######################### # 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 30660 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 6 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'side chain to side chain NOEs were taken from the spectra in 100% D2O' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # Number of peaks 269 #FORMAT cyana3D #INAME 1 H #INAME 2 h #INAME 3 C #CYANAFORMAT HhC #TOLERANCE 0.02 0.02 0.25 1 3.711 4.741 50.916 1 U 1.82e+06 0 e 0 0 0 0 0 2 4.009 4.740 50.923 1 U 2.16e+06 0 e 0 0 0 0 0 3 3.713 4.005 50.919 1 U 5.39e+06 0 e 0 0 0 0 0 4 4.009 3.713 50.911 1 U 5.01e+06 0 e 0 0 0 0 0 5 4.009 2.021 50.945 1 U 9.21e+05 0 e 0 0 0 0 0 6 3.710 2.013 50.957 1 U 9.92e+05 0 e 0 0 0 0 0 7 3.708 1.771 50.919 1 U 7.99e+05 0 e 0 0 0 0 0 8 4.006 1.774 50.964 1 U 4.49e+05 0 e 0 0 0 0 0 9 5.140 4.906 50.915 1 U 1.42e+06 0 e 0 0 0 0 0 10 5.141 1.326 50.936 1 U 2.31e+06 0 e 0 0 0 0 0 11 4.739 4.009 53.696 1 U 2.25e+06 0 e 0 0 0 0 0 12 4.738 3.714 53.708 1 U 1.71e+06 0 e 0 0 0 0 0 13 4.740 1.757 53.699 1 U 1.64e+06 0 e 0 0 0 0 0 14 4.738 1.483 53.731 1 U 5.55e+05 0 e 0 0 0 0 0 15 4.442 1.686 53.634 1 U 6.36e+05 0 e 0 0 0 0 0 16 4.444 3.161 53.638 1 U 2.27e+05 0 e 0 0 0 0 0 17 4.374 1.587 54.913 1 U 1.27e+06 0 e 0 0 0 0 0 18 4.375 0.818 54.918 1 U 1.59e+06 0 e 0 0 0 0 0 19 4.339 2.946 54.927 1 U 1.14e+06 0 e 0 0 0 0 0 20 4.339 3.005 54.950 1 U 8.94e+05 0 e 0 0 0 0 0 21 4.275 2.307 55.303 1 U 8.19e+05 0 e 0 0 0 0 0 22 4.277 2.043 55.334 1 U 9.97e+05 0 e 0 0 0 0 0 23 4.276 1.956 55.295 1 U 5.89e+05 0 e 0 0 0 0 0 24 5.111 4.824 55.201 1 U 1.29e+06 0 e 0 0 0 0 0 25 5.107 2.841 55.201 1 U 9.56e+05 0 e 0 0 0 0 0 26 4.530 1.733 55.201 1 U 4.27e+05 0 e 0 0 0 0 0 27 3.879 1.448 56.724 1 U 1.32e+06 0 e 0 0 0 0 0 28 3.878 1.919 56.747 1 U 7.21e+05 0 e 0 0 0 0 0 29 3.879 2.092 56.723 1 U 1.46e+06 0 e 0 0 0 0 0 30 4.933 4.032 57.046 1 U 7.99e+05 0 e 0 0 0 0 0 31 4.932 2.889 57.066 1 U 1.86e+06 0 e 0 0 0 0 0 32 4.935 6.982 57.076 1 U 3.62e+05 0 e 0 0 0 0 0 33 5.089 2.616 57.435 1 U 5.8e+05 0 e 0 0 0 0 0 34 5.098 2.973 57.438 1 U 1.36e+06 0 e 0 0 0 0 0 35 5.097 7.001 57.432 1 U 5.73e+05 0 e 0 0 0 0 0 36 5.100 4.742 57.451 1 U 1.24e+06 0 e 0 0 0 0 0 37 4.071 1.795 57.740 1 U 1.51e+06 0 e 0 0 0 0 0 38 4.074 1.446 57.778 1 U 4.55e+05 0 e 0 0 0 0 0 39 4.112 2.831 57.893 1 U 2.81e+06 0 e 0 0 0 0 0 40 4.114 2.673 57.913 1 U 2.39e+06 0 e 0 0 0 0 0 41 4.190 2.369 57.896 1 U 1.43e+06 0 e 0 0 0 0 0 42 4.189 2.229 57.890 1 U 3.97e+06 0 e 0 0 0 0 0 43 4.535 3.841 57.795 1 U 1.39e+06 0 e 0 0 0 0 0 44 4.712 3.048 57.564 1 U 2.13e+06 0 e 0 0 0 0 0 45 4.082 1.839 58.575 1 U 1.98e+06 0 e 0 0 0 0 0 46 4.078 1.461 58.528 1 U 3.43e+05 0 e 0 0 0 0 0 47 4.370 3.905 59.173 1 U 3.08e+06 0 e 0 0 0 0 0 48 4.081 0.812 60.358 1 U 7.27e+05 0 e 0 0 0 0 0 49 4.076 1.098 60.403 1 U 3.47e+05 0 e 0 0 0 0 0 50 4.530 0.981 60.945 1 U 2.27e+06 0 e 0 0 0 0 0 51 4.529 2.122 60.956 1 U 1.24e+06 0 e 0 0 0 0 0 52 4.266 0.882 61.238 1 U 8.82e+05 0 e 0 0 0 0 0 53 4.266 1.988 61.225 1 U 9.98e+05 0 e 0 0 0 0 0 54 4.200 1.893 61.347 1 U 6.5e+05 0 e 0 0 0 0 0 55 4.202 0.921 61.331 1 U 1.18e+06 0 e 0 0 0 0 0 56 4.166 0.860 61.421 1 U 2.02e+06 0 e 0 0 0 0 0 57 4.173 1.931 61.448 1 U 6.58e+05 0 e 0 0 0 0 0 58 4.079 1.779 61.738 1 U 4.61e+05 0 e 0 0 0 0 0 59 4.080 1.022 61.711 1 U 3.95e+05 0 e 0 0 0 0 0 60 4.078 0.865 61.713 1 U 6.43e+05 0 e 0 0 0 0 0 61 4.731 5.099 62.111 1 U 1.18e+06 0 e 0 0 0 0 0 62 4.730 6.993 62.035 