######################### # 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 30666 _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 #INAME 1 H #INAME 2 H #CYANAFORMAT HH 1 7.361 1.920 1 T 3.766e+04 0.00e+00 a 0 HE.2 HB3.2 2 7.361 1.971 1 T 8.172e+04 0.00e+00 a 0 HE.2 HB2.2 3 7.356 3.199 1 T 7.071e+05 0.00e+00 a 0 HE.2 HD3.2 3 7.356 3.199 1 T 7.071e+05 0.00e+00 a 0 HE.2 HD2.2 4 7.685 3.794 1 T 3.682e+05 0.00e+00 a 0 H.2 HA3.1 5 7.683 4.355 1 T 4.729e+05 0.00e+00 a 0 H.2 HA2.1 6 7.688 4.488 1 T 9.237e+05 0.00e+00 a 0 H.2 HA.2 7 8.504 4.358 1 T 1.231e+06 0.00e+00 a 0 H.1 HA2.1 8 8.504 3.794 1 T 1.952e+06 0.00e+00 a 0 H.1 HA3.1 11 8.554 5.829 1 T 1.744e+06 0.00e+00 a 0 H.3 HA.3 12 8.559 4.487 1 T 5.036e+06 0.00e+00 a 0 H.3 HA.2 13 9.192 5.827 1 T 4.958e+06 0.00e+00 a 0 H.4 HA.3 14 9.192 4.526 1 T 6.539e+05 0.00e+00 a 0 H.4 HA.4 15 9.192 4.598 1 T 3.884e+05 0.00e+00 a 0 H.4 HB.4 16 9.191 5.412 1 T 5.320e+05 0.00e+00 a 0 H.4 HA.11 17 8.814 5.828 1 T 6.094e+05 0.00e+00 a 0 H.12 HA.3 18 8.584 4.529 1 T 5.304e+06 0.00e+00 a 0 H.5 HA.5 19 8.586 2.069 1 T 4.010e+05 0.00e+00 a 0 H.5 HB2.5 20 8.586 1.450 1 T 1.186e+05 0.00e+00 a 0 H.5 HG3.5 21 8.586 1.711 1 T 1.592e+06 0.00e+00 a 0 H.5 HD3.5 21 8.586 1.711 1 T 1.592e+06 0.00e+00 a 0 H.5 HD2.5 22 7.369 4.542 1 T 8.684e+05 0.00e+00 a 0 H.6 HA.5 23 7.370 4.414 1 T 1.394e+06 0.00e+00 a 0 H.6 HA.6 24 7.370 3.934 1 T 2.453e+05 0.00e+00 a 0 H.6 HB2.6 25 7.369 3.823 1 T 5.016e+05 0.00e+00 a 0 H.6 HB3.6 26 8.261 4.412 1 T 2.656e+06 0.00e+00 a 0 H.7 HA.6 27 8.260 1.824 1 T 1.511e+06 0.00e+00 a 0 H.7 HB.7 28 8.260 1.487 1 T 3.562e+05 0.00e+00 a 0 H.7 HG13.7 29 8.261 1.102 1 T 1.875e+05 0.00e+00 a 0 H.7 HG12.7 30 8.260 0.865 1 T 2.736e+05 0.00e+00 a 0 H.7 QD1.7 30 8.260 0.865 1 T 2.736e+05 0.00e+00 a 0 H.7 QG2.7 31 5.119 4.317 1 T 7.392e+05 0.00e+00 a 0 HA.8 HA.7 32 3.567 5.117 1 T 2.144e+05 0.00e+00 a 0 HD2.8 HA.8 32 3.567 5.117 1 T 2.144e+05 0.00e+00 a 0 HD3.8 HA.8 33 3.582 2.466 1 T 2.638e+05 0.00e+00 a 0 HD2.8 HB2.8 34 3.561 2.466 1 T 2.549e+05 0.00e+00 a 0 HD3.8 HB2.8 35 3.592 1.981 1 T 1.913e+06 0.00e+00 a 0 HD2.8 HG2.8 36 3.562 1.986 1 T 1.373e+06 0.00e+00 a 0 HD3.8 HG2.8 37 3.580 1.861 1 T 1.885e+06 0.00e+00 a 0 HD3.8 HG3.8 37 3.580 1.861 1 T 1.885e+06 0.00e+00 a 0 HD2.8 HG3.8 38 5.116 2.046 1 T 2.025e+05 0.00e+00 a 0 