######################### # 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 30668 _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 8.391 3.740 1 T 8.297e+05 0.00e+00 a 0 H.1 HA3.1 2 7.847 3.742 1 T 1.160e+05 0.00e+00 a 0 H.2 HA3.1 3 7.852 4.368 1 T 3.861e+05 0.00e+00 a 0 H.2 HA.2 3 7.852 4.368 1 T 3.861e+05 0.00e+00 a 0 H.2 HA2.1 4 7.846 2.030 1 T 5.080e+05 0.00e+00 a 0 H.2 HB2.2 5 7.848 1.749 1 T 1.877e+05 0.00e+00 a 0 H.2 HB3.2 6 7.846 1.592 1 T 3.385e+05 0.00e+00 a 0 H.2 HG2.2 7 7.729 1.590 1 T 1.781e+05 0.00e+00 a 0 HE.2 HG2.2 8 7.727 2.031 1 T 1.324e+05 0.00e+00 a 0 HE.2 HB2.2 9 8.363 5.617 1 T 5.926e+05 0.00e+00 a 0 H.3 HA.3 10 8.372 4.365 1 T 1.834e+06 0.00e+00 a 0 H.3 HA.2 11 8.369 3.015 1 T 4.738e+05 0.00e+00 a 0 H.3 HB2.3 12 8.370 2.860 1 T 1.409e+05 0.00e+00 a 0 H.3 HB3.3 13 9.213 5.618 1 T 1.361e+06 0.00e+00 a 0 H.4 HA.3 14 9.222 4.859 1 T 8.577e+04 0.00e+00 a 0 H.4 HA.4 15 9.211 4.834 1 T 3.023e+05 0.00e+00 a 0 H.4 HA.4 16 9.214 3.183 1 T 1.763e+05 0.00e+00 a 0 H.4 HB2.4 17 9.213 3.007 1 T 4.804e+05 0.00e+00 a 0 H.4 HB3.4 18 8.678 4.388 1 T 4.147e+05 0.00e+00 a 0 H.5 HA.5 19 8.677 4.831 1 T 1.373e+06 0.00e+00 a 0 H.5 HA.4 20 8.677 1.963 1 T 1.608e+05 0.00e+00 a 0 H.5 HB2.5 21 8.678 1.507 1 T 6.958e+04 0.00e+00 a 0 H.5 HG2.5 22 8.676 1.759 1 T 4.588e+05 0.00e+00 a 0 H.5 HB3.5 22 8.676 1.759 1 T 4.588e+05 0.00e+00 a 0 H.5 HD3.5 23 7.626 4.387 1 T 5.596e+05 0.00e+00 a 0 H.6 HA.5 24 7.622 3.994 1 T 8.240e+04 0.00e+00 a 0 H.6 HB2.6 25 7.622 3.792 1 T 1.531e+05 0.00e+00 a 0 H.6 HB3.6 26 8.252 4.422 1 T 6.657e+05 0.00e+00 a 0 H.7 HA.6 27 8.262 4.656 1 T 1.531e+05 0.00e+00 a 0 H.7 HA.7 28 8.246 4.633 1 T 1.628e+05 0.00e+00 a 0 H.7 HA.7 29 8.255 1.410 1 T 5.832e+04 0.00e+00 a 0 H.7 HG2.7 30 8.253 1.701 1 T 2.753e+05 0.00e+00 a 0 H.7 HD2.7 30 8.253 1.701 1 T 2.753e+05 0.00e+00 a 0 H.7 HB3.7 31 8.253 1.759 1 T 2.735e+05 0.00e+00 a 0 H.7 HB2.7 32 5.117 4.648 1 T 2.152e+05 0.00e+00 a 0 HA.8 HA.7 33 3.636 2.115 1 T 6.862e+04 0.00e+00 a 0 HD2.8 HB3.8 34 3.640 1.985 1 T 3.866e+05 0.00e+00 a 0 HD2.8 HG2.8 35 3.633 1.847 1 T 5.323e+05 0.00e+00 a 0 HD2.8 HG3.8 36 3.524 1.852 1 T 5.589e+05 0.00e+00 a 0 HD3.8 HG3.8 37 3.523 1.976 1 T 6.630e+05 0.00e+00 a 0 HD3.8 HG2.8 38 3.530 2.117 1 T 5.274e+04 0.00e+00 a 0 HD3.8 HB3.8 39 3.531 2.430 1 T 7.437e+04 0.00e+00 a 0 HD3.8 HB2.8 40 3.631 3.523 1 T 