1 U 3.94e+05 0 e 0 0 0 0 0 63 4.730 2.118 62.081 1 U 1.25e+06 0 e 0 0 0 0 0 64 4.731 1.777 62.127 1 U 5.38e+05 0 e 0 0 0 0 0 65 3.859 4.531 63.738 1 U 1.12e+06 0 e 0 0 0 0 0 66 3.800 4.531 63.731 1 U 1.15e+06 0 e 0 0 0 0 0 67 3.913 4.371 63.317 1 U 2.2e+06 0 e 0 0 0 0 0 68 3.888 4.380 63.300 1 U 1.68e+06 0 e 0 0 0 0 0 69 3.820 4.826 66.246 1 U 2.05e+06 0 e 0 0 0 0 0 70 4.116 4.824 66.224 1 U 2.42e+06 0 e 0 0 0 0 0 71 3.819 4.117 66.229 1 U 1.5e+07 0 e 0 0 0 0 0 72 4.116 3.815 66.219 1 U 1.29e+07 0 e 0 0 0 0 0 73 4.830 3.834 56.227 1 U 3.45e+06 0 e 0 0 0 0 0 74 4.826 4.121 56.233 1 U 2.32e+06 0 e 0 0 0 0 0 75 4.850 3.243 54.021 1 U 1.94e+06 0 e 0 0 0 0 0 76 4.851 2.960 53.982 1 U 2.03e+06 0 e 0 0 0 0 0 77 4.690 1.622 54.558 1 U 5.32e+05 0 e 0 0 0 0 0 78 4.693 1.845 54.519 1 U 4.08e+05 0 e 0 0 0 0 0 79 4.693 3.198 54.519 1 U 3.96e+05 0 e 0 0 0 0 0 80 2.955 4.849 45.712 1 U 1.77e+06 0 e 0 0 0 0 0 81 3.238 4.849 45.700 1 U 1.62e+06 0 e 0 0 0 0 0 82 3.239 2.955 45.696 1 U 6.36e+06 0 e 0 0 0 0 0 83 2.958 3.243 45.711 1 U 7.12e+06 0 e 0 0 0 0 0 84 2.963 2.223 45.731 1 U 6.57e+05 0 e 0 0 0 0 0 85 3.253 2.223 45.705 1 U 7.6e+05 0 e 0 0 0 0 0 86 3.859 3.961 45.284 1 U 1.12e+07 0 e 0 0 0 0 0 87 3.959 3.857 45.283 1 U 1.15e+07 0 e 0 0 0 0 0 88 2.973 7.004 42.581 1 U 1.13e+06 0 e 0 0 0 0 0 89 2.610 7.004 42.537 1 U 1.19e+06 0 e 0 0 0 0 0 90 2.613 5.097 42.584 1 U 4.86e+05 0 e 0 0 0 0 0 91 2.971 5.090 42.544 1 U 8.49e+05 0 e 0 0 0 0 0 92 2.972 2.607 42.574 1 U 6.27e+06 0 e 0 0 0 0 0 93 2.609 2.972 42.574 1 U 6.55e+06 0 e 0 0 0 0 0 94 1.667 4.384 42.431 1 U 4.69e+05 0 e 0 0 0 0 0 95 1.585 0.884 42.450 1 U 2.77e+05 0 e 0 0 0 0 0 96 1.663 0.891 42.450 1 U 2.19e+05 0 e 0 0 0 0 0 97 1.583 4.380 42.450 1 U 1.71e+05 0 e 0 0 0 0 0 98 3.044 7.221 39.633 1 U 6.73e+05 0 e 0 0 0 0 0 99 3.045 4.707 39.626 1 U 2.09e+06 0 e 0 0 0 0 0 100 1.708 1.439 38.946 1 U 5.7e+05 0 e 0 0 0 0 0 101 1.711 0.817 38.906 1 U 3.97e+05 0 e 0 0 0 0 0 102 1.433 0.825 27.194 1 U 1.1e+06 0 e 0 0 0 0 0 103 1.432 1.112 27.214 1 U 4.52e+06 0 e 0 0 0 0 0 104 1.113 0.821 27.186 1 U 1.28e+06 0 e 0 0 0 0 0 105 1.114 1.428 27.203 1 U 4.12e+06 0 e 0 0 0 0 0 106 1.112 1.696 27.157 1 U 3.59e+05 0 e 0 0 0 0 0 107 0.902 1.172 13.430 1 U 3.77e+06 0 e 0 0 0 0 0 108 0.902 1.507 13.424 1 U 1.4e+06 0 e 0 0 0 0 0 109 0.902 1.886 13.406 1 U 9.2e+05 0 e 0 0 0 0 0 110 0.825 1.188 12.942 1 U 2.31e+06 0 e 0 0 0 0 0 111 0.823 1.977 12.925 1 U 7.29e+05 0 e 0 0 0 0 0 112 0.807 1.365 13.057 1 U 1.91e+06 0 e 0 0 0 0 0 113 0.804 1.025 13.062 1 U 5.29e+06 0 e 0 0 0 0 0 114 0.806 1.795 13.048 1 U 8.78e+05 0 e 0 0 0 0 0 115 0.809 4.075 17.156 1 U 9.18e+05 0 e 0 0 0 0 0 116 2.308 4.275 33.717 1 U 7.41e+05 0 e 0 0 0 0 0 117 2.310 2.043 33.705 1 U 7.48e+06 0 e 0 0 0 0 0 118 2.308 1.971 33.700 1 U 2.2e+06 0 e 0 0 0 0 0 119 2.045 1.942 29.498 1 U 2.02e+07 0 e 0 0 0 0 0 120 1.943 2.039 29.495 1 U 2.27e+07 0 e 0 0 0 0 0 121 1.942 2.303 29.487 1 U 4.79e+06 0 e 0 0 0 0 0 122 2.041 2.304 29.514 1 U 4.13e+06 0 e 0 0 0 0 0 123 2.037 4.273 29.457 1 U 4.61e+05 0 e 0 0 0 0 0 124 1.944 4.276 29.484 1 U 6.58e+05 0 e 0 0 0 0 0 125 0.817 4.378 23.119 1 U 1.27e+06 0 e 0 0 0 0 0 126 0.817 1.583 23.134 1 U 1.19e+06 0 e 0 0 0 0 0 127 1.760 4.744 33.550 1 U 7.39e+05 0 e 0 0 0 0 0 128 1.753 2.880 33.594 1 U 2.16e+05 0 e 0 0 0 0 0 129 1.759 1.505 33.594 1 U 2.94e+06 0 e 0 0 0 0 0 130 2.119 4.735 32.449 1 U 7.6e+05 0 e 0 0 0 0 0 131 1.783 4.728 32.406 1 U 4.14e+05 0 e 0 0 0 0 0 