HA.8 HB3.8 39 3.578 2.047 1 T 2.405e+05 0.00e+00 a 0 HD3.8 HB3.8 39 3.578 2.047 1 T 2.405e+05 0.00e+00 a 0 HD2.8 HB3.8 40 5.106 2.465 1 T 5.348e+05 0.00e+00 a 0 HA.8 HB2.8 41 4.315 5.118 1 T 1.231e+06 0.00e+00 a 0 HA.7 HA.8 42 3.824 5.119 1 T 3.183e+06 0.00e+00 a 0 HD2.9 HA.8 43 3.704 5.118 1 T 2.210e+06 0.00e+00 a 0 HD3.9 HA.8 44 5.120 3.827 1 T 5.943e+05 0.00e+00 a 0 HA.8 HD2.9 45 5.120 3.704 1 T 3.075e+05 0.00e+00 a 0 HA.8 HD3.9 46 3.822 1.842 1 T 2.016e+05 0.00e+00 a 0 HD2.9 HB3.9 47 3.704 1.844 1 T 3.464e+05 0.00e+00 a 0 HD3.9 HB3.9 48 3.704 2.460 1 T 5.002e+05 0.00e+00 a 0 HD3.9 HB2.9 49 3.823 2.447 1 T 4.317e+05 0.00e+00 a 0 HD2.9 HB2.9 50 4.214 1.848 1 T -3.756e+05 0.00e+00 a 0 HA.9 HB3.9 51 4.215 2.444 1 T 2.333e+06 0.00e+00 a 0 HA.9 HB2.9 52 7.741 4.216 1 T 4.739e+06 0.00e+00 a 0 H.10 HA.9 53 7.743 4.511 1 T 8.507e+05 0.00e+00 a 0 H.10 HA.10 54 7.742 1.507 1 T 2.891e+05 0.00e+00 a 0 H.10 QG2.4 55 7.741 1.846 1 T 3.251e+05 0.00e+00 a 0 H.10 HB3.9 56 7.741 1.688 1 T 1.617e+06 0.00e+00 a 0 H.10 HB2.10 57 8.631 5.416 1 T 1.679e+06 0.00e+00 a 0 H.11 HA.11 58 8.625 4.503 1 T 4.944e+06 0.00e+00 a 0 H.11 HA.10 59 8.626 2.943 1 T 3.442e+05 0.00e+00 a 0 H.11 HB2.11 60 8.626 2.860 1 T 1.393e+06 0.00e+00 a 0 H.11 HB3.11 61 8.814 5.412 1 T 5.759e+06 0.00e+00 a 0 H.12 HA.11 62 8.804 4.927 1 T 5.677e+05 0.00e+00 a 0 H.12 HA.12 63 8.814 3.418 1 T 3.905e+05 0.00e+00 a 0 H.12 HB2.12 64 8.814 3.022 1 T 2.413e+06 0.00e+00 a 0 H.12 HB3.12 65 4.083 4.929 1 T 4.040e+06 0.00e+00 a 0 HD3.13 HA.12 66 7.912 4.589 1 T 1.184e+06 0.00e+00 a 0 H.14 HA.14 67 7.914 3.238 1 T 3.083e+05 0.00e+00 a 0 H.14 HB2.14 68 7.914 2.896 1 T 1.340e+06 0.00e+00 a 0 H.14 HB3.14 69 8.260 3.936 1 T 1.748e+06 0.00e+00 a 0 H.7 HB2.6 70 8.259 3.823 1 T 4.641e+05 0.00e+00 a 0 H.7 HB3.6 71 9.192 1.508 1 T 1.373e+06 0.00e+00 a 0 H.4 QG2.4 72 4.080 2.481 1 T 2.154e+05 0.00e+00 a 0 HD3.13 HB2.13 72 4.080 2.481 1 T 2.154e+05 0.00e+00 a 0 HD2.13 HB2.13 73 2.489 4.088 1 T 3.310e+05 0.00e+00 a 0 HB2.13 HD3.13 73 2.489 4.088 1 T 3.310e+05 0.00e+00 a 0 HB2.13 HD2.13 74 2.233 4.079 1 T 2.531e+06 0.00e+00 a 0 HG2.13 HD3.13 74 2.233 4.079 1 T 2.531e+06 0.00e+00 a 0 HG2.13 HD2.13 75 2.112 4.075 1 T 1.290e+06 0.00e+00 a 0 HG3.13 HD3.13 75 2.112 4.075 1 T 1.290e+06 0.00e+00 a 0 HG3.13 HD2.13 76 2.035 4.076 1 T 1.010e+06 0.00e+00 