7.901e+06 0.00e+00 a 0 HD2.8 HD3.8 41 3.527 3.637 1 T 7.731e+06 0.00e+00 a 0 HD3.8 HD2.8 42 3.815 5.115 1 T 8.724e+05 0.00e+00 a 0 HD2.9 HA.8 43 3.685 5.114 1 T 5.341e+05 0.00e+00 a 0 HD3.9 HA.8 44 3.815 4.449 1 T 1.942e+05 0.00e+00 a 0 HD2.9 HA.9 45 3.816 2.324 1 T 1.001e+05 0.00e+00 a 0 HD2.9 HB2.9 46 3.816 2.114 1 T 8.636e+05 0.00e+00 a 0 HD2.9 HG3.9 47 3.807 1.953 1 T 1.031e+05 0.00e+00 a 0 HD2.9 HB3.9 48 3.685 1.941 1 T 1.333e+05 0.00e+00 a 0 HD3.9 HB3.9 49 3.683 2.112 1 T 8.852e+05 0.00e+00 a 0 HD3.9 HG3.9 50 3.687 2.332 1 T 5.458e+04 0.00e+00 a 0 HD3.9 HB2.9 51 3.810 3.680 1 T 5.626e+06 0.00e+00 a 0 HD2.9 HD3.9 52 3.686 3.816 1 T 6.090e+06 0.00e+00 a 0 HD3.9 HD2.9 53 7.604 4.452 1 T 1.520e+06 0.00e+00 a 0 H.10 HA.9 54 7.611 4.316 1 T 2.418e+05 0.00e+00 a 0 H.10 HA.10 55 7.602 1.687 1 T 2.719e+05 0.00e+00 a 0 H.10 HB.10 56 7.601 1.004 1 T 6.912e+04 0.00e+00 a 0 H.10 HG13.10 57 7.603 0.715 1 T 1.060e+05 0.00e+00 a 0 H.10 QG2.10 58 8.401 4.310 1 T 1.646e+06 0.00e+00 a 0 H.11 HA.10 59 8.396 5.464 1 T 4.661e+05 0.00e+00 a 0 H.11 HA.11 60 8.401 2.900 1 T 4.614e+05 0.00e+00 a 0 H.11 HB3.11 60 8.401 2.900 1 T 4.614e+05 0.00e+00 a 0 H.11 HB2.11 61 8.913 5.465 1 T 1.607e+06 0.00e+00 a 0 H.12 HA.11 62 8.920 4.898 1 T 1.722e+05 0.00e+00 a 0 H.12 HA.12 63 8.914 3.380 1 T 1.454e+05 0.00e+00 a 0 H.12 HB2.12 64 8.913 3.127 1 T 7.623e+05 0.00e+00 a 0 H.12 HB3.12 65 4.052 4.891 1 T 1.429e+06 0.00e+00 a 0 HD2.13 HA.12 65 4.052 4.891 1 T 1.429e+06 0.00e+00 a 0 HD3.13 HA.12 66 4.057 2.485 1 T 7.556e+04 0.00e+00 a 0 HD2.13 HB2.13 66 4.057 2.485 1 T 7.556e+04 0.00e+00 a 0 HD3.13 HB2.13 67 4.050 2.218 1 T 7.560e+05 0.00e+00 a 0 HD2.13 HG2.13 67 4.050 2.218 1 T 7.560e+05 0.00e+00 a 0 HD3.13 HG2.13 68 4.054 2.114 1 T 2.147e+05 0.00e+00 a 0 HD2.13 HG3.13 68 4.054 2.114 1 T 2.147e+05 0.00e+00 a 0 HD3.13 HG3.13 69 4.051 2.057 1 T 2.691e+05 0.00e+00 a 0 HD2.13 HB3.13 69 4.051 2.057 1 T 2.691e+05 0.00e+00 a 0 HD3.13 HB3.13 70 7.786 4.433 1 T 1.365e+05 0.00e+00 a 0 H.14 HA.13 71 7.784 4.540 1 T 4.038e+05 0.00e+00 a 0 H.14 HA.14 72 7.784 3.124 1 T 3.298e+05 0.00e+00 a 0 H.14 HB2.14 73 7.784 2.740 1 T 4.511e+05 0.00e+00 a 0 H.14 HB3.14 74 8.392 4.538 1 T 1.830e+05 0.00e+00 a 0 H.1 HA.14 75 9.213 5.463 1 T 1.594e+05 0.00e+00 a 0 H.4 HA.11 76 8.914 5.618 1 T 1.807e+05 0.00e+00 a 0 H.12 HA.3 78 8.252 3.992 1 T 6.613e+05 0.00e+00 