132 2.116 3.987 32.439 1 U 3.42e+05 0 e 0 0 0 0 0 133 1.783 3.988 32.406 1 U 2.15e+05 0 e 0 0 0 0 0 134 1.781 2.148 32.406 1 U 1.7e+06 0 e 0 0 0 0 0 135 1.779 2.015 32.406 1 U 2.68e+06 0 e 0 0 0 0 0 136 2.114 2.015 32.406 1 U 1.97e+06 0 e 0 0 0 0 0 137 2.115 1.778 32.406 1 U 3.14e+06 0 e 0 0 0 0 0 138 2.024 4.733 27.352 1 U 4.47e+05 0 e 0 0 0 0 0 139 2.016 3.988 27.397 1 U 6.83e+05 0 e 0 0 0 0 0 140 2.016 3.715 27.397 1 U 7.48e+05 0 e 0 0 0 0 0 141 2.014 1.786 27.397 1 U 1.74e+06 0 e 0 0 0 0 0 142 1.983 4.268 39.397 1 U 8.35e+05 0 e 0 0 0 0 0 143 1.987 1.375 39.444 1 U 7.11e+05 0 e 0 0 0 0 0 144 1.984 0.880 39.422 1 U 9.57e+05 0 e 0 0 0 0 0 145 1.366 1.029 3.503 1 U 3.38e+06 0 e 0 0 0 0 0 146 1.215 0.856 27.210 1 U 8.89e+05 0 e 0 0 0 0 0 147 1.367 0.840 27.191 1 U 1.14e+06 0 e 0 0 0 0 0 148 1.365 1.209 27.191 1 U 6.29e+06 0 e 0 0 0 0 0 149 1.213 1.368 27.202 1 U 6.12e+06 0 e 0 0 0 0 0 150 1.206 1.971 27.191 1 U 3.02e+05 0 e 0 0 0 0 0 151 1.367 1.971 27.191 1 U 3.74e+05 0 e 0 0 0 0 0 152 0.890 4.263 17.632 1 U 1.34e+06 0 e 0 0 0 0 0 153 0.887 1.980 17.631 1 U 1.78e+06 0 e 0 0 0 0 0 154 2.828 4.112 40.384 1 U 1.97e+06 0 e 0 0 0 0 0 155 2.659 4.112 40.370 1 U 1.27e+06 0 e 0 0 0 0 0 156 2.830 2.676 40.371 1 U 1.5e+07 0 e 0 0 0 0 0 157 2.661 2.835 40.394 1 U 1.09e+07 0 e 0 0 0 0 0 158 2.818 4.828 40.356 1 U 9.27e+05 0 e 0 0 0 0 0 159 2.644 4.828 40.383 1 U 9.58e+05 0 e 0 0 0 0 0 160 2.642 3.234 40.394 1 U 3.14e+05 0 e 0 0 0 0 0 161 2.820 3.227 40.394 1 U 3.43e+05 0 e 0 0 0 0 0 162 2.889 6.986 40.766 1 U 1.64e+06 0 e 0 0 0 0 0 163 2.891 4.932 40.761 1 U 1.32e+06 0 e 0 0 0 0 0 164 2.889 1.720 40.768 1 U 3.21e+05 0 e 0 0 0 0 0 165 1.832 4.074 31.926 1 U 1.19e+06 0 e 0 0 0 0 0 166 1.831 1.468 31.900 1 U 1.08e+06 0 e 0 0 0 0 0 167 1.698 4.074 28.886 1 U 3.56e+05 0 e 0 0 0 0 0 168 1.696 3.005 28.904 1 U 9.11e+05 0 e 0 0 0 0 0 169 1.694 1.468 28.904 1 U 1.03e+07 0 e 0 0 0 0 0 170 1.459 4.079 24.681 1 U 3.48e+05 0 e 0 0 0 0 0 171 1.458 2.976 24.679 1 U 4.28e+05 0 e 0 0 0 0 0 172 1.456 1.697 24.679 1 U 7.79e+06 0 e 0 0 0 0 0 173 2.250 4.191 37.858 1 U 1.14e+06 0 e 0 0 0 0 0 174 2.372 4.191 37.863 1 U 1.2e+06 0 e 0 0 0 0 0 175 2.373 2.241 37.868 1 U 1.78e+07 0 e 0 0 0 0 0 176 2.254 2.373 37.865 1 U 1.37e+07 0 e 0 0 0 0 0 177 2.226 4.189 30.541 1 U 1.55e+06 0 e 0 0 0 0 0 178 2.223 3.249 30.585 1 U 6.75e+05 0 e 0 0 0 0 0 179 2.226 2.949 30.552 1 U 3.99e+05 0 e 0 0 0 0 0 180 2.223 2.359 30.538 1 U 5.06e+06 0 e 0 0 0 0 0 181 2.221 4.853 30.585 1 U 2.9e+05 0 e 0 0 0 0 0 182 3.082 1.327 38.037 1 U 9.21e+05 0 e 0 0 0 0 0 183 2.718 1.327 38.000 1 U 6.8e+05 0 e 0 0 0 0 0 184 2.712 3.091 38.031 1 U 5.87e+06 0 e 0 0 0 0 0 185 3.088 2.710 38.043 1 U 5.82e+06 0 e 0 0 0 0 0 186 3.091 4.801 38.000 1 U 8.38e+05 0 e 0 0 0 0 0 187 2.714 4.816 38.000 1 U 5.12e+05 0 e 0 0 0 0 0 188 4.816 3.085 53.402 1 U 9.92e+05 0 e 0 0 0 0 0 189 4.830 2.718 53.407 1 U 8.38e+05 0 e 0 0 0 0 0 190 1.893 4.200 38.774 1 U 6.02e+05 0 e 0 0 0 0 0 191 1.894 1.515 38.816 1 U 5.34e+05 0 e 0 0 0 0 0 192 1.893 0.906 38.759 1 U 1.54e+06 0 e 0 0 0 0 0 193 1.512 0.904 27.467 1 U 1.26e+06 0 e 0 0 0 0 0 194 1.512 1.174 27.463 1 U 3.71e+06 0 e 0 0 0 0 0 195 1.173 0.891 27.491 1 U 1.88e+06 0 e 0 0 0 0 0 196 1.173 1.512 27.491 1 U 3.15e+06 0 e 0 0 0 0 0 197 1.173 1.897 27.491 1 U 2.51e+05 0 e 0 0 0 0 0 198 1.175 4.195 27.491 1 U 2.1e+05 0 e 0 0 0 0 0 199 1.506 1.889 27.491 1 U 5.68e+05 0 e 0 0 0 0 0 200 1.508 2.843 27.491 1 U 3.89e+05 0 e 0 