######################### # 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 34565 _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 ; Assignment w1 w2 A1H1'-H8 5.969 7.826 A1H2"-H1' 2.424 5.965 A1H2"-H4' 2.420 3.730 A1H2"-H8 2.419 7.826 A1H2'-H1' 1.856 5.965 A1H2'-H4' 1.856 3.730 A1H2'-H8 1.857 7.826 A1H3'-H1' 4.562 5.965 A1H3'-H8 4.562 7.826 A1H4'-H1' 3.730 5.964 A1H4'-H8 3.730 7.826 A1H5"-H1' 2.858 5.967 A1H5"-H4' 2.857 3.730 A1H5"-H8 2.855 7.826 A1H5'-H1' 3.231 5.965 A1H5'-H4' 3.235 3.730 A1H5'-H8 3.234 7.826 A1H5'-G2H8 3.232 7.282 G2H1'-H8 5.958 7.280 G2H1'-G3H8 5.956 7.965 G2H2"-H1' 3.548 5.958 G2H2"-H8 3.551 7.280 G2H2"-G3H8 3.551 7.964 G2H2'-H1' 2.851 5.952 G2H2'-H5' 2.856 4.198 G2H2'-H8 2.857 7.280 G2H2'-G3H8 2.858 7.964 G2H3'-H1' 4.795 5.959 G2H3'-H8 4.795 7.281 G2H3'-G3H8 4.798 7.964 G2H4'-H1' 4.327 5.954 G2H4'-H8 4.331 7.280 G2H5"-H1' 4.124 5.958 G2H5"-H8 4.125 7.280 G2H5'-H1' 4.202 5.957 G2H5'-H4' 4.211 4.339 G2H5'-H8 4.203 7.280 G2H5'-G3H8 4.202 7.963 G2H8-A1H8 7.295 7.833 G2H8-G3H8 7.283 7.962 G3H1'-G2H8 5.723 7.283 G3H1'-H8 5.719 7.964 G3H2"-G2H8 2.650 7.281 G3H2"-H1' 2.657 5.720 G3H2"-H4' 2.632 4.332 G3H2"-H8 2.656 7.963 G3H2"-G4H8 2.656 7.139 G3H2'-G2H8 2.515 7.281 G3H2'-H1' 2.516 5.721 G3H2'-H4' 2.515 4.335 G3H2'-H8 2.520 7.963 G3H2'-G4H8 2.521 7.137 G3H3'-G2H1' 4.932 5.957 G3H3'-G2H8 4.935 7.281 G3H3'-H1' 4.927 5.720 G3H3'-H8 4.933 7.962 G3H3'-G4H8 4.929 7.137 G3H4'-H1' 4.333 5.718 G3H4'-H3' 4.336 4.938 G3H4'-H8 4.327 7.960 G3H5'/5"-H1' 4.122 5.720 G3H5'/5"-H8 4.125 7.962 G4H1'-H8 5.721 7.140 G4H2"-H1' 2.396 5.740 G4H2"-H4' 2.390 4.286 G4H2"-H5'/5" 2.390 4.116 G4H2"-H8 2.399 7.138 G4H2"-A5H5' 2.393 3.977 G4H2"-A5H8 2.399 7.727 G4H2'-H1' 1.778 5.739 G4H2'-H4' 1.778 4.285 G4H2'-H5'/5" 1.778 4.113 G4H2'-H8 1.778 7.139 G4H2'-A5H5' 1.777 3.978 G4H2'-A5H8 1.776 7.732 G4H3'-H1' 4.767 5.720 G4H3'-H8 4.775 7.140 G4H4'-H1' 4.290 5.737 G4H4'-H8 4.288 7.140 G4H5'/5"-H1' 4.123 5.738 G4H5'/5"-H4' 4.125 4.289 G4H5'/5"-H8 4.118 7.141 G4H8-G3H8 7.140 7.963 G4H8-A5H8 7.146 7.730 A5H1'-H2 5.725 7.711 A5H1'-H8 5.726 7.731 A5H1'-G6H8 5.723 7.485 A5H1'-G7H8 5.734 7.573 A5H2"-H1' 2.302 5.724 A5H2"-H4' 2.300 4.152 A5H2"-H5" 2.302 3.918 A5H2"-H8 2.298 7.732 A5H2"-G6H8 2.296 7.484 A5H2'-H1' 2.247 5.724 A5H2'-H4' 2.249 4.153 A5H2'-H5" 2.245 3.917 A5H2'-H8 2.243 7.731 A5H2'-G6H8 2.229 7.482 A5H3'-H8 4.761 7.732 A5H3'-G6H8 4.759 7.486 A5H4'-H1' 4.156 5.723 A5H4'-H8 4.148 7.730 A5H4'-G6H8 4.150 7.487 A5H5"-H1' 3.929 5.727 A5H5"-H4' 3.931 4.152 A5H5"-H5' 3.926 3.978 A5H5"-H8 3.929 7.732 