a 0 H.7 HB2.6 79 8.253 3.797 1 T 1.676e+05 0.00e+00 a 0 H.7 HB3.6 80 7.785 4.052 1 T 1.726e+05 0.00e+00 a 0 H.14 HD2.13 80 7.785 4.052 1 T 1.726e+05 0.00e+00 a 0 H.14 HD3.13 81 7.785 3.383 1 T 3.079e+05 0.00e+00 a 0 H.14 HB2.12 82 9.214 2.857 1 T 2.743e+05 0.00e+00 a 0 H.4 HB3.3 83 8.914 2.914 1 T 4.194e+05 0.00e+00 a 0 H.12 HB3.11 83 8.914 2.914 1 T 4.194e+05 0.00e+00 a 0 H.12 HB2.11 84 8.678 3.187 1 T 2.206e+05 0.00e+00 a 0 H.5 HB2.4 85 8.677 3.003 1 T 1.116e+05 0.00e+00 a 0 H.5 HB3.4 86 8.392 3.127 1 T 9.549e+04 0.00e+00 a 0 H.1 HB3.12 87 7.847 3.128 1 T 1.612e+05 0.00e+00 a 0 H.2 HB3.12 88 9.214 7.185 1 T 6.109e+04 0.00e+00 a 0 H.4 QD.4 89 9.213 7.602 1 T 2.004e+05 0.00e+00 a 0 H.4 H.10 90 8.916 7.305 1 T 7.722e+04 0.00e+00 a 0 H.12 QD.12 91 8.913 7.851 1 T 7.238e+04 0.00e+00 a 0 H.12 H.2 92 8.678 7.623 1 T 7.968e+04 0.00e+00 a 0 H.5 H.6 93 9.212 8.678 1 T 6.641e+04 0.00e+00 a 0 H.4 H.5 94 8.392 7.787 1 T 4.558e+05 0.00e+00 a 0 H.1 H.14 95 8.390 7.844 1 T 4.767e+05 0.00e+00 a 0 H.1 H.2 96 7.846 8.389 1 T 5.437e+05 0.00e+00 a 0 H.2 H.1 97 7.785 8.392 1 T 5.403e+05 0.00e+00 a 0 H.14 H.1 98 7.625 8.250 1 T 9.820e+04 0.00e+00 a 0 H.6 H.7 99 7.622 8.676 1 T 9.315e+04 0.00e+00 a 0 H.6 H.5 100 7.467 6.822 1 T 1.457e+05 0.00e+00 a 0 - - 101 7.185 6.814 1 T 1.334e+06 0.00e+00 a 0 QD.4 QE.4 102 8.393 8.916 1 T 7.888e+04 0.00e+00 a 0 H.1 H.12 103 8.676 9.207 1 T 9.967e+04 0.00e+00 a 0 H.5 H.4 104 7.601 9.214 1 T 1.936e+05 0.00e+00 a 0 H.10 H.4 105 7.846 8.912 1 T 8.656e+04 0.00e+00 a 0 H.2 H.12 106 7.306 8.915 1 T 1.202e+05 0.00e+00 a 0 QD.12 H.12 107 7.188 9.215 1 T 8.042e+04 0.00e+00 a 0 QD.4 H.4 108 9.213 1.688 1 T 6.365e+04 0.00e+00 a 0 H.4 HB.10 109 9.213 0.715 1 T 5.934e+04 0.00e+00 a 0 H.4 - 110 8.399 0.716 1 T 1.016e+05 0.00e+00 a 0 H.11 - 111 8.380 2.031 1 T 8.195e+04 0.00e+00 a 0 - HB2.2 112 7.784 2.046 1 T 1.547e+05 0.00e+00 a 0 - - 113 7.305 3.125 1 T 2.516e+05 0.00e+00 a 0 QD.12 HB3.12 114 7.305 3.383 1 T 1.141e+05 0.00e+00 a 0 QD.12 HB2.12 115 7.304 4.052 1 T 1.860e+05 0.00e+00 a 0 QD.12 HD2.13 115 7.304 4.052 1 T 1.860e+05 0.00e+00 a 0 QD.12 HD3.13 116 7.306 4.894 1 T 1.043e+05 0.00e+00 a 0 QD.12 HA.12 117 7.301 5.464 1 T 6.763e+04 0.00e+00 a 0 QD.12 HA.11 118 7.302 5.606 1 T 5.099e+04 0.00e+00 a 0 QD.12 HA.3 119 7.304 2.032 1 T 9.287e+04 0.00e+00 a 0 QD.12 HB2.2 120 7.304 1.747 1 T 