0 0 0 0 201 0.914 4.198 17.715 1 U 1.75e+06 0 e 0 0 0 0 0 202 0.913 1.892 17.729 1 U 2.02e+06 0 e 0 0 0 0 0 203 0.913 1.187 17.691 1 U 2.68e+06 0 e 0 0 0 0 0 204 1.944 2.895 33.708 1 U 4.82e+05 0 e 0 0 0 0 0 205 1.940 4.151 33.694 1 U 2.97e+05 0 e 0 0 0 0 0 206 1.949 2.311 33.714 1 U 1.5e+06 0 e 0 0 0 0 0 207 1.945 0.847 33.694 1 U 1.16e+06 0 e 0 0 0 0 0 208 0.880 4.161 21.341 1 U 1.4e+06 0 e 0 0 0 0 0 209 0.882 6.994 21.392 1 U 5.08e+05 0 e 0 0 0 0 0 210 0.884 6.779 21.358 1 U 3.6e+05 0 e 0 0 0 0 0 211 0.883 2.872 21.385 1 U 3.04e+05 0 e 0 0 0 0 0 212 0.881 1.934 21.385 1 U 1.49e+06 0 e 0 0 0 0 0 213 1.820 4.074 32.012 1 U 1.07e+06 0 e 0 0 0 0 0 214 1.822 1.467 32.057 1 U 1.31e+06 0 e 0 0 0 0 0 215 3.011 4.341 37.349 1 U 7.19e+05 0 e 0 0 0 0 0 216 2.936 4.328 37.306 1 U 4.06e+05 0 e 0 0 0 0 0 217 1.800 1.539 31.580 1 U 1.14e+06 0 e 0 0 0 0 0 218 1.707 1.571 31.600 1 U 1e+06 0 e 0 0 0 0 0 219 1.713 1.815 31.600 1 U 4.58e+06 0 e 0 0 0 0 0 220 1.803 1.719 31.600 1 U 4.74e+06 0 e 0 0 0 0 0 221 1.325 5.136 21.836 1 U 2.87e+06 0 e 0 0 0 0 0 222 1.328 4.912 21.791 1 U 5.93e+05 0 e 0 0 0 0 0 223 1.328 6.775 21.791 1 U 3.39e+05 0 e 0 0 0 0 0 224 1.326 3.095 21.824 1 U 2e+06 0 e 0 0 0 0 0 225 1.326 2.850 21.792 1 U 1.05e+06 0 e 0 0 0 0 0 226 1.326 2.711 21.820 1 U 1.41e+06 0 e 0 0 0 0 0 227 1.678 1.520 33.600 1 U 1.1e+06 0 e 0 0 0 0 0 228 1.521 3.173 26.705 1 U 7.53e+05 0 e 0 0 0 0 0 229 1.522 1.682 26.685 1 U 2.37e+06 0 e 0 0 0 0 0 230 1.836 1.618 32.686 1 U 1.87e+06 0 e 0 0 0 0 0 231 1.835 1.446 32.694 1 U 4.9e+05 0 e 0 0 0 0 0 232 1.613 1.453 32.694 1 U 3.32e+05 0 e 0 0 0 0 0 233 1.609 1.852 32.694 1 U 1.64e+06 0 e 0 0 0 0 0 234 2.096 1.448 30.082 1 U 7.24e+05 0 e 0 0 0 0 0 235 1.916 1.449 30.066 1 U 6.92e+05 0 e 0 0 0 0 0 236 1.916 2.094 30.103 1 U 4.4e+06 0 e 0 0 0 0 0 237 2.096 1.915 30.099 1 U 5.09e+06 0 e 0 0 0 0 0 238 2.095 3.879 30.097 1 U 7.9e+05 0 e 0 0 0 0 0 239 1.915 3.876 30.063 1 U 5.99e+05 0 e 0 0 0 0 0 240 1.453 3.878 25.285 1 U 6.7e+05 0 e 0 0 0 0 0 241 1.454 2.084 25.297 1 U 6.69e+05 0 e 0 0 0 0 0 242 1.453 1.906 25.276 1 U 8.66e+05 0 e 0 0 0 0 0 243 1.450 1.724 25.253 1 U 2.59e+06 0 e 0 0 0 0 0 244 3.012 1.720 41.886 1 U 1.51e+06 0 e 0 0 0 0 0 245 3.003 1.458 41.893 1 U 6.27e+05 0 e 0 0 0 0 0 246 2.898 5.119 39.582 1 U 4.79e+05 0 e 0 0 0 0 0 247 2.836 5.110 39.562 1 U 5.44e+05 0 e 0 0 0 0 0 248 2.126 0.980 34.530 1 U 2.32e+06 0 e 0 0 0 0 0 249 2.127 4.536 34.541 1 U 8.3e+05 0 e 0 0 0 0 0 250 0.995 4.535 21.416 1 U 1.32e+06 0 e 0 0 0 0 0 251 0.994 2.122 21.418 1 U 2.4e+06 0 e 0 0 0 0 0 252 0.970 4.535 20.948 1 U 9.29e+05 0 e 0 0 0 0 0 253 0.969 2.120 20.972 1 U 2.06e+06 0 e 0 0 0 0 0 254 0.968 3.183 20.985 1 U 6.02e+05 0 e 0 0 0 0 0 255 0.970 1.623 20.985 1 U 1.26e+06 0 e 0 0 0 0 0 256 0.966 1.837 20.985 1 U 7.77e+05 0 e 0 0 0 0 0 257 1.681 1.557 32.300 1 U 1.66e+06 0 e 0 0 0 0 0 258 1.747 1.448 30.777 1 U 7.64e+05 0 e 0 0 0 0 0 259 1.605 1.468 30.791 1 U 6.83e+05 0 e 0 0 0 0 0 260 1.614 1.750 30.755 1 U 2.08e+06 0 e 0 0 0 0 0 261 1.749 1.611 30.750 1 U 2.51e+06 0 e 0 0 0 0 0 262 1.780 4.074 38.756 1 U 4.25e+05 0 e 0 0 0 0 0 263 1.785 1.373 38.806 1 U 4.2e+05 0 e 0 0 0 0 0 264 1.787 0.877 38.800 1 U 5.74e+05 0 e 0 0 0 0 0 265 0.876 4.079 17.564 1 U 1.14e+06 0 e 0 0 0 0 0 266 0.877 1.783 17.581 1 U 1.44e+06 0 e 0 0 0 0 0 267 1.034 0.810 27.506 1 U 1.71e+06 0 e 0 0 0 0 0 268 1.033 1.367 27.504 1 U 3.16e+06 0 e 0 0 0 0 0 269 1.369 0.825 27.491 1 U 1.49e+06 0 e 0 0 0 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 H-aliphatic . . 