######################### # 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 30667 _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 . _Spectral_peak_list.Chem_shift_reference_label . _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 8.420 4.287 1 T 6.449e+05 0.00e+00 a 0 H.1 HA2.1 2 8.426 3.827 1 T 1.511e+06 0.00e+00 a 0 H.1 HA3.1 3 7.837 4.284 1 T 3.027e+05 0.00e+00 a 0 H.2 HA2.1 4 7.837 4.478 1 T 4.999e+05 0.00e+00 a 0 H.2 HA.2 5 7.798 2.014 1 T 2.741e+05 0.00e+00 a 0 H.14 HB3.13 6 7.838 1.942 1 T 1.055e+06 0.00e+00 a 0 H.2 HB3.2 7 8.614 4.468 1 T 2.513e+06 0.00e+00 a 0 H.5 HA.4 8 8.612 4.662 1 T 7.123e+05 0.00e+00 a 0 H.5 HA.5 9 8.614 3.329 1 T 4.121e+05 0.00e+00 a 0 H.5 HB2.5 10 8.614 3.059 1 T 8.329e+05 0.00e+00 a 0 H.5 HB3.5 11 8.448 5.509 1 T 7.638e+05 0.00e+00 a 0 H.3 HA.3 12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.3 HB2.3 12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.3 HB2.11 12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.11 HB2.3 12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.11 HB2.11 13 8.453 4.477 1 T 2.903e+06 0.00e+00 a 0 H.3 HA.2 14 9.102 5.509 1 T 2.733e+06 0.00e+00 a 0 H.4 HA.3 15 9.110 4.469 1 T 4.720e+05 0.00e+00 a 0 H.4 HA.4 16 9.102 1.690 1 T 1.103e+06 0.00e+00 a 0 H.4 HG.4 16 9.102 1.690 1 T 1.103e+06 0.00e+00 a 0 H.4 HB2.4 17 7.465 4.656 1 T 8.459e+05 0.00e+00 a 0 H.6 HA.5 18 7.468 4.357 1 T 6.551e+05 0.00e+00 a 0 H.6 HA.6 19 8.336 5.026 1 T 4.617e+05 0.00e+00 a 0 H.7 HA.7 20 8.344 4.357 1 T 1.169e+06 0.00e+00 a 0 H.7 HA.6 21 8.344 3.934 1 T 1.044e+06 0.00e+00 a 0 H.7 HB2.6 22 8.343 2.878 1 T 5.784e+05 0.00e+00 a 0 H.7 HB2.7 23 8.345 2.629 1 T 3.083e+05 0.00e+00 a 0 H.7 HB3.7 24 3.596 1.961 1 T 1.172e+06 0.00e+00 a 0 HD2.8 HG2.8 25 3.603 1.849 1 T 5.839e+05 0.00e+00 a 0 HD2.8 HG3.8 26 3.512 1.969 1 T 1.043e+06 0.00e+00 a 0 HD3.8 HG2.8 27 3.503 1.832 1 T 7.632e+05 0.00e+00 a 0 HD3.8 HG3.8 28 2.415 5.097 1 T 6.504e+05 0.00e+00 a 0 HB2.8 HA.8 29 2.111 5.100 1 T 8.203e+05 0.00e+00 a 0 HB3.8 HA.8 30 1.963 3.506 1 T 9.864e+05 0.00e+00 a 0 HG2.8 HD3.8 31 1.821 3.502 1 T 6.054e+05 0.00e+00 a 0 HG3.8 HD3.8 32 1.951 3.597 1 T 8.255e+05 0.00e+00 a 0 HG2.8 HD2.8 33 1.838 3.600 1 T 7.733e+05 0.00e+00 a 0 HG3.8 HD2.8 34 2.107 3.597 1 T 3.700e+05 0.00e+00 a 0 HB3.8 HD2.8 35 2.875 5.027 1 T 7.410e+05 0.00e+00 a 0 HB2.7 HA.7 36 2.629 5.031 1 T 5.264e+05 0.00e+00 a 0 HB3.7 HA.7 37 3.872 5.099 1 T 1.922e+06 0.00e+00 a 0 HD2.9 HA.8 