5.408e+04 0.00e+00 a 0 QD.12 HB3.2 121 7.304 0.713 1 T 7.147e+04 0.00e+00 a 0 - - 122 7.185 4.828 1 T 1.339e+05 0.00e+00 a 0 QD.4 HA.4 123 7.188 3.189 1 T 2.063e+05 0.00e+00 a 0 QD.4 HB2.4 124 7.186 3.006 1 T 1.589e+05 0.00e+00 a 0 QD.4 HB3.4 125 7.182 3.796 1 T 5.503e+04 0.00e+00 a 0 QD.4 HB3.6 126 6.811 7.181 1 T 1.621e+06 0.00e+00 a 0 - - 127 5.620 5.463 1 T 8.878e+05 0.00e+00 a 0 HA.3 HA.11 128 5.463 5.620 1 T 7.528e+05 0.00e+00 a 0 HA.11 HA.3 129 5.615 2.855 1 T 5.194e+05 0.00e+00 a 0 - - 130 5.597 3.014 1 T 3.176e+05 0.00e+00 a 0 - - 131 5.436 2.922 1 T 2.737e+05 0.00e+00 a 0 - - 132 5.458 2.887 1 T 6.542e+05 0.00e+00 a 0 - - 133 2.908 5.477 1 T 6.809e+05 0.00e+00 a 0 HB3.11 HA.11 133 2.908 5.477 1 T 6.809e+05 0.00e+00 a 0 HB2.11 HA.11 134 3.012 5.610 1 T 1.227e+05 0.00e+00 a 0 HB2.3 HA.3 135 2.868 5.616 1 T 4.418e+05 0.00e+00 a 0 HB3.3 HA.3 136 2.431 5.116 1 T 3.488e+05 0.00e+00 a 0 HB2.8 HA.8 137 3.383 4.900 1 T 3.719e+05 0.00e+00 a 0 HB2.12 HA.12 138 3.130 4.900 1 T 1.961e+05 0.00e+00 a 0 HB3.12 HA.12 139 3.184 4.841 1 T 4.958e+05 0.00e+00 a 0 HB2.4 HA.4 140 3.016 4.846 1 T 1.929e+05 0.00e+00 a 0 HB3.4 HA.4 141 3.144 4.538 1 T 2.547e+05 0.00e+00 a 0 HB2.14 HA.14 142 3.101 4.538 1 T 2.952e+05 0.00e+00 a 0 HB2.14 HA.14 143 2.760 4.537 1 T 2.727e+05 0.00e+00 a 0 HB3.14 HA.14 144 2.717 4.538 1 T 2.491e+05 0.00e+00 a 0 HB3.14 HA.14 145 2.738 3.124 1 T 6.236e+06 0.00e+00 a 0 HB3.14 HB2.14 146 3.121 2.738 1 T 6.138e+06 0.00e+00 a 0 HB2.14 HB3.14 147 2.864 3.014 1 T 1.175e+07 0.00e+00 a 0 HB3.3 HB2.3 148 3.007 2.856 1 T 8.347e+06 0.00e+00 a 0 HB2.3 HB3.3 149 3.747 4.384 1 T 3.301e+06 0.00e+00 a 0 HA3.1 HA2.1 150 3.726 4.383 1 T 3.117e+06 0.00e+00 a 0 HA3.1 HA2.1 151 4.400 3.742 1 T 2.185e+06 0.00e+00 a 0 - - 152 3.797 3.992 1 T 8.290e+06 0.00e+00 a 0 HB3.6 HB2.6 153 3.986 3.793 1 T 8.439e+06 0.00e+00 a 0 HB2.6 HB3.6 154 3.981 4.423 1 T 2.539e+05 0.00e+00 a 0 HB2.6 HA.6 155 3.795 4.427 1 T 4.956e+05 0.00e+00 a 0 HB3.6 HA.6 156 7.603 1.461 1 T 8.730e+04 0.00e+00 a 0 H.10 HG12.10 157 8.678 1.724 1 T 2.640e+05 0.00e+00 a 0 H.5 HD2.5 157 8.678 1.724 1 T 2.640e+05 0.00e+00 a 0 H.5 HD3.5 158 8.252 7.627 1 T 5.720e+04 0.00e+00 a 0 H.7 H.6 160 7.729 3.233 1 T 6.283e+05 0.00e+00 a 0 HE.2 HD2.2 161 7.752 3.179 1 T 1.659e+05 0.00e+00 a 0 HE.2 HD2.2 162 7.702 3.176 1 T 1.166e+05 0.00e+00 a 0 HE.2 HD2.2 163 7.727 