6000 Hz . . . 4.85 . . 30660 1 2 . . H 1 H-aliphatic . . 6000 Hz . . . 4.85 . . 30660 1 3 . . C 13 C-aliphatic . folded 3610 Hz . . . 43 . . 30660 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30660 _Spectral_peak_list.ID 2 _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 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 'The amide to side chain NOEs were taken from this spectra in 97% water.' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # Number of peaks 37 #FORMAT cyana3D #INAME 1 h #INAME 2 C #INAME 3 H #CYANAFORMAT hCH #TOLERANCE 0.02 0.2 0.02 1 7.953 45.374 3.871 1 U 5.29e+04 0 e 0 0 0 0 0 2 7.949 45.287 3.984 1 U 4.58e+04 0 e 0 0 0 0 0 7 8.444 60.496 4.089 1 U 7.76e+04 0 e 0 0 0 0 0 17 8.452 55.421 4.287 1 U 1.73e+05 0 e 0 0 0 0 0 24 8.445 29.559 2.054 1 U 3.28e+04 0 e 0 0 0 0 0 25 8.448 29.563 1.959 1 U 3.96e+04 0 e 0 0 0 0 0 28 8.472 33.697 2.325 1 U 3.42e+04 0 e 0 0 0 0 0 32 8.365 55.063 4.380 1 U 9.51e+04 0 e 0 0 0 0 0 40 8.460 57.891 4.541 1 U 9.7e+04 0 e 0 0 0 0 0 44 8.324 63.900 3.875 1 U 3.86e+04 0 e 0 0 0 0 0 45 8.322 63.883 3.818 1 U 4.06e+04 0 e 0 0 0 0 0 46 8.467 63.734 3.812 1 U 3.81e+04 0 e 0 0 0 0 0 47 8.468 63.739 3.873 1 U 3.74e+04 0 e 0 0 0 0 0 48 8.486 33.697 1.767 1 U 1.78e+04 0 e 0 0 0 0 0 87 8.939 66.297 4.136 1 U 5.59e+04 0 e 0 0 0 0 0 88 8.937 66.254 3.825 1 U 2.87e+04 0 e 0 0 0 0 0 97 8.908 40.382 2.683 1 U 2.83e+04 0 e 0 0 0 0 0 111 7.492 37.868 2.255 1 U 2.34e+04 0 e 0 0 0 0 0 118 8.049 59.392 4.384 1 U 1.12e+05 0 e 0 0 0 0 0 119 8.210 59.319 4.379 1 U 4.76e+04 0 e 0 0 0 0 0 121 8.217 63.319 3.930 1 U 3.61e+04 0 e 0 0 0 0 0 124 8.025 38.753 1.900 1 U 1.88e+04 0 e 0 0 0 0 0 125 8.125 61.428 4.206 1 U 4.51e+04 0 e 0 0 0 0 0 129 8.563 61.419 4.170 1 U 8.4e+04 0 e 0 0 0 0 0 141 8.148 20.818 0.838 1 U 2.61e+04 0 e 0 0 0 0 0 145 8.045 40.774 2.894 1 U 3.42e+04 0 e 0 0 0 0 0 146 8.769 40.751 2.893 1 U 2.35e+04 0 e 0 0 0 0 0 155 8.628 51.100 5.136 1 U 5.89e+04 0 e 0 0 0 0 0 156 8.630 21.830 1.329 1 U 1.19e+05 0 e 0 0 0 0 0 157 9.457 21.888 1.326 1 U 2.59e+04 0 e 0 0 0 0 0 167 9.489 56.794 3.889 1 U 5e+04 0 e 0 0 0 0 0 180 7.768 42.510 2.622 1 U 1.8e+04 0 e 0 0 0 0 0 183 8.866 39.500 2.832 1 U 1.94e+04 0 e 0 0 0 0 0 184 8.877 39.484 2.913 1 U 2.05e+04 0 e 0 0 0 0 0 187 8.809 61.048 4.529 1 U 1e+05 0 e 0 0 0 0 0 188 9.411 61.107 4.529 1 U 7.96e+04 0 e 0 0 0 0 0 191 8.811 34.446 2.134 1 U 1.82e+04 0 e 0 0 0 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 H-aliphatic . . 7949 Hz . . . 4.85 . . 30660 2 2 . . C 13 C-aliphatic . . 4529 Hz . . . 43 . . 30660 2 3 . . H 1 H-aliphatic . folded 7945 Hz . . . 4.85 . . 30660 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30660 _Spectral_peak_list.ID 3 _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 9 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 3 # Number of peaks 209 #FORMAT cyana3D #INAME 1 H #INAME 2 h #INAME 3 N #CYANAFORMAT HhN #TOLERANCE 0.02 0.02 0.2 1 8.670 4.072 120.165 1 U 2.01e+05 0 e 0 0 0 0 0 2 8.670 3.065 120.200 1 U 1.61e+05 0 e 0 0 0 0 0 3 8.206 4.737 124.601 1 U 1.23e+06 0 e 0 0 0 0 0 4 8.211 4.122 124.542 1 U 1.66e+05 0 e 0 0 0 0 0 5 8.202 3.069 124.616 1 U 2.47e+05 0 e 0 0 0 0 0 6 8.209 1.737 124.580 1 U 5.33e+05 0 e 0 0 0 0 0 7 8.205 1.450 124.605 1 U 1.87e+05 0 e 0 0 0 0 0 8 8.211 1.129 124.551 1 U 8.83e+04 0 e 0 0 0 0 0 9 8.209 0.815 124.551 1 U 8.74e+04 0 e 0 0 0 