38 3.660 5.099 1 T 1.037e+06 0.00e+00 a 0 HD3.9 HA.8 39 3.866 3.657 1 T 8.771e+06 0.00e+00 a 0 - - 40 3.663 3.874 1 T 8.457e+06 0.00e+00 a 0 - - 41 3.872 2.101 1 T 1.927e+06 0.00e+00 a 0 HD2.9 HG3.9 42 3.657 2.098 1 T 1.693e+06 0.00e+00 a 0 HD3.9 HG3.9 43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.9 43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.13 43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.9 43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.13 44 1.851 4.429 1 T 9.368e+05 0.00e+00 a 0 HB3.9 HA.9 45 2.105 3.874 1 T 1.714e+06 0.00e+00 a 0 HG3.9 HD2.9 46 2.110 3.660 1 T 1.380e+06 0.00e+00 a 0 HG3.9 HD3.9 47 1.855 3.654 1 T 3.858e+05 0.00e+00 a 0 HB3.9 HD3.9 48 1.856 3.654 1 T 3.858e+05 0.00e+00 a 0 HB3.9 HD3.9 49 7.718 4.430 1 T 2.049e+06 0.00e+00 a 0 H.10 HA.9 50 7.736 4.209 1 T 3.601e+05 0.00e+00 a 0 H.10 HA.10 51 7.720 1.670 1 T 6.421e+05 0.00e+00 a 0 H.10 HB.10 52 8.447 4.206 1 T 3.139e+06 0.00e+00 a 0 H.11 HA.10 53 8.448 5.247 1 T 6.732e+05 0.00e+00 a 0 H.11 HA.11 54 8.767 5.246 1 T 3.205e+06 0.00e+00 a 0 H.12 HA.11 55 8.759 4.924 1 T 3.728e+05 0.00e+00 a 0 H.12 HA.12 56 8.766 3.107 1 T 1.410e+06 0.00e+00 a 0 H.12 HB3.12 57 8.767 5.510 1 T 3.596e+05 0.00e+00 a 0 H.12 HA.3 58 9.103 5.247 1 T 2.816e+05 0.00e+00 a 0 H.4 HA.11 59 4.074 4.924 1 T 1.751e+06 0.00e+00 a 0 HD2.13 HA.12 60 4.035 4.926 1 T 1.108e+06 0.00e+00 a 0 - - 61 4.072 2.467 1 T 1.037e+05 0.00e+00 a 0 HD2.13 HB2.13 62 2.471 4.444 1 T 8.744e+05 0.00e+00 a 0 HB2.13 HA.13 63 2.226 4.429 1 T 3.178e+05 0.00e+00 a 0 - - 64 2.469 4.075 1 T 1.354e+05 0.00e+00 a 0 HB2.13 HD2.13 65 2.469 4.032 1 T 1.374e+05 0.00e+00 a 0 HB2.13 HD3.13 66 2.203 4.036 1 T 8.538e+05 0.00e+00 a 0 HG2.13 HD3.13 67 2.203 4.074 1 T 7.543e+05 0.00e+00 a 0 HG2.13 HD2.13 68 2.113 4.034 1 T 5.256e+05 0.00e+00 a 0 HG3.13 HD3.13 69 2.112 4.068 1 T 5.875e+05 0.00e+00 a 0 HG3.13 HD2.13 70 2.018 4.036 1 T 4.067e+05 0.00e+00 a 0 HB3.13 HD3.13 71 2.018 4.074 1 T 3.567e+05 0.00e+00 a 0 HB3.13 HD2.13 72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.9 72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.13 72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.9 72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.13 73 7.800 4.442 1 T 3.799e+05 0.00e+00 a 0 H.14 HA.13 74 7.799 4.589 1 T 7.776e+05 0.00e+00 a 0 H.14 HA.14 75 7.799 2.900 1 T 8.163e+05 0.00e+00 a 0 H.14 HB3.14 76 4.032 3.380 1 T 9.379e+05 0.00e+00 a 0 HD3.13 