3.115 1 T 5.538e+04 0.00e+00 a 0 HE.2 - 164 7.619 3.186 1 T 9.478e+04 0.00e+00 a 0 H.6 HB2.4 165 7.608 3.007 1 T 1.585e+05 0.00e+00 a 0 H.10 HE3.7 165 7.608 3.007 1 T 1.585e+05 0.00e+00 a 0 H.10 HE2.7 166 7.606 2.326 1 T 8.611e+04 0.00e+00 a 0 H.10 HB2.9 167 7.620 1.959 1 T 1.632e+05 0.00e+00 a 0 H.6 - 168 8.369 1.747 1 T 1.631e+05 0.00e+00 a 0 H.3 - 169 8.374 1.591 1 T 9.162e+04 0.00e+00 a 0 H.3 HG2.2 170 7.167 0.717 1 T 1.149e+05 0.00e+00 a 0 QD.4 QG2.10 171 7.128 0.717 1 T 1.096e+05 0.00e+00 a 0 - QG2.10 172 5.629 8.371 1 T 5.057e+05 0.00e+00 a 0 HA.3 H.3 173 5.472 8.402 1 T 4.178e+05 0.00e+00 a 0 HA.11 H.11 174 5.621 8.913 1 T 1.130e+05 0.00e+00 a 0 HA.3 H.12 175 5.465 8.913 1 T 8.684e+05 0.00e+00 a 0 HA.11 H.12 176 5.619 9.213 1 T 8.460e+05 0.00e+00 a 0 HA.3 H.4 177 5.462 9.214 1 T 8.455e+04 0.00e+00 a 0 HA.11 H.4 178 5.116 3.819 1 T 1.401e+05 0.00e+00 a 0 HA.8 HD2.9 179 5.104 2.425 1 T 1.054e+05 0.00e+00 a 0 HA.8 HB2.8 180 5.108 2.119 1 T 5.401e+04 0.00e+00 a 0 HA.8 HB3.8 181 4.904 3.130 1 T 1.249e+05 0.00e+00 a 0 - - 182 3.139 4.051 1 T 2.612e+05 0.00e+00 a 0 HB3.12 HD2.13 182 3.139 4.051 1 T 2.612e+05 0.00e+00 a 0 HB3.12 HD3.13 183 3.395 4.050 1 T 6.220e+05 0.00e+00 a 0 HB2.12 HD2.13 183 3.395 4.050 1 T 6.220e+05 0.00e+00 a 0 HB2.12 HD3.13 184 3.368 4.050 1 T 7.365e+05 0.00e+00 a 0 HB2.12 HD3.13 184 3.368 4.050 1 T 7.365e+05 0.00e+00 a 0 HB2.12 HD2.13 185 4.052 3.382 1 T 8.144e+05 0.00e+00 a 0 HD3.13 HB2.12 185 4.052 3.382 1 T 8.144e+05 0.00e+00 a 0 HD2.13 HB2.12 186 4.051 3.135 1 T 8.026e+04 0.00e+00 a 0 HD3.13 HB3.12 186 4.051 3.135 1 T 8.026e+04 0.00e+00 a 0 HD2.13 HB3.12 187 3.141 3.380 1 T 5.206e+06 0.00e+00 a 0 HB3.12 HB2.12 188 3.369 3.128 1 T 5.907e+06 0.00e+00 a 0 HB2.12 HB3.12 189 3.683 2.427 1 T 9.816e+04 0.00e+00 a 0 HD3.9 HB2.8 190 3.187 4.357 1 T 3.896e+04 0.00e+00 a 0 HD3.2 HA.2 191 3.189 2.032 1 T 4.494e+04 0.00e+00 a 0 HD3.2 HB2.2 192 3.194 1.755 1 T 9.989e+04 0.00e+00 a 0 HD3.2 HB3.2 193 3.220 1.754 1 T 9.993e+04 0.00e+00 a 0 HD2.2 HB3.2 194 3.222 1.594 1 T 5.607e+05 0.00e+00 a 0 HD2.2 HG3.2 194 3.222 1.594 1 T 5.607e+05 0.00e+00 a 0 HD2.2 HG2.2 195 3.183 1.593 1 T 6.158e+05 0.00e+00 a 0 HD3.2 HG3.2 195 3.183 1.593 1 T 6.158e+05 0.00e+00 a 0 HD3.2 HG2.2 196 1.748 3.188 1 T 1.244e+05 0.00e+00 a 0 HB3.2 HD2.2 196 1.748 3.188 1 T 1.244e+05 0.00e+00 a 0 HB3.2 HD3.2 