0 0 10 8.458 4.105 125.338 1 U 2.61e+06 0 e 0 0 0 0 0 11 8.458 4.308 125.400 1 U 2.08e+06 0 e 0 0 0 0 0 12 8.458 2.331 125.336 1 U 3.31e+05 0 e 0 0 0 0 0 13 8.459 2.065 125.340 1 U 8.08e+05 0 e 0 0 0 0 0 14 8.459 1.961 125.337 1 U 8.43e+05 0 e 0 0 0 0 0 15 8.461 1.658 125.293 1 U 1.29e+06 0 e 0 0 0 0 0 16 8.459 0.831 125.344 1 U 4.65e+05 0 e 0 0 0 0 0 17 8.338 4.555 116.565 1 U 5.49e+05 0 e 0 0 0 0 0 18 8.340 4.396 116.551 1 U 1.9e+06 0 e 0 0 0 0 0 19 8.340 3.839 116.545 1 U 6.89e+05 0 e 0 0 0 0 0 20 8.342 1.612 116.562 1 U 4.27e+05 0 e 0 0 0 0 0 21 8.459 4.760 124.300 1 U 2.11e+05 0 e 0 0 0 0 0 22 8.466 4.556 124.290 1 U 1.05e+06 0 e 0 0 0 0 0 23 8.467 3.853 124.305 1 U 2.14e+05 0 e 0 0 0 0 0 24 8.464 1.775 124.272 1 U 8.45e+05 0 e 0 0 0 0 0 25 8.462 1.503 124.282 1 U 1.78e+05 0 e 0 0 0 0 0 26 8.057 5.106 115.760 1 U 3.31e+05 0 e 0 0 0 0 0 27 8.058 4.742 115.757 1 U 1.7e+06 0 e 0 0 0 0 0 28 8.059 3.895 115.763 1 U 2.17e+05 0 e 0 0 0 0 0 29 8.055 3.259 115.706 1 U 1.3e+05 0 e 0 0 0 0 0 30 8.056 2.979 115.776 1 U 3.13e+05 0 e 0 0 0 0 0 31 8.056 2.152 115.773 1 U 1.96e+05 0 e 0 0 0 0 0 32 8.058 1.802 115.729 1 U 3.06e+05 0 e 0 0 0 0 0 33 9.260 8.237 116.867 1 U 1.91e+06 0 e 0 0 0 0 0 34 9.260 4.864 116.859 1 U 1.13e+06 0 e 0 0 0 0 0 35 9.256 4.286 116.839 1 U 2.42e+05 0 e 0 0 0 0 0 36 9.261 3.260 116.872 1 U 5.16e+05 0 e 0 0 0 0 0 37 9.258 2.971 116.790 1 U 1.25e+05 0 e 0 0 0 0 0 38 9.260 2.253 116.839 1 U 2.04e+05 0 e 0 0 0 0 0 39 9.258 2.005 116.851 1 U 5.08e+05 0 e 0 0 0 0 0 40 9.256 1.392 116.860 1 U 1.92e+05 0 e 0 0 0 0 0 41 9.256 1.231 116.849 1 U 4.75e+05 0 e 0 0 0 0 0 42 9.258 0.909 116.855 1 U 2.28e+05 0 e 0 0 0 0 0 43 8.231 9.264 116.385 1 U 2.1e+06 0 e 0 0 0 0 0 44 8.229 4.288 116.415 1 U 1.26e+05 0 e 0 0 0 0 0 45 8.229 4.156 116.391 1 U 1.57e+05 0 e 0 0 0 0 0 46 8.232 3.847 116.327 1 U 1.89e+05 0 e 0 0 0 0 0 47 8.231 3.259 116.389 1 U 6.09e+05 0 e 0 0 0 0 0 48 8.233 2.231 116.380 1 U 2.51e+05 0 e 0 0 0 0 0 49 8.232 2.009 116.379 1 U 3.79e+05 0 e 0 0 0 0 0 50 8.226 0.904 116.378 1 U 1.24e+05 0 e 0 0 0 0 0 51 8.228 1.226 116.377 1 U 9.25e+04 0 e 0 0 0 0 0 52 8.229 1.394 116.382 1 U 9.4e+04 0 e 0 0 0 0 0 53 8.243 2.409 116.395 1 U 8.53e+04 0 e 0 0 0 0 0 54 8.233 2.978 116.398 1 U 9.27e+04 0 e 0 0 0 0 0 55 8.922 8.172 121.687 1 U 5.41e+05 0 e 0 0 0 0 0 56 8.923 4.847 121.701 1 U 1.48e+06 0 e 0 0 0 0 0 57 8.922 4.143 121.689 1 U 1.43e+06 0 e 0 0 0 0 0 58 8.922 3.845 121.687 1 U 2.35e+05 0 e 0 0 0 0 0 59 8.922 2.854 121.721 1 U 4.29e+05 0 e 0 0 0 0 0 60 8.922 2.711 121.703 1 U 8.94e+05 0 e 0 0 0 0 0 61 8.168 8.923 118.009 1 U 3.09e+05 0 e 0 0 0 0 0 62 8.169 7.526 118.030 1 U 3.82e+05 0 e 0 0 0 0 0 63 8.168 4.120 118.043 1 U 6.71e+05 0 e 0 0 0 0 0 64 8.167 2.707 118.045 1 U 2.85e+05 0 e 0 0 0 0 0 65 8.168 1.857 118.037 1 U 1.1e+06 0 e 0 0 0 0 0 66 8.169 1.479 118.041 1 U 2.88e+05 0 e 0 0 0 0 0 67 8.169 2.858 118.018 1 U 1.11e+05 0 e 0 0 0 0 0 68 7.522 8.175 116.418 1 U 6.63e+05 0 e 0 0 0 0 0 69 7.519 4.205 116.413 1 U 5.53e+05 0 e 0 0 0 0 0 70 7.518 4.110 116.416 1 U 3.23e+05 0 e 0 0 0 0 0 71 7.524 2.397 116.423 1 U 3.01e+05 0 e 0 0 0 0 0 72 7.520 2.244 116.416 1 U 1.86e+06 0 e 0 0 0 0 0 73 7.520 1.858 116.414 1 U 4.61e+05 0 e 0 0 0 0 0 74 7.605 8.209 116.253 1 U 3.63e+05 0 e 0 0 0 0 0 75 7.604 4.214 116.267 1 U 1.77e+05 0 e 0 0 0 0 0 76 7.605 4.119 116.276 1 U 2.02e+05 0 e 0 0 0 0 0 77 7.603 3.101 116.248 1 U 2.02e+05 0 e 0 0 0 0 0 78 7.604 2.735 116.251 1 U 9.74e+05 