a 0 HB3.13 HD3.13 76 2.035 4.076 1 T 1.010e+06 0.00e+00 a 0 HB3.13 HD2.13 77 2.490 4.438 1 T 1.458e+06 0.00e+00 a 0 HB2.13 HA.13 78 2.233 4.439 1 T 2.348e+05 0.00e+00 a 0 HG2.13 HA.13 79 2.113 4.438 1 T 3.536e+05 0.00e+00 a 0 HG3.13 HA.13 80 2.017 4.434 1 T 4.558e+05 0.00e+00 a 0 HB3.13 HA.13 81 7.914 4.439 1 T 4.796e+05 0.00e+00 a 0 H.14 HA.13 82 7.914 4.079 1 T 5.648e+05 0.00e+00 a 0 H.14 HD2.13 82 7.914 4.079 1 T 5.648e+05 0.00e+00 a 0 H.14 HD3.13 83 5.828 5.412 1 T 4.256e+06 0.00e+00 a 0 HA.3 HA.11 84 5.413 5.828 1 T 2.747e+06 0.00e+00 a 0 HA.11 HA.3 85 5.818 3.143 1 T 7.497e+05 0.00e+00 a 0 HA.3 HB2.3 86 8.559 3.141 1 T 1.483e+06 0.00e+00 a 0 H.3 HB2.3 87 8.558 2.912 1 T 3.489e+05 0.00e+00 a 0 H.3 HB3.3 88 2.469 5.117 1 T 1.328e+06 0.00e+00 a 0 HB2.8 HA.8 89 2.043 5.116 1 T 8.097e+05 0.00e+00 a 0 HB3.8 HA.8 90 1.869 5.116 1 T 1.817e+05 0.00e+00 a 0 HG3.8 HA.8 91 9.192 2.906 1 T 1.199e+06 0.00e+00 a 0 H.4 HB3.3 92 9.191 3.132 1 T 2.401e+05 0.00e+00 a 0 H.4 HB2.3 93 9.191 1.688 1 T 2.297e+05 0.00e+00 a 0 H.4 HB3.10 93 9.191 1.688 1 T 2.297e+05 0.00e+00 a 0 H.4 HB2.10 94 9.192 7.741 1 T 1.202e+06 0.00e+00 a 0 H.4 H.10 95 8.814 2.947 1 T 1.151e+06 0.00e+00 a 0 H.12 HB2.11 96 8.814 2.870 1 T 2.777e+05 0.00e+00 a 0 H.12 HB3.11 97 8.629 1.687 1 T 3.843e+05 0.00e+00 a 0 H.11 HB3.10 97 8.629 1.687 1 T 3.843e+05 0.00e+00 a 0 H.11 HB2.10 98 8.585 4.607 1 T 2.197e+06 0.00e+00 a 0 H.5 HB.4 99 8.585 1.515 1 T 3.439e+05 0.00e+00 a 0 H.5 QG2.4 100 8.559 1.920 1 T 5.173e+05 0.00e+00 a 0 H.3 HB3.2 101 8.559 1.611 1 T 2.707e+05 0.00e+00 a 0 H.3 HG2.2 102 8.507 4.585 1 T 4.950e+05 0.00e+00 a 0 H.1 HA.14 103 8.506 7.686 1 T 1.472e+06 0.00e+00 a 0 H.1 H.2 104 8.506 7.915 1 T 1.209e+06 0.00e+00 a 0 H.1 H.14 105 8.585 7.367 1 T 7.439e+05 0.00e+00 a 0 H.5 H.6 106 8.812 7.330 1 T 3.916e+05 0.00e+00 a 0 H.12 QD.12 107 8.817 7.683 1 T 2.313e+05 0.00e+00 a 0 H.12 H.2 108 8.250 4.317 1 T 6.755e+05 0.00e+00 a 0 H.7 HA.7 109 7.914 3.420 1 T 8.537e+05 0.00e+00 a 0 H.14 HB2.12 110 7.913 3.023 1 T 6.919e+05 0.00e+00 a 0 H.14 HB3.12 111 7.914 2.030 1 T 5.685e+05 0.00e+00 a 0 H.14 HB3.13 112 7.914 8.505 1 T 1.475e+06 0.00e+00 a 0 H.14 H.1 113 7.741 9.193 1 T 1.212e+06 0.00e+00 a 0 H.10 H.4 114 7.739 2.444 1 T 2.928e+05 0.00e+00 a 0 H.10 HB2.9 115 7.686 3.024 1 T 3.920e+05 0.00e+00 a 0 H.2 HB3.12 