.383 1 T 2.776e+06 0.00e+00 a 0 HB3.15 HD2.15 299 1.781 1.610 1 T 4.231e+07 0.00e+00 a 0 HB2.15 HB3.15 300 1.382 1.198 1 T 2.467e+07 0.00e+00 a 0 HD3.15 HG3.15 301 7.953 1.780 1 T 6.229e+05 0.00e+00 a 0 - - 303 1.782 3.102 1 T 3.988e+05 0.00e+00 a 0 HB2.15 HE2.15 304 2.107 2.427 1 T 6.876e+06 0.00e+00 a 0 HB3.1 HG2.1 305 2.831 3.015 1 T 4.730e+07 0.00e+00 a 0 HB3.14 HB2.14 306 6.726 2.837 1 T 3.039e+05 0.00e+00 a 0 QE.14 HB3.14 307 6.724 3.004 1 T 5.528e+05 0.00e+00 a 0 QE.14 HB2.14 308 7.039 6.733 1 T 1.508e+07 0.00e+00 a 0 QD.14 QE.14 309 6.725 4.590 1 T 3.734e+05 0.00e+00 a 0 QE.14 HA.14 310 7.018 4.576 1 T 1.982e+06 0.00e+00 a 0 HD1.11 HA.11 ; 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 . aliased 11.9045 ppm . . . 4.76 . . 31148 1 2 . . H 1 H . aliased 11.9045 ppm . . . 4.76 . . 31148 1 stop_ save_