0 e 0 0 0 0 0 79 7.602 2.235 116.281 1 U 2.21e+05 0 e 0 0 0 0 0 80 8.203 7.612 117.804 1 U 2.61e+05 0 e 0 0 0 0 0 81 8.201 4.396 117.862 1 U 3.15e+05 0 e 0 0 0 0 0 82 8.204 3.928 117.819 1 U 5.28e+05 0 e 0 0 0 0 0 83 8.201 3.088 117.810 1 U 1.05e+05 0 e 0 0 0 0 0 84 8.031 4.398 120.275 1 U 8.34e+05 0 e 0 0 0 0 0 85 8.032 4.217 120.270 1 U 1.5e+05 0 e 0 0 0 0 0 86 8.035 3.928 120.270 1 U 2.19e+05 0 e 0 0 0 0 0 87 8.034 1.914 120.275 1 U 4.47e+05 0 e 0 0 0 0 0 88 8.029 1.529 120.211 1 U 1.65e+05 0 e 0 0 0 0 0 89 8.032 1.201 120.303 1 U 1.94e+05 0 e 0 0 0 0 0 90 8.028 0.928 120.243 1 U 1.93e+05 0 e 0 0 0 0 0 91 8.137 4.218 124.049 1 U 1.26e+06 0 e 0 0 0 0 0 92 8.134 1.961 124.050 1 U 6.19e+05 0 e 0 0 0 0 0 93 8.138 0.863 124.053 1 U 4.45e+05 0 e 0 0 0 0 0 94 8.558 4.186 124.816 1 U 1.29e+06 0 e 0 0 0 0 0 95 8.558 4.084 124.816 1 U 3.97e+05 0 e 0 0 0 0 0 96 8.559 1.962 124.836 1 U 1.68e+05 0 e 0 0 0 0 0 97 8.558 1.816 124.808 1 U 8.84e+05 0 e 0 0 0 0 0 98 8.558 1.473 124.838 1 U 1.58e+05 0 e 0 0 0 0 0 99 8.558 0.897 124.843 1 U 2.4e+05 0 e 0 0 0 0 0 100 8.638 8.024 114.618 1 U 3.16e+05 0 e 0 0 0 0 0 101 8.636 4.375 114.601 1 U 8.69e+05 0 e 0 0 0 0 0 102 8.636 4.095 114.608 1 U 1.11e+06 0 e 0 0 0 0 0 103 8.635 3.013 114.629 1 U 1.71e+05 0 e 0 0 0 0 0 104 8.629 1.797 114.534 1 U 2.19e+05 0 e 0 0 0 0 0 105 8.635 1.482 114.552 1 U 1e+05 0 e 0 0 0 0 0 106 8.633 0.901 114.592 1 U 1.07e+05 0 e 0 0 0 0 0 107 8.022 8.642 117.135 1 U 4.71e+05 0 e 0 0 0 0 0 108 8.025 7.007 117.129 1 U 2.69e+05 0 e 0 0 0 0 0 109 8.024 4.929 117.148 1 U 2.78e+05 0 e 0 0 0 0 0 110 8.022 4.372 117.089 1 U 2.83e+05 0 e 0 0 0 0 0 111 8.023 2.913 117.137 1 U 9.13e+05 0 e 0 0 0 0 0 112 8.024 0.889 117.115 1 U 2.06e+05 0 e 0 0 0 0 0 113 8.022 4.093 117.156 1 U 8.79e+04 0 e 0 0 0 0 0 114 8.776 4.932 121.108 1 U 4.78e+05 0 e 0 0 0 0 0 115 8.773 4.545 121.105 1 U 1.92e+05 0 e 0 0 0 0 0 116 8.779 2.919 121.125 1 U 3e+05 0 e 0 0 0 0 0 117 8.776 1.754 121.072 1 U 3.14e+05 0 e 0 0 0 0 0 118 8.779 1.627 121.109 1 U 1.47e+05 0 e 0 0 0 0 0 119 8.650 1.341 127.068 1 U 8.49e+05 0 e 0 0 0 0 0 120 8.651 1.629 127.062 1 U 1.41e+05 0 e 0 0 0 0 0 121 8.648 1.832 127.137 1 U 1.67e+05 0 e 0 0 0 0 0 122 8.648 4.541 127.066 1 U 1.47e+06 0 e 0 0 0 0 0 123 8.651 5.146 127.092 1 U 1.84e+05 0 e 0 0 0 0 0 124 8.608 9.442 117.623 1 U 2.11e+05 0 e 0 0 0 0 0 125 8.603 5.144 117.710 1 U 9.27e+05 0 e 0 0 0 0 0 126 8.605 4.466 117.725 1 U 1.62e+05 0 e 0 0 0 0 0 127 8.607 1.704 117.662 1 U 2.98e+05 0 e 0 0 0 0 0 128 8.603 1.538 117.647 1 U 2.33e+05 0 e 0 0 0 0 0 129 8.601 1.331 117.692 1 U 3.57e+05 0 e 0 0 0 0 0 130 9.442 4.467 122.616 1 U 1.2e+06 0 e 0 0 0 0 0 131 9.442 4.137 122.635 1 U 4.01e+05 0 e 0 0 0 0 0 132 9.440 2.840 122.641 1 U 7.05e+05 0 e 0 0 0 0 0 133 9.441 2.667 122.611 1 U 4.35e+05 0 e 0 0 0 0 0 134 9.441 1.721 122.611 1 U 4.73e+05 0 e 0 0 0 0 0 135 9.441 1.540 122.602 1 U 1.17e+05 0 e 0 0 0 0 0 136 9.302 7.775 131.193 1 U 1.46e+05 0 e 0 0 0 0 0 137 9.299 4.722 131.214 1 U 1.76e+05 0 e 0 0 0 0 0 138 9.305 1.851 131.240 1 U 1.83e+05 0 e 0 0 0 0 0 139 9.297 1.628 131.230 1 U 2.93e+05 0 e 0 0 0 0 0 140 9.299 0.997 131.211 1 U 1.01e+05 0 e 0 0 0 0 0 141 9.473 7.958 125.664 1 U 2.74e+05 0 e 0 0 0 0 0 142 9.474 4.719 125.639 1 U 1.96e+06 0 e 0 0 0 0 0 143 9.475 3.903 125.642 1 U 1.9e+06 0 e 0 0 0 0 0 144 9.478 2.114 125.616 1 U 1.5e+05 0 e 0 0 0 0 0 145 9.476 1.917 125.599 1 U 1.12e+05 0 e 0 0 0 0 0 146 9.476 1.658 125.664 1 U 1.07e+05 