116 7.686 1.976 1 T 1.483e+06 0.00e+00 a 0 H.2 HB2.2 117 7.687 1.920 1 T 6.996e+05 0.00e+00 a 0 H.2 HB3.2 118 7.685 1.611 1 T 6.805e+05 0.00e+00 a 0 H.2 HG2.2 118 7.685 1.611 1 T 6.805e+05 0.00e+00 a 0 H.2 HG3.2 119 7.684 8.506 1 T 1.634e+06 0.00e+00 a 0 H.2 H.1 120 7.687 8.816 1 T 3.219e+05 0.00e+00 a 0 H.2 H.12 121 7.367 4.607 1 T 6.263e+05 0.00e+00 a 0 H.6 HB.4 122 7.367 4.215 1 T 4.370e+05 0.00e+00 a 0 H.6 HA.9 123 7.330 3.419 1 T 8.146e+05 0.00e+00 a 0 QD.12 HB2.12 124 7.330 3.025 1 T 1.297e+06 0.00e+00 a 0 QD.12 HB3.12 125 7.329 4.082 1 T 6.153e+05 0.00e+00 a 0 QD.12 HD3.13 125 7.329 4.082 1 T 6.153e+05 0.00e+00 a 0 QD.12 HD2.13 126 7.332 4.933 1 T 3.915e+05 0.00e+00 a 0 QD.12 HA.12 127 7.325 5.817 1 T 1.778e+05 0.00e+00 a 0 QD.12 HA.3 128 7.329 5.406 1 T 1.992e+05 0.00e+00 a 0 QD.12 HA.11 129 7.326 1.502 1 T 2.402e+05 0.00e+00 a 0 QD.12 QG2.4 130 7.283 3.021 1 T 2.198e+05 0.00e+00 a 0 QE.12 HB3.12 131 7.281 1.507 1 T 6.397e+05 0.00e+00 a 0 QE.12 QG2.4 132 7.282 1.687 1 T 2.225e+05 0.00e+00 a 0 QE.12 HB2.10 132 7.282 1.687 1 T 2.225e+05 0.00e+00 a 0 QE.12 HB3.10 133 7.329 1.972 1 T 2.106e+05 0.00e+00 a 0 QD.12 HB2.2 134 7.229 1.509 1 T 3.262e+05 0.00e+00 a 0 HZ.12 QG2.4 135 7.328 8.812 1 T 6.292e+05 0.00e+00 a 0 QD.12 H.12 136 7.368 8.587 1 T 8.411e+05 0.00e+00 a 0 H.6 H.5 137 7.282 9.201 1 T 2.128e+05 0.00e+00 a 0 QE.12 H.4 138 5.826 2.906 1 T 9.271e+05 0.00e+00 a 0 HA.3 HB3.3 139 5.418 2.951 1 T 1.369e+05 0.00e+00 a 0 HA.11 HB2.11 140 5.411 2.857 1 T 9.314e+05 0.00e+00 a 0 HA.11 HB3.11 141 5.837 8.560 1 T 1.565e+06 0.00e+00 a 0 HA.3 H.3 142 5.827 8.814 1 T 4.391e+05 0.00e+00 a 0 HA.3 H.12 143 5.827 9.193 1 T 3.310e+06 0.00e+00 a 0 HA.3 H.4 144 5.401 8.624 1 T 1.417e+06 0.00e+00 a 0 HA.11 H.11 145 5.413 8.814 1 T 2.496e+06 0.00e+00 a 0 HA.11 H.12 146 5.412 9.192 1 T 2.330e+05 0.00e+00 a 0 HA.11 H.4 147 4.945 3.023 1 T 4.679e+05 0.00e+00 a 0 HA.12 HB3.12 148 3.928 4.413 1 T 1.273e+06 0.00e+00 a 0 HB2.6 HA.6 149 3.823 4.409 1 T 1.244e+06 0.00e+00 a 0 HB3.6 HA.6 150 4.420 3.936 1 T 3.787e+05 0.00e+00 a 0 - - 151 3.792 4.356 1 T 9.729e+06 0.00e+00 a 0 HA3.1 HA2.1 152 4.370 3.790 1 T 7.435e+06 0.00e+00 a 0 HA2.1 HA3.1 153 4.082 3.420 1 T 2.314e+06 0.00e+00 a 0 HD2.13 HB2.12 153 4.082 3.420 1 T 2.314e+06 0.00e+00 a 0 HD3.13 HB2.12 154 4.084 3.028 1 T 2.536e+05 