HB2.12 77 4.069 3.376 1 T 7.024e+05 0.00e+00 a 0 - - 78 7.426 6.615 1 T 3.208e+07 0.00e+00 a 0 HD21.14 HD22.14 79 7.583 6.878 1 T 2.824e+07 0.00e+00 a 0 HD22.7 HD21.7 80 9.102 2.597 1 T 5.944e+05 0.00e+00 a 0 H.4 HB3.11 81 9.102 7.719 1 T 3.514e+05 0.00e+00 a 0 H.4 H.10 82 8.422 7.823 1 T 1.089e+06 0.00e+00 a 0 H.1 H.2 83 8.767 2.887 1 T 8.787e+05 0.00e+00 a 0 H.12 HB2.11 84 8.452 1.928 1 T 4.798e+05 0.00e+00 a 0 H.3 HB3.2 85 8.614 1.503 1 T 3.738e+05 0.00e+00 a 0 H.5 HB3.4 86 8.449 0.636 1 T 2.988e+05 0.00e+00 a 0 H.11 QG2.10 87 8.426 4.591 1 T 2.658e+05 0.00e+00 a 0 H.1 HA.14 88 8.766 3.377 1 T 2.497e+05 0.00e+00 a 0 H.12 HB2.12 89 9.099 2.901 1 T 2.721e+05 0.00e+00 a 0 H.4 HB2.3 90 7.839 3.828 1 T 2.856e+05 0.00e+00 a 0 H.2 HA3.1 91 7.800 4.038 1 T 2.265e+05 0.00e+00 a 0 H.14 HD3.13 92 7.799 3.381 1 T 4.980e+05 0.00e+00 a 0 H.14 HB2.12 93 7.837 3.108 1 T 2.564e+05 0.00e+00 a 0 H.2 HB3.12 94 7.798 3.105 1 T 3.763e+05 0.00e+00 a 0 H.14 HB3.12 95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.3 HB3.11 95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.3 HB3.3 95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.11 HB3.11 95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.11 HB3.3 96 9.105 1.502 1 T 1.743e+05 0.00e+00 a 0 H.4 HB3.4 97 9.103 0.636 1 T 1.403e+05 0.00e+00 a 0 H.4 QG2.10 98 9.109 0.997 1 T 1.511e+05 0.00e+00 a 0 H.4 QD1.4 99 8.613 1.686 1 T 2.417e+05 0.00e+00 a 0 H.5 HD2.2 99 8.613 1.686 1 T 2.417e+05 0.00e+00 a 0 H.5 HD3.2 100 8.613 0.952 1 T 2.500e+05 0.00e+00 a 0 H.5 QD2.4 101 8.613 0.993 1 T 2.129e+05 0.00e+00 a 0 H.5 QD1.4 102 8.759 0.820 1 T 1.613e+05 0.00e+00 a 0 H.12 QD1.10 103 8.755 1.669 1 T 1.515e+05 0.00e+00 a 0 H.12 HB.10 104 8.433 1.137 1 T 1.623e+05 0.00e+00 a 0 - - 105 8.441 1.675 1 T 2.065e+05 0.00e+00 a 0 H.11 HB.10 106 8.343 3.733 1 T 2.654e+05 0.00e+00 a 0 H.7 HB3.6 107 7.717 0.639 1 T 1.705e+05 0.00e+00 a 0 H.10 QG2.10 108 7.722 0.997 1 T 2.276e+05 0.00e+00 a 0 H.10 HG13.10 109 7.839 1.402 1 T 1.510e+05 0.00e+00 a 0 H.2 HG2.2 110 7.425 3.225 1 T 3.602e+05 0.00e+00 a 0 HD21.14 HB2.14 111 7.426 2.902 1 T 4.412e+05 0.00e+00 a 0 HD21.14 HB3.14 112 7.312 3.374 1 T 1.903e+05 0.00e+00 a 0 QD.12 HB2.12 113 7.318 3.102 1 T 5.036e+05 0.00e+00 a 0 QD.12 HB3.12 114 7.284 3.103 1 T 1.144e+05 0.00e+00 a 0 - - 115 7.466 3.329 1 T 4.070e+05 0.00e+00 a 0 H.6 HB2.5 116 7.464 3.063 1 T 1.670e+05 0.00e+00 a 0 H.6 HB3.5 117 7.463 2.108 1 T 2.109e+05 0.00e+00 a 0 