197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG3.2 HD2.2 197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG3.2 HD3.2 197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG2.2 HD2.2 197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG2.2 HD3.2 198 1.593 4.361 1 T 3.287e+05 0.00e+00 a 0 HG2.2 HA.2 198 1.593 4.361 1 T 3.287e+05 0.00e+00 a 0 HG3.2 HA.2 199 1.751 4.361 1 T 3.126e+05 0.00e+00 a 0 HB3.2 HA.2 200 2.022 4.341 1 T 1.138e+05 0.00e+00 a 0 HB2.2 HA.2 201 1.586 2.028 1 T 1.168e+06 0.00e+00 a 0 HG3.2 HB2.2 201 1.586 2.028 1 T 1.168e+06 0.00e+00 a 0 HG2.2 HB2.2 202 2.042 1.597 1 T 6.071e+05 0.00e+00 a 0 HB2.2 HG3.2 202 2.042 1.597 1 T 6.071e+05 0.00e+00 a 0 HB2.2 HG2.2 203 1.741 1.592 1 T 5.036e+06 0.00e+00 a 0 HB3.2 HG2.2 203 1.741 1.592 1 T 5.036e+06 0.00e+00 a 0 HB3.2 HG3.2 204 1.599 1.746 1 T 6.333e+06 0.00e+00 a 0 HG3.2 HB3.2 204 1.599 1.746 1 T 6.333e+06 0.00e+00 a 0 HG2.2 HB3.2 205 2.021 1.746 1 T 1.131e+06 0.00e+00 a 0 HB2.2 HB3.2 206 3.814 4.646 1 T 1.583e+05 0.00e+00 a 0 HD2.9 HA.7 207 3.852 4.201 1 T 1.230e+05 0.00e+00 a 0 - - 208 3.934 4.174 1 T 7.203e+04 0.00e+00 a 0 - - 209 3.679 4.650 1 T 7.986e+04 0.00e+00 a 0 - - 210 2.487 4.434 1 T 4.939e+05 0.00e+00 a 0 HB2.13 HA.13 211 2.492 4.056 1 T 9.377e+04 0.00e+00 a 0 HB2.13 HD2.13 211 2.492 4.056 1 T 9.377e+04 0.00e+00 a 0 HB2.13 HD3.13 212 2.055 4.053 1 T 3.474e+05 0.00e+00 a 0 HB3.13 HD2.13 212 2.055 4.053 1 T 3.474e+05 0.00e+00 a 0 HB3.13 HD3.13 213 2.111 4.045 1 T 4.207e+05 0.00e+00 a 0 HG3.13 HD3.13 213 2.111 4.045 1 T 4.207e+05 0.00e+00 a 0 HG3.13 HD2.13 214 2.217 4.051 1 T 9.033e+05 0.00e+00 a 0 HG2.13 HD2.13 214 2.217 4.051 1 T 9.033e+05 0.00e+00 a 0 HG2.13 HD3.13 215 2.036 4.434 1 T 1.863e+05 0.00e+00 a 0 HB3.13 HA.13 216 2.111 4.439 1 T 2.149e+05 0.00e+00 a 0 HG3.13 HA.13 217 2.230 4.440 1 T 6.704e+05 0.00e+00 a 0 - - 218 2.493 2.051 1 T 1.702e+06 0.00e+00 a 0 HB2.13 HB3.13 219 2.477 2.207 1 T 3.818e+05 0.00e+00 a 0 HB2.13 HG2.13 220 2.034 2.482 1 T 1.329e+06 0.00e+00 a 0 - - 221 2.123 5.109 1 T 2.822e+05 0.00e+00 a 0 HB3.8 HA.8 222 2.435 3.516 1 T 7.083e+04 0.00e+00 a 0 HB2.8 HD3.8 223 1.852 3.520 1 T 5.151e+05 0.00e+00 a 0 HG3.8 HD3.8 224 1.831 3.638 1 T 3.305e+05 0.00e+00 a 0 HG3.8 HD2.8 225 1.970 3.522 1 T 6.738e+05 0.00e+00 a 0 HG2.8 HD3.8 226 1.976 3.639 1 T 4.523e+05 0.00e+00 a 0 HG2.8 HD2.8 227 2.125 