0.00e+00 a 0 HD2.13 HB3.12 154 4.084 3.028 1 T 2.536e+05 0.00e+00 a 0 HD3.13 HB3.12 155 4.081 2.238 1 T 1.929e+06 0.00e+00 a 0 HD2.13 HG2.13 155 4.081 2.238 1 T 1.929e+06 0.00e+00 a 0 HD3.13 HG2.13 156 4.097 2.126 1 T 8.230e+05 0.00e+00 a 0 HD2.13 HG3.13 157 4.079 2.033 1 T 6.167e+05 0.00e+00 a 0 HD3.13 HB3.13 157 4.079 2.033 1 T 6.167e+05 0.00e+00 a 0 HD2.13 HB3.13 158 3.931 3.811 1 T 2.104e+07 0.00e+00 a 0 HB2.6 HB3.6 159 3.820 3.959 1 T 1.973e+07 0.00e+00 a 0 HB3.6 HB2.6 160 3.827 2.112 1 T 2.691e+06 0.00e+00 a 0 HD2.9 HG3.9 160 3.827 2.112 1 T 2.691e+06 0.00e+00 a 0 HD2.9 HG2.9 161 3.704 2.083 1 T 3.227e+06 0.00e+00 a 0 HD3.9 HG3.9 161 3.704 2.083 1 T 3.227e+06 0.00e+00 a 0 HD3.9 HG2.9 162 3.824 3.702 1 T 2.213e+07 0.00e+00 a 0 HD2.9 HD3.9 163 3.706 3.829 1 T 2.567e+07 0.00e+00 a 0 HD3.9 HD2.9 164 3.417 4.933 1 T 1.003e+06 0.00e+00 a 0 HB2.12 HA.12 165 3.419 4.078 1 T 2.588e+06 0.00e+00 a 0 HB2.12 HD3.13 165 3.419 4.078 1 T 2.588e+06 0.00e+00 a 0 HB2.12 HD2.13 166 3.417 3.023 1 T 4.831e+06 0.00e+00 a 0 HB2.12 HB3.12 167 3.241 4.580 1 T 5.465e+05 0.00e+00 a 0 HB2.14 HA.14 168 2.892 4.582 1 T 5.726e+05 0.00e+00 a 0 HB3.14 HA.14 169 2.892 3.240 1 T 6.170e+06 0.00e+00 a 0 HB3.14 HB2.14 170 3.242 2.890 1 T 4.320e+06 0.00e+00 a 0 HB2.14 HB3.14 171 4.316 0.864 1 T 3.861e+05 0.00e+00 a 0 HA.7 - 172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HD3.5 172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HB3.5 172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HD2.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD3.5 HE3.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD3.5 HE2.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HB3.5 HE3.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HB3.5 HE2.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD2.5 HE3.5 173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD2.5 HE2.5 174 1.541 3.042 1 T -4.462e+05 0.00e+00 a 0 HG2.5 HE2.5 174 1.541 3.042 1 T -4.462e+05 0.00e+00 a 0 HG2.5 HE3.5 175 1.446 3.042 1 T -3.748e+05 0.00e+00 a 0 HG3.5 HE3.5 175 1.446 3.042 1 T -3.748e+05 0.00e+00 a 0 HG3.5 HE2.5 176 3.201 1.983 1 T 2.859e+04 0.00e+00 a 0 HD2.2 HB2.2 176 3.201 1.983 1 T 2.859e+04 0.00e+00 a 0 HD3.2 HB2.2 177 3.199 1.921 1 T 1.061e+05 0.00e+00 a 0 HD3.2 HB3.2 177 3.199 1.921 1 T 1.061e+05 0.00e+00 a 