H.6 HB3.8 118 7.460 1.689 1 T 1.893e+05 0.00e+00 a 0 H.6 HD3.2 119 6.615 3.224 1 T 2.241e+05 0.00e+00 a 0 HD22.14 HB2.14 120 6.614 2.901 1 T 3.282e+05 0.00e+00 a 0 HD22.14 HB3.14 121 6.615 1.938 1 T 1.859e+05 0.00e+00 a 0 HD22.14 HB3.2 122 7.423 1.944 1 T 1.395e+05 0.00e+00 a 0 HD21.14 HB3.2 123 7.581 2.879 1 T 2.143e+05 0.00e+00 a 0 HD22.7 HB2.7 124 7.464 4.432 1 T 3.713e+05 0.00e+00 a 0 H.6 HA.9 125 7.719 1.853 1 T 2.073e+05 0.00e+00 a 0 H.10 HB3.9 126 7.464 3.930 1 T 1.333e+05 0.00e+00 a 0 H.6 HB2.6 127 7.464 3.734 1 T 2.256e+05 0.00e+00 a 0 H.6 HB3.6 128 7.720 1.468 1 T 1.736e+05 0.00e+00 a 0 H.10 HG12.10 129 7.321 0.641 1 T 2.578e+05 0.00e+00 a 0 - QG2.10 130 7.284 0.638 1 T 4.432e+05 0.00e+00 a 0 - QG2.10 131 7.285 0.996 1 T 3.890e+05 0.00e+00 a 0 - HG13.10 132 7.320 0.989 1 T 2.026e+05 0.00e+00 a 0 - HG13.10 133 7.315 0.825 1 T 2.141e+05 0.00e+00 a 0 - QD1.10 134 7.284 0.828 1 T 1.380e+05 0.00e+00 a 0 - QD1.10 135 7.317 1.674 1 T 3.561e+05 0.00e+00 a 0 - HB.10 136 7.282 1.680 1 T 4.258e+05 0.00e+00 a 0 - HB.10 137 7.278 2.286 1 T 2.488e+05 0.00e+00 a 0 - HB2.9 138 7.317 2.258 1 T 2.904e+05 0.00e+00 a 0 - - 139 7.719 2.257 1 T 1.487e+05 0.00e+00 a 0 H.10 HB2.9 140 7.275 2.891 1 T 2.146e+05 0.00e+00 a 0 - - 141 7.324 4.034 1 T 1.749e+05 0.00e+00 a 0 - HD3.13 142 7.655 6.998 1 T 1.061e+06 0.00e+00 a 0 - - 143 7.837 8.420 1 T 7.283e+05 0.00e+00 a 0 H.2 H.1 144 7.800 8.418 1 T 4.827e+05 0.00e+00 a 0 H.2 H.1 145 5.511 5.246 1 T 1.514e+06 0.00e+00 a 0 HA.3 HA.11 146 5.245 5.509 1 T 5.534e+05 0.00e+00 a 0 HA.11 HA.3 147 5.509 2.596 1 T 1.212e+06 0.00e+00 a 0 HA.3 HB3.3 148 5.485 2.911 1 T 9.312e+05 0.00e+00 a 0 HA.3 HB2.3 149 5.238 2.910 1 T 4.724e+05 0.00e+00 a 0 HA.11 HB2.11 150 5.275 2.861 1 T 4.442e+05 0.00e+00 a 0 HA.11 HB2.11 151 5.509 9.103 1 T 1.534e+06 0.00e+00 a 0 HA.3 H.4 152 5.248 8.768 1 T 8.189e+05 0.00e+00 a 0 HA.11 H.12 153 5.515 8.453 1 T 5.794e+05 0.00e+00 a 0 HA.3 H.3 154 5.240 8.447 1 T 3.972e+05 0.00e+00 a 0 HA.11 H.11 155 2.604 5.509 1 T 1.080e+06 0.00e+00 a 0 HB3.3 HA.3 156 2.946 5.515 1 T 4.325e+05 0.00e+00 a 0 HB2.3 HA.3 157 2.913 5.476 1 T 3.544e+05 0.00e+00 a 0 HB2.3 HA.3 158 2.880 5.246 1 T 1.146e+06 0.00e+00 a 0 HB2.11 HA.11 159 2.913 5.240 1 T 5.399e+05 0.00e+00 a 0 - - 160 3.372 4.923 1 T 9.007e+05 0.00e+00 a 0 HB2.12 HA.12 161 3.133 4.926 1 T 2.896e+05 0.00e+00 a 0 HB3.12 HA.12 162 3.114 3.380 1 T 1.439e+07 0.00e+00 a 0 HB3.12 HB2.12 163 3.372 3.108 1 T 1.615e+07 