3.523 1 T 8.372e+04 0.00e+00 a 0 HB3.8 HD3.8 228 2.117 3.634 1 T 2.389e+05 0.00e+00 a 0 HB3.8 HD2.8 229 1.834 2.424 1 T 7.367e+05 0.00e+00 a 0 HG3.8 HB2.8 230 1.965 2.426 1 T 4.810e+05 0.00e+00 a 0 HG2.8 HB2.8 231 2.125 2.427 1 T 3.785e+06 0.00e+00 a 0 HB3.8 HB2.8 232 1.857 2.113 1 T 4.671e+05 0.00e+00 a 0 HG3.8 HB3.8 233 1.950 2.110 1 T 2.715e+06 0.00e+00 a 0 HG2.8 HB3.8 234 1.969 1.849 1 T 6.377e+06 0.00e+00 a 0 HG2.8 HG3.8 235 2.109 1.850 1 T 3.056e+05 0.00e+00 a 0 HB3.8 HG3.8 236 2.100 1.946 1 T 2.280e+06 0.00e+00 a 0 HB3.8 HG2.8 237 2.441 1.854 1 T 7.101e+05 0.00e+00 a 0 HB2.8 HG3.8 238 2.442 1.976 1 T 3.449e+05 0.00e+00 a 0 HB2.8 HG2.8 239 2.418 2.118 1 T 2.691e+06 0.00e+00 a 0 HB2.8 HB3.8 240 2.328 4.452 1 T 5.232e+05 0.00e+00 a 0 HB2.9 HA.9 241 1.939 4.449 1 T -1.228e+05 0.00e+00 a 0 HB3.9 HA.9 242 2.114 4.449 1 T 1.981e+05 0.00e+00 a 0 HG3.9 HA.9 243 2.103 3.815 1 T 9.145e+05 0.00e+00 a 0 HG3.9 HD2.9 244 1.949 3.815 1 T 1.882e+05 0.00e+00 a 0 HB3.9 HD2.9 245 2.112 3.690 1 T 7.918e+05 0.00e+00 a 0 HG3.9 HD3.9 246 1.954 3.676 1 T 2.281e+05 0.00e+00 a 0 - - 247 1.942 3.686 1 T 1.894e+05 0.00e+00 a 0 HB3.9 HD3.9 248 2.134 2.325 1 T 1.983e+06 0.00e+00 a 0 HG3.9 HB2.9 249 1.928 2.308 1 T 8.046e+05 0.00e+00 a 0 HB3.9 HB2.9 250 2.314 2.120 1 T 2.309e+06 0.00e+00 a 0 - - 251 2.336 1.952 1 T 5.858e+05 0.00e+00 a 0 HB2.9 HB3.9 252 0.714 4.309 1 T 2.324e+05 0.00e+00 a 0 QG2.10 HA.10 253 0.838 4.315 1 T 1.216e+05 0.00e+00 a 0 QD1.10 HA.10 254 0.998 4.310 1 T 7.966e+04 0.00e+00 a 0 HG13.10 HA.10 255 1.470 4.316 1 T 7.702e+04 0.00e+00 a 0 HG12.10 HA.10 256 1.682 4.313 1 T 1.806e+05 0.00e+00 a 0 HB.10 HA.10 257 0.743 1.685 1 T 1.652e+05 0.00e+00 a 0 QG2.10 HB.10 258 0.691 1.681 1 T 1.429e+05 0.00e+00 a 0 QG2.10 HB.10 259 0.837 1.688 1 T 2.118e+05 0.00e+00 a 0 QD1.10 HB.10 260 0.987 1.683 1 T 2.511e+05 0.00e+00 a 0 HG13.10 HB.10 261 0.713 1.471 1 T 1.940e+05 0.00e+00 a 0 QG2.10 HG12.10 262 0.830 1.461 1 T 2.156e+06 0.00e+00 a 0 QD1.10 HG12.10 263 0.991 1.463 1 T 2.330e+06 0.00e+00 a 0 HG13.10 HG12.10 264 0.841 0.998 1 T 7.255e+06 0.00e+00 a 0 QD1.10 HG13.10 265 0.989 0.836 1 T 5.319e+06 0.00e+00 a 0 HG13.10 QD1.10 266 1.720 0.718 1 T 1.784e+05 0.00e+00 a 0 HB.10 QG2.10 267 1.475 0.836 1 T 1.283e+06 0.00e+00 a 0 HG12.10 QD1.10 268 1.468 1.001 1 T 2.621e+06 0.00e+00 a 0 HG12.10 HG13.10 269 1.689 1.004 1 T 