0 HD2.2 HB3.2 178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD2.2 HG3.2 178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD2.2 HG2.2 178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD3.2 HG3.2 178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD3.2 HG2.2 179 3.121 2.904 1 T 1.633e+07 0.00e+00 a 0 HB2.3 HB3.3 180 2.914 3.136 1 T 2.168e+07 0.00e+00 a 0 HB3.3 HB2.3 181 3.094 1.328 1 T -4.947e+05 0.00e+00 a 0 HD3.10 HG3.10 181 3.094 1.328 1 T -4.947e+05 0.00e+00 a 0 HD2.10 HG3.10 182 3.096 1.446 1 T 2.532e+06 0.00e+00 a 0 HD3.10 HG2.10 182 3.096 1.446 1 T 2.532e+06 0.00e+00 a 0 HD2.10 HG2.10 183 3.137 5.825 1 T 2.822e+05 0.00e+00 a 0 HB2.3 HA.3 184 2.906 5.829 1 T 7.930e+05 0.00e+00 a 0 HB3.3 HA.3 185 2.946 5.416 1 T 6.455e+05 0.00e+00 a 0 HB2.11 HA.11 186 2.862 5.411 1 T 1.710e+06 0.00e+00 a 0 HB3.11 HA.11 187 3.022 4.939 1 T 2.913e+05 0.00e+00 a 0 HB3.12 HA.12 188 3.024 3.416 1 T 5.379e+06 0.00e+00 a 0 HB3.12 HB2.12 189 3.039 4.083 1 T 3.776e+05 0.00e+00 a 0 - - 190 3.025 4.080 1 T 3.680e+05 0.00e+00 a 0 HB3.12 HD2.13 190 3.025 4.080 1 T 3.680e+05 0.00e+00 a 0 HB3.12 HD3.13 191 2.442 4.216 1 T 1.803e+06 0.00e+00 a 0 HB2.9 HA.9 192 2.089 4.213 1 T 1.024e+05 0.00e+00 a 0 HG3.9 HA.9 193 1.849 4.213 1 T -8.537e+04 0.00e+00 a 0 HB3.9 HA.9 194 2.067 4.543 1 T 8.881e+05 0.00e+00 a 0 HB2.5 HA.5 195 1.966 4.484 1 T 5.884e+05 0.00e+00 a 0 HB2.2 HA.2 196 1.917 4.487 1 T 7.062e+05 0.00e+00 a 0 HB3.2 HA.2 197 1.611 4.489 1 T 5.922e+05 0.00e+00 a 0 HG3.2 HA.2 197 1.611 4.489 1 T 5.922e+05 0.00e+00 a 0 HG2.2 HA.2 198 1.915 3.199 1 T 2.143e+05 0.00e+00 a 0 HB3.2 HD3.2 198 1.915 3.199 1 T 2.143e+05 0.00e+00 a 0 HB3.2 HD2.2 199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG3.2 HD3.2 199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG3.2 HD2.2 199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG2.2 HD3.2 199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG2.2 HD2.2 200 1.903 1.616 1 T 5.201e+06 0.00e+00 a 0 HB3.2 HG3.2 200 1.903 1.616 1 T 5.201e+06 0.00e+00 a 0 HB3.2 HG2.2 201 1.627 1.916 1 T 5.752e+06 0.00e+00 a 0 HG3.2 HB3.2 201 1.627 1.916 1 T 5.752e+06 0.00e+00 a 0 HG2.2 HB3.2 202 2.445 3.828 1 T 4.062e+05 0.00e+00 a 0 HB2.9 HD2.9 203 2.460 3.704 1 T 3.998e+05 0.00e+00 a 0 HB2.9 HD3.9 204 2.113 3.826 1 T 2.231e+06 0.00e+00 a 0 HG2.9 