0.00e+00 a 0 HB2.12 HB3.12 164 3.324 4.656 1 T 9.266e+05 0.00e+00 a 0 HB2.5 HA.5 165 3.059 4.616 1 T 3.797e+05 0.00e+00 a 0 HB3.5 HA.5 166 3.319 3.059 1 T 1.468e+07 0.00e+00 a 0 HB2.5 HB3.5 167 3.066 3.326 1 T 1.475e+07 0.00e+00 a 0 HB3.5 HB2.5 168 3.243 4.587 1 T 4.838e+05 0.00e+00 a 0 HB2.14 HA.14 169 3.208 4.587 1 T 6.522e+05 0.00e+00 a 0 HB2.14 HA.14 170 2.878 4.588 1 T 4.773e+05 0.00e+00 a 0 HB3.14 HA.14 171 2.920 4.586 1 T 5.821e+05 0.00e+00 a 0 HB3.14 HA.14 172 2.908 3.226 1 T 1.635e+07 0.00e+00 a 0 HB3.14 HB2.14 173 3.218 2.900 1 T 1.722e+07 0.00e+00 a 0 HB2.14 HB3.14 174 2.960 1.353 1 T -2.353e+05 0.00e+00 a 0 HE3.2 HG3.2 174 2.960 1.353 1 T -2.353e+05 0.00e+00 a 0 HE2.2 HG3.2 175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE2.2 HD3.2 175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE2.2 HD2.2 175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE3.2 HD3.2 175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE3.2 HD2.2 176 1.932 4.474 1 T 6.600e+05 0.00e+00 a 0 HB2.2 HA.2 176 1.932 4.474 1 T 6.600e+05 0.00e+00 a 0 HB3.2 HA.2 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD3.2 HA.2 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD3.2 HA.4 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HG.4 HA.2 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HG.4 HA.4 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD2.2 HA.2 177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD2.2 HA.4 178 1.512 4.464 1 T 3.420e+05 0.00e+00 a 0 HB3.4 HA.4 179 1.693 2.961 1 T 2.432e+06 0.00e+00 a 0 HD3.2 HE2.2 179 1.693 2.961 1 T 2.432e+06 0.00e+00 a 0 HD3.2 HE3.2 180 1.333 1.926 1 T 1.693e+06 0.00e+00 a 0 HG3.2 HB2.2 180 1.333 1.926 1 T 1.693e+06 0.00e+00 a 0 HG3.2 HB3.2 181 1.398 1.927 1 T 1.144e+06 0.00e+00 a 0 HG2.2 HB3.2 181 1.398 1.927 1 T 1.144e+06 0.00e+00 a 0 HG2.2 HB2.2 182 1.352 1.651 1 T 2.049e+05 0.00e+00 a 0 HG3.2 HD2.2 183 1.424 1.668 1 T 3.838e+06 0.00e+00 a 0 HG2.2 HD2.2 183 1.424 1.668 1 T 3.838e+06 0.00e+00 a 0 HG2.2 HD3.2 184 1.941 1.354 1 T 1.231e+06 0.00e+00 a 0 HB3.2 HG3.2 184 1.941 1.354 1 T 1.231e+06 0.00e+00 a 0 HB2.2 HG3.2 185 1.932 1.424 1 T 8.325e+05 0.00e+00 a 0 HB2.2 HG2.2 185 1.932 1.424 1 T 8.325e+05 0.00e+00 a 0 HB3.2 HG2.2 186 1.963 1.410 1 T 9.563e+05 0.00e+00 a 0 - - 187 1.674 1.407 1 T 3.638e+06 0.00e+00 a 0 HD2.2 HG2.2 188 1.675 4.202 1 T 3.781e+05 0.00e+00 a 0 HB.10 HA.10 189 0.991 4.204 1 T 3.212e+05 0.00e+00 a 0 HG13.10 HA.10 