3.379e+05 0.00e+00 a 0 HB.10 HG13.10 270 1.690 0.834 1 T 8.515e+04 0.00e+00 a 0 HB.10 QD1.10 271 1.459 2.243 1 T 3.089e+05 0.00e+00 a 0 - - 272 0.716 7.162 1 T 1.145e+05 0.00e+00 a 0 QG2.10 QD.4 273 0.712 8.406 1 T 1.166e+05 0.00e+00 a 0 QG2.10 H.11 274 0.715 9.836 1 T 4.296e+04 0.00e+00 a 0 - - 275 0.707 3.017 1 T 8.825e+04 0.00e+00 a 0 - - 276 0.714 2.987 1 T 7.411e+04 0.00e+00 a 0 QG2.10 - 277 2.011 1.005 1 T 1.256e+05 0.00e+00 a 0 - HG13.10 278 2.081 0.801 1 T 1.086e+06 0.00e+00 a 0 - - 279 1.282 4.648 1 T 6.011e+04 0.00e+00 a 0 HG3.7 HA.7 280 1.706 2.988 1 T 8.371e+05 0.00e+00 a 0 HD2.7 HE3.7 280 1.706 2.988 1 T 8.371e+05 0.00e+00 a 0 HB3.7 HE3.7 281 1.737 3.031 1 T 9.754e+05 0.00e+00 a 0 HD3.5 HE2.5 281 1.737 3.031 1 T 9.754e+05 0.00e+00 a 0 HD3.5 HE3.5 282 1.760 3.015 1 T 4.605e+05 0.00e+00 a 0 HB2.7 HE2.7 282 1.760 3.015 1 T 4.605e+05 0.00e+00 a 0 HB2.7 HE3.7 283 3.006 1.729 1 T 5.054e+05 0.00e+00 a 0 HE2.7 HB3.7 283 3.006 1.729 1 T 5.054e+05 0.00e+00 a 0 HE3.7 HB3.7 284 1.267 1.768 1 T 1.820e+05 0.00e+00 a 0 HG3.7 HB2.7 285 1.275 1.669 1 T 9.361e+04 0.00e+00 a 0 HG3.7 - 286 1.417 1.690 1 T 2.221e+06 0.00e+00 a 0 - - 287 1.516 1.713 1 T 3.758e+06 0.00e+00 a 0 - - 288 1.706 1.506 1 T 3.224e+06 0.00e+00 a 0 - - 289 1.674 1.410 1 T 2.539e+06 0.00e+00 a 0 - - 290 1.833 1.299 1 T 5.468e+04 0.00e+00 a 0 - - 291 1.790 1.289 1 T 2.361e+05 0.00e+00 a 0 HB2.7 HG3.7 292 1.734 1.290 1 T 2.787e+05 0.00e+00 a 0 HB2.7 HG3.7 293 1.940 4.408 1 T 3.423e+05 0.00e+00 a 0 - - 294 1.760 4.388 1 T 1.522e+05 0.00e+00 a 0 HB3.5 HA.5 295 1.402 3.030 1 T -1.339e+05 0.00e+00 a 0 HG3.5 HE2.5 295 1.402 3.030 1 T -1.339e+05 0.00e+00 a 0 HG3.5 HE3.5 296 1.391 1.961 1 T 4.357e+05 0.00e+00 a 0 HG3.5 HB2.5 297 1.492 1.960 1 T 5.979e+05 0.00e+00 a 0 HG2.5 HB2.5 298 1.983 1.510 1 T 4.297e+05 0.00e+00 a 0 HB2.5 HG2.5 299 1.978 1.399 1 T 2.004e+05 0.00e+00 a 0 HB2.5 HG3.5 300 1.768 1.965 1 T 5.088e+06 0.00e+00 a 0 HB3.5 HB2.5 301 1.954 1.762 1 T 5.458e+06 0.00e+00 a 0 HB2.5 HB3.5 302 1.290 1.404 1 T 5.227e+06 0.00e+00 a 0 HG3.7 HG2.7 303 1.397 1.282 1 T 4.905e+06 0.00e+00 a 0 HG2.7 HG3.7 304 3.017 3.188 1 T 6.587e+06 0.00e+00 a 0 HB3.4 HB2.4 305 3.176 3.008 1 T 6.388e+06 0.00e+00 a 0 HB2.4 HB3.4 ; 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 . . . 4.7 . . 30668 1 2 . . H 1 H . . 12 ppm . . . 4.7 . . 30668 1 stop_ save_