HD2.9 205 1.847 3.828 1 T 2.507e+05 0.00e+00 a 0 HB3.9 HD2.9 206 1.850 3.704 1 T 4.345e+05 0.00e+00 a 0 HB3.9 HD3.9 208 2.106 3.701 1 T 1.353e+06 0.00e+00 a 0 HG2.9 HD3.9 208 2.106 3.701 1 T 1.353e+06 0.00e+00 a 0 HG3.9 HD3.9 209 2.472 3.568 1 T 3.371e+05 0.00e+00 a 0 HB2.8 HD2.8 209 2.472 3.568 1 T 3.371e+05 0.00e+00 a 0 HB2.8 HD3.8 210 2.045 3.581 1 T 2.487e+05 0.00e+00 a 0 HB3.8 HD3.8 210 2.045 3.581 1 T 2.487e+05 0.00e+00 a 0 HB3.8 HD2.8 211 1.979 3.581 1 T 2.633e+06 0.00e+00 a 0 HG2.8 HD3.8 211 1.979 3.581 1 T 2.633e+06 0.00e+00 a 0 HG2.8 HD2.8 212 1.859 3.581 1 T 2.091e+06 0.00e+00 a 0 HG3.8 HD2.8 212 1.859 3.581 1 T 2.091e+06 0.00e+00 a 0 HG3.8 HD3.8 213 1.971 2.467 1 T 2.315e+06 0.00e+00 a 0 HG2.8 HB2.8 214 2.043 2.467 1 T 6.219e+06 0.00e+00 a 0 HB3.8 HB2.8 215 1.859 2.471 1 T 3.121e+06 0.00e+00 a 0 HG3.8 HB2.8 216 2.468 1.859 1 T 4.637e+06 0.00e+00 a 0 HB2.8 HG3.8 217 2.489 2.039 1 T 9.490e+06 0.00e+00 a 0 - - 218 2.424 2.123 1 T 1.046e+06 0.00e+00 a 0 - - 219 2.478 2.238 1 T 2.486e+05 0.00e+00 a 0 HB2.13 HG2.13 220 2.239 2.482 1 T 1.665e+06 0.00e+00 a 0 HG2.13 HB2.13 221 1.818 4.309 1 T 5.075e+05 0.00e+00 a 0 HB.7 HA.7 222 1.806 1.099 1 T 4.510e+05 0.00e+00 a 0 HB.7 HG12.7 223 1.855 0.869 1 T 7.219e+05 0.00e+00 a 0 - - 224 1.785 0.865 1 T 1.696e+05 0.00e+00 a 0 - - 225 1.483 1.098 1 T 3.734e+06 0.00e+00 a 0 HG13.7 HG12.7 226 1.497 0.871 1 T 3.981e+06 0.00e+00 a 0 HG13.7 - 227 1.084 0.870 1 T 1.204e+07 0.00e+00 a 0 HG12.7 - 228 1.088 1.482 1 T 3.826e+06 0.00e+00 a 0 HG12.7 HG13.7 229 1.134 1.827 1 T 2.697e+05 0.00e+00 a 0 - - 230 1.078 1.816 1 T 2.925e+05 0.00e+00 a 0 HG12.7 HB.7 231 1.095 4.318 1 T 3.990e+05 0.00e+00 a 0 HG12.7 HA.7 232 0.864 4.316 1 T 2.197e+06 0.00e+00 a 0 - HA.7 233 1.502 4.294 1 T 3.308e+05 0.00e+00 a 0 HG13.7 HA.7 234 0.863 5.114 1 T 1.291e+06 0.00e+00 a 0 - HA.8 235 1.507 4.611 1 T 2.625e+06 0.00e+00 a 0 QG2.4 HB.4 236 1.506 4.531 1 T 1.643e+06 0.00e+00 a 0 QG2.4 HA.4 237 0.868 3.835 1 T 6.514e+05 0.00e+00 a 0 - - 238 2.443 2.911 1 T 3.579e+05 0.00e+00 a 0 HB2.9 - 239 1.843 2.905 1 T 6.475e+05 0.00e+00 a 0 HB3.9 - 240 2.036 2.234 1 T 3.535e+06 0.00e+00 a 0 HB3.13 HG2.13 241 2.226 2.034 1 T 4.777e+06 0.00e+00 a 0 HG2.13 HB3.13 242 2.232 2.118 1 T 2.303e+07 0.00e+00 a 0 HG2.13 HG3.13 243 2.123 2.238 1 T 1.822e+07 0.00e+00 a 0 HG3.13 