190 0.828 4.209 1 T 3.747e+05 0.00e+00 a 0 QD1.10 HA.10 191 0.638 4.206 1 T 5.793e+05 0.00e+00 a 0 QG2.10 HA.10 192 1.697 0.646 1 T 3.698e+05 0.00e+00 a 0 HB.10 QG2.10 193 1.676 1.002 1 T 1.650e+06 0.00e+00 a 0 HB.10 HG13.10 194 1.471 1.002 1 T 5.472e+06 0.00e+00 a 0 HG12.10 HG13.10 195 1.474 0.827 1 T 2.438e+06 0.00e+00 a 0 HG12.10 QD1.10 196 0.636 0.989 1 T 1.649e+05 0.00e+00 a 0 QG2.10 HG13.10 197 0.832 1.001 1 T 1.610e+07 0.00e+00 a 0 QD1.10 HG13.10 198 0.640 1.459 1 T 5.853e+05 0.00e+00 a 0 QG2.10 HG12.10 199 0.663 1.664 1 T 1.430e+05 0.00e+00 a 0 QG2.10 HB.10 200 0.615 1.658 1 T 5.339e+05 0.00e+00 a 0 QG2.10 HB.10 201 0.828 1.658 1 T 5.005e+05 0.00e+00 a 0 QD1.10 HB.10 202 0.821 1.460 1 T 3.803e+06 0.00e+00 a 0 QD1.10 HG12.10 203 0.993 1.465 1 T 5.181e+06 0.00e+00 a 0 HG13.10 HG12.10 204 0.994 1.668 1 T 2.042e+06 0.00e+00 a 0 HG13.10 HB.10 205 4.179 1.665 1 T 3.260e+05 0.00e+00 a 0 - - 206 3.811 4.281 1 T 5.931e+06 0.00e+00 a 0 HA3.1 HA2.1 207 4.299 3.829 1 T 4.202e+06 0.00e+00 a 0 HA2.1 HA3.1 208 4.361 3.932 1 T 4.230e+05 0.00e+00 a 0 HA.6 HB2.6 209 4.368 3.734 1 T 6.123e+05 0.00e+00 a 0 HA.6 HB3.6 210 3.927 4.358 1 T 9.292e+05 0.00e+00 a 0 HB2.6 HA.6 211 3.735 4.350 1 T 7.469e+05 0.00e+00 a 0 HB3.6 HA.6 212 0.944 4.472 1 T 5.583e+05 0.00e+00 a 0 QD2.4 HA.2 213 0.957 1.672 1 T 3.270e+05 0.00e+00 a 0 QD2.4 HG.4 214 0.996 1.505 1 T 7.445e+05 0.00e+00 a 0 QD1.4 HB3.4 215 1.513 1.691 1 T 1.697e+07 0.00e+00 a 0 HB3.4 HG.4 216 1.690 0.942 1 T -1.933e+05 0.00e+00 a 0 HG.4 QD2.4 217 3.394 4.038 1 T 8.815e+05 0.00e+00 a 0 HB2.12 HD3.13 218 3.365 4.038 1 T 9.241e+05 0.00e+00 a 0 HB2.12 HD3.13 219 3.738 3.933 1 T 1.405e+07 0.00e+00 a 0 HB3.6 HB2.6 220 3.925 3.733 1 T 1.487e+07 0.00e+00 a 0 HB2.6 HB3.6 221 2.607 2.922 1 T 8.359e+06 0.00e+00 a 0 HB3.3 HB2.3 222 2.636 2.878 1 T 1.534e+07 0.00e+00 a 0 HB3.7 HB2.7 223 2.866 2.628 1 T 1.502e+07 0.00e+00 a 0 HB2.7 HB3.7 224 2.912 2.591 1 T 4.378e+06 0.00e+00 a 0 HB2.3 HB3.3 225 2.424 1.834 1 T 1.955e+06 0.00e+00 a 0 HB2.8 HG3.8 226 2.095 1.850 1 T 4.642e+06 0.00e+00 a 0 HB3.8 HG3.8 227 1.958 1.834 1 T 1.225e+07 0.00e+00 a 0 HG2.8 HG3.8 228 1.821 2.411 1 T 1.917e+06 0.00e+00 a 0 HG3.8 HB2.8 229 1.862 2.104 1 T 3.938e+06 0.00e+00 a 0 - - 230 1.839 1.964 1 T 8.987e+06 0.00e+00 a 0 HG3.8 HG2.8 231 2.100 2.013 1 T 6.528e+06 0.00e+00 a 0 - - 232 2.399 2.108 1 T 5.320e+06 0.00e+00 a 0 HB2.8 HB3.8 233 2.117 2.412 1 T 7.255e+06 0.00e+00 a 0 HB3.8 HB2.8 234 1.952 