0 e 0 0 0 0 0 147 9.474 1.466 125.639 1 U 5.24e+05 0 e 0 0 0 0 0 148 7.958 9.474 102.332 1 U 4.59e+05 0 e 0 0 0 0 0 149 7.954 4.722 102.328 1 U 1.06e+05 0 e 0 0 0 0 0 150 7.959 4.007 102.341 1 U 6.42e+05 0 e 0 0 0 0 0 151 7.958 3.900 102.402 1 U 1.93e+06 0 e 0 0 0 0 0 152 7.770 9.308 118.492 1 U 5.32e+05 0 e 0 0 0 0 0 153 7.774 7.028 118.492 1 U 4.09e+05 0 e 0 0 0 0 0 154 7.773 5.108 118.507 1 U 5.19e+05 0 e 0 0 0 0 0 155 7.774 4.006 118.502 1 U 2.53e+05 0 e 0 0 0 0 0 156 7.770 3.893 118.478 1 U 3.43e+05 0 e 0 0 0 0 0 157 7.771 2.996 118.454 1 U 3e+05 0 e 0 0 0 0 0 158 7.772 2.634 118.479 1 U 9.36e+05 0 e 0 0 0 0 0 159 8.861 5.107 120.179 1 U 1.86e+06 0 e 0 0 0 0 0 160 8.861 2.944 120.173 1 U 1.03e+06 0 e 0 0 0 0 0 161 8.860 2.637 120.191 1 U 1.41e+05 0 e 0 0 0 0 0 162 9.433 8.610 123.294 1 U 2.25e+05 0 e 0 0 0 0 0 163 9.434 5.132 123.304 1 U 1.36e+06 0 e 0 0 0 0 0 164 9.436 4.545 123.320 1 U 1.5e+05 0 e 0 0 0 0 0 165 9.435 2.147 123.330 1 U 3.34e+05 0 e 0 0 0 0 0 166 9.434 0.995 123.307 1 U 6.3e+05 0 e 0 0 0 0 0 167 9.425 2.852 123.217 1 U 8.82e+04 0 e 0 0 0 0 0 168 8.788 9.419 124.275 1 U 9.49e+04 0 e 0 0 0 0 0 169 8.789 4.544 124.208 1 U 1.29e+06 0 e 0 0 0 0 0 170 8.786 4.879 124.227 1 U 1.35e+05 0 e 0 0 0 0 0 171 8.791 2.141 124.208 1 U 2.11e+05 0 e 0 0 0 0 0 172 8.789 1.690 124.213 1 U 4.58e+05 0 e 0 0 0 0 0 173 8.787 1.528 124.232 1 U 2.3e+05 0 e 0 0 0 0 0 174 8.788 1.004 124.231 1 U 2.59e+05 0 e 0 0 0 0 0 175 8.581 1.705 122.381 1 U 6.2e+05 0 e 0 0 0 0 0 176 8.583 4.548 122.358 1 U 1.65e+05 0 e 0 0 0 0 0 177 8.575 1.593 122.371 1 U 2.53e+05 0 e 0 0 0 0 0 178 8.583 1.791 122.401 1 U 2.63e+05 0 e 0 0 0 0 0 179 8.580 8.784 122.370 1 U 2.6e+05 0 e 0 0 0 0 0 180 8.579 5.143 122.389 1 U 1.5e+05 0 e 0 0 0 0 0 181 8.580 4.895 122.377 1 U 1.11e+06 0 e 0 0 0 0 0 182 8.762 4.558 125.370 1 U 1.14e+06 0 e 0 0 0 0 0 183 8.770 4.077 125.366 1 U 2.02e+05 0 e 0 0 0 0 0 184 8.761 1.782 125.365 1 U 4.85e+05 0 e 0 0 0 0 0 185 8.762 1.637 125.376 1 U 5.34e+05 0 e 0 0 0 0 0 186 8.765 1.476 125.382 1 U 1.24e+05 0 e 0 0 0 0 0 187 8.344 7.859 123.706 1 U 5.89e+05 0 e 0 0 0 0 0 188 8.346 4.932 123.703 1 U 3.13e+05 0 e 0 0 0 0 0 189 8.344 4.071 123.707 1 U 2.52e+06 0 e 0 0 0 0 0 190 8.344 1.805 123.701 1 U 9.66e+05 0 e 0 0 0 0 0 191 8.340 1.634 123.638 1 U 1.45e+05 0 e 0 0 0 0 0 192 8.345 1.398 123.694 1 U 5.94e+05 0 e 0 0 0 0 0 193 8.345 1.055 123.701 1 U 3.34e+05 0 e 0 0 0 0 0 194 8.349 0.895 123.667 1 U 1.38e+05 0 e 0 0 0 0 0 195 7.852 8.346 127.654 1 U 3.49e+05 0 e 0 0 0 0 0 196 7.852 4.108 127.672 1 U 7.34e+05 0 e 0 0 0 0 0 197 7.853 1.815 127.706 1 U 3.58e+05 0 e 0 0 0 0 0 198 7.853 1.725 127.651 1 U 2.38e+05 0 e 0 0 0 0 0 199 7.851 1.558 127.651 1 U 1.57e+05 0 e 0 0 0 0 0 200 7.851 1.469 127.651 1 U 1.84e+05 0 e 0 0 0 0 0 201 7.852 0.888 127.651 1 U 1.13e+05 0 e 0 0 0 0 0 202 7.594 6.919 112.233 1 U 1.13e+07 0 e 0 0 0 0 0 203 6.913 7.595 112.232 1 U 8.47e+06 0 e 0 0 0 0 0 204 7.596 2.337 112.234 1 U 1.85e+05 0 e 0 0 0 0 0 205 7.577 7.036 112.554 1 U 6.51e+06 0 e 0 0 0 0 0 206 7.032 7.580 112.553 1 U 5.68e+06 0 e 0 0 0 0 0 207 7.029 3.019 112.566 1 U 9.81e+04 0 e 0 0 0 0 0 208 7.576 3.009 112.550 1 U 3.74e+05 0 e 0 0 0 0 0 209 5.838 8.261 112.551 1 U -1.07e+03 0 e 0 0 0 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 H-aliphatic . . 8012 Hz . . . 4.85 . . 30660 3 2 . . H 1 H-aliphatic . . 8012 Hz . . . 4.85 . . 30660 3 3 . . N 15 N . . 1450 Hz . . . 120 . . 30660 3 stop_ save_