HG2.13 244 1.440 3.096 1 T 1.579e+06 0.00e+00 a 0 HG2.10 HD2.10 244 1.440 3.096 1 T 1.579e+06 0.00e+00 a 0 HG2.10 HD3.10 245 1.327 3.076 1 T 4.366e+05 0.00e+00 a 0 HG3.10 HD3.10 245 1.327 3.076 1 T 4.366e+05 0.00e+00 a 0 HG3.10 HD2.10 246 1.336 1.678 1 T 1.610e+06 0.00e+00 a 0 HG3.10 HB3.10 246 1.336 1.678 1 T 1.610e+06 0.00e+00 a 0 HG3.10 HB2.10 247 1.458 1.703 1 T 1.652e+07 0.00e+00 a 0 - - 248 1.548 1.719 1 T 1.817e+07 0.00e+00 a 0 - - 249 1.713 1.541 1 T 1.269e+07 0.00e+00 a 0 - - 250 1.679 1.445 1 T 1.512e+07 0.00e+00 a 0 - - 251 1.688 1.331 1 T 9.348e+05 0.00e+00 a 0 HB3.10 HG3.10 251 1.688 1.331 1 T 9.348e+05 0.00e+00 a 0 HB2.10 HG3.10 252 2.041 1.854 1 T 1.036e+06 0.00e+00 a 0 - - 253 2.093 1.841 1 T 1.011e+06 0.00e+00 a 0 - - 254 2.050 1.712 1 T 2.230e+06 0.00e+00 a 0 - - 255 2.088 1.540 1 T 1.434e+06 0.00e+00 a 0 - - 256 2.082 1.401 1 T 1.409e+05 0.00e+00 a 0 - - 257 0.875 1.095 1 T 1.952e+07 0.00e+00 a 0 - - 258 0.862 1.483 1 T 7.692e+06 0.00e+00 a 0 - - 259 1.455 2.125 1 T 3.071e+05 0.00e+00 a 0 - - 260 1.518 2.066 1 T 2.404e+06 0.00e+00 a 0 - - 261 1.403 2.071 1 T 2.395e+05 0.00e+00 a 0 - - 262 1.434 2.052 1 T 6.047e+05 0.00e+00 a 0 - - 263 1.444 2.032 1 T 6.409e+05 0.00e+00 a 0 - - 264 1.729 2.065 1 T 3.134e+06 0.00e+00 a 0 - - 265 1.691 4.505 1 T 1.391e+06 0.00e+00 a 0 HB3.10 HA.10 265 1.691 4.505 1 T 1.391e+06 0.00e+00 a 0 HB2.10 HA.10 266 9.191 4.213 1 T 1.285e+05 0.00e+00 a 0 - - 267 8.816 4.083 1 T 1.162e+05 0.00e+00 a 0 - - 268 7.914 2.485 1 T 1.383e+05 0.00e+00 a 0 - - 269 7.915 2.243 1 T 1.064e+05 0.00e+00 a 0 - - 270 8.249 5.110 1 T 1.081e+05 0.00e+00 a 0 H.7 HA.8 271 7.737 5.825 1 T 1.035e+05 0.00e+00 a 0 H.10 HA.3 272 8.280 6.249 1 T 1.057e+05 0.00e+00 a 0 - - 273 9.196 7.340 1 T 8.447e+04 0.00e+00 a 0 - - 274 9.197 7.308 1 T 8.162e+04 0.00e+00 a 0 - - 275 9.193 8.572 1 T 1.173e+05 0.00e+00 a 0 H.4 H.5 276 7.536 4.774 1 T 1.881e+05 0.00e+00 a 0 - - 277 5.118 0.864 1 T 1.628e+05 0.00e+00 a 0 - - 278 4.314 1.096 1 T 1.816e+05 0.00e+00 a 0 - - 279 3.828 0.867 1 T 2.008e+05 0.00e+00 a 0 - - 280 3.706 0.865 1 T 1.269e+05 0.00e+00 a 0 - - 281 3.573 0.862 1 T 2.033e+05 0.00e+00 a 0 - - 282 4.445 2.496 1 T 2.908e+05 0.00e+00 a 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 . . 30666 1 2 . . H 1 H . . 12 ppm . . . 4.76 . . 30666 1 stop_ save_