2.407 1 T 1.061e+06 0.00e+00 a 0 HG2.8 HB2.8 235 2.217 2.485 1 T 5.581e+05 0.00e+00 a 0 HG2.13 HB2.13 236 2.212 2.443 1 T 7.477e+05 0.00e+00 a 0 HG2.13 HB2.13 237 2.001 2.468 1 T 2.653e+06 0.00e+00 a 0 HB3.13 HB2.13 238 2.024 2.206 1 T 2.659e+06 0.00e+00 a 0 HB3.13 HG2.13 239 2.200 2.019 1 T 3.894e+06 0.00e+00 a 0 HG2.13 HB3.13 240 2.113 2.463 1 T 2.130e+06 0.00e+00 a 0 HG3.13 HB2.13 241 2.482 2.019 1 T 2.887e+06 0.00e+00 a 0 HB2.13 HB3.13 242 2.448 2.210 1 T 4.607e+05 0.00e+00 a 0 HB2.13 HG2.13 243 2.025 2.103 1 T 9.197e+06 0.00e+00 a 0 HB3.13 HG3.13 244 1.686 1.503 1 T 1.386e+07 0.00e+00 a 0 HG.4 HB3.4 245 0.988 0.827 1 T 9.266e+06 0.00e+00 a 0 HG13.10 QD1.10 246 3.118 4.039 1 T 3.150e+05 0.00e+00 a 0 HB3.12 HD3.13 247 3.099 3.240 1 T 8.081e+05 0.00e+00 a 0 HB3.12 HB2.14 248 2.260 4.466 1 T 4.542e+05 0.00e+00 a 0 HB2.9 HA.9 249 2.262 4.392 1 T 5.184e+05 0.00e+00 a 0 HB2.9 HA.9 250 2.008 4.439 1 T 2.948e+05 0.00e+00 a 0 HB3.13 HA.13 251 2.254 3.876 1 T 2.161e+05 0.00e+00 a 0 HB2.9 HD2.9 252 2.113 3.478 1 T 2.531e+05 0.00e+00 a 0 HB3.8 HD3.8 253 1.841 2.255 1 T 1.868e+06 0.00e+00 a 0 - - 254 2.118 2.220 1 T 1.368e+07 0.00e+00 a 0 - - 255 1.668 0.825 1 T 2.235e+05 0.00e+00 a 0 HB.10 QD1.10 256 1.468 0.637 1 T 1.963e+05 0.00e+00 a 0 HG12.10 QG2.10 257 2.274 1.858 1 T 1.549e+06 0.00e+00 a 0 HB2.9 HB3.9 258 3.658 1.851 1 T 2.672e+05 0.00e+00 a 0 HD3.9 HB3.9 259 3.656 2.415 1 T 2.141e+05 0.00e+00 a 0 HD3.9 HB2.8 260 3.876 2.258 1 T 2.294e+05 0.00e+00 a 0 HD2.9 HB2.9 261 4.076 2.217 1 T 4.729e+05 0.00e+00 a 0 HD2.13 HG2.13 262 4.033 2.211 1 T 5.381e+05 0.00e+00 a 0 HD3.13 HG2.13 263 4.100 2.114 1 T 3.500e+05 0.00e+00 a 0 HD2.13 HG3.13 264 4.038 2.113 1 T 5.409e+05 0.00e+00 a 0 HD3.13 HG3.13 265 4.076 2.019 1 T 2.341e+05 0.00e+00 a 0 HD2.13 HB3.13 266 4.038 2.011 1 T 2.536e+05 0.00e+00 a 0 HD3.13 HB3.13 267 4.206 0.997 1 T 3.117e+05 0.00e+00 a 0 HA.10 HG13.10 268 4.206 0.638 1 T 2.808e+05 0.00e+00 a 0 HA.10 QG2.10 269 3.932 4.148 1 T 4.418e+05 0.00e+00 a 0 - - 270 4.141 3.930 1 T 4.157e+05 0.00e+00 a 0 - - 271 3.804 3.982 1 T 3.846e+05 0.00e+00 a 0 HA3.1 HB2.6 272 4.071 4.424 1 T 1.981e+05 0.00e+00 a 0 HD2.13 HA.13 273 6.997 7.657 1 T 1.151e+06 0.00e+00 a 0 - - 274 6.877 7.583 1 T 2.859e+07 0.00e+00 a 0 HD21.7 HD22.7 275 6.614 7.426 1 T 3.232e+07 0.00e+00 a 0 HD22.14 HD21.14 ; 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 . . 30667 1 2 . . H 1 H . . 12 ppm . . . 4.76 . . 30667 1 stop_ save_