A5H5'-G4H8 3.984 7.139 A5H5'-H1' 3.982 5.724 A5H5'-H4' 3.980 4.152 A5H5'-H8 3.975 7.733 G6H1'-A5H1' 5.219 5.737 G6H1'-H8 5.216 7.485 G6H1'-G7H8 5.218 7.574 G6H2'/2"-A5H1' 2.135 5.720 G6H2'/2"-A5H4' 2.139 4.151 G6H2'/2"-H1' 2.140 5.218 G6H2'/2"-H5" 2.139 3.827 G6H2'/2"-H5' 2.139 3.916 G6H2'/2"-H8 2.139 7.485 G6H3'-H1' 4.570 5.218 G6H3'-H8 4.567 7.486 G6H4'-A5H2 3.977 7.711 G6H4'-H1' 3.977 5.219 G6H4'-H8 3.979 7.485 G6H5"-A5H1' 3.825 5.723 G6H5"-H4' 3.828 3.975 G6H5"-H5' 3.825 3.914 G6H5"-H8 3.821 7.485 G6H5"-G7H8 3.836 7.572 G6H5'-H8 3.921 7.486 G6H5'-G7H8 3.913 7.575 G7H1'-H8 5.607 7.574 G7H2"-H1' 2.300 5.608 G7H2"-H4' 2.300 3.973 G7H2"-H5" 2.296 3.694 G7H2"-H5' 2.297 3.743 G7H2"-H8 2.301 7.573 G7H2"-T8H4' 2.295 3.857 G7H2'-H1' 2.138 5.608 G7H2'-H4' 2.142 3.976 G7H2'-H5" 2.147 3.694 G7H2'-H5' 2.142 3.743 G7H2'-H8 2.140 7.573 G7H2'-T8H4' 2.143 3.857 G7H3'-H1' 4.595 5.607 G7H3'-H8 4.589 7.573 G7H4'-H1' 3.975 5.606 G7H4'-H8 3.974 7.574 G7H5"-H1' 3.681 5.607 G7H5"-H4' 3.689 3.972 G7H5"-H5' 3.692 3.750 G7H5"-H8 3.686 7.573 G7H5'-G6H1' 3.759 5.219 G7H5'-G6H8 3.741 7.485 G7H5'-H1' 3.755 5.606 G7H5'-H4' 3.749 3.973 G7H5'-H8 3.751 7.573 T8H1'-H6 5.483 6.916 T8H2"-H1' 2.076 5.482 T8H2"-H3' 2.076 4.362 T8H2"-H4' 2.076 3.857 T8H2"-H6 2.076 6.916 T8H2'-H1' 1.743 5.482 T8H2'-H3' 1.741 4.362 T8H2'-H4' 1.740 3.857 T8H2'-H6 1.742 6.916 T8H3'-H1' 4.366 5.482 T8H3'-H6 4.366 6.916 T8H4'-H1' 3.858 5.481 T8H4'-H3' 3.858 4.362 T8H4'-H6 3.857 6.916 T8H5"-H1' 3.355 5.482 T8H5"-H4' 3.347 3.857 T8H5"-H6 3.352 6.916 T8H5'-H1' 3.643 5.486 T8H5'-H3' 3.646 4.364 T8H5'-H4' 3.651 3.857 T8H5'-H6 3.646 6.916 T8H6-A5H8 6.914 7.730 T8H7-A5H2 1.164 7.711 T8H7-A5H8 1.165 7.729 T8H7-H1' 1.165 5.480 T8H7-H6 1.169 6.916 T8H7-G22H8 1.169 7.655 G9H1'-H8 6.227 7.431 G9H2"-H1' 3.651 6.226 G9H2"-H3' 3.649 4.945 G9H2"-H8 3.651 7.432 G9H2"-G11H1' 3.643 5.754 G9H2'-H1' 2.629 6.224 G9H2'-H3' 2.634 4.945 G9H2'-H5" 2.619 3.919 G9H2'-H5' 2.624 4.127 G9H2'-H8 2.629 7.431 G9H2'-T10H5" 2.628 4.069 G9H3'-H1' 4.924 6.226 G9H3'-H8 4.923 7.432 G9H4'-H1' 4.467 6.225 G9H4'-H8 4.466 7.433 G9H5"-H1' 3.920 6.226 G9H5"-H4' 3.920 4.472 G9H5"-H5' 3.919 4.135 G9H5"-H8 3.919 7.432 G9H5'-H1' 4.137 6.226 G9H5'-H4' 4.134 4.473 G9H5'-H8 4.134 7.433 G9H8-A5H8 7.416 7.732 T10H1'-H6 6.379 7.718 T10H2"-G9H8 2.537 7.433 T10H2"-H1' 2.546 6.376 T10H2"-H6 2.545 7.723 T10H2'-G9H8 2.328 7.433 T10H2'-H1' 2.332 6.375 T10H2'-H6 2.327 7.720 T10H3'-H1' 4.915 6.374 T10H3'-H6 4.918 7.719 T10H4'-G9H1' 4.375 6.225 T10H4'-G9H8 4.374 7.433 T10H4'-H1' 4.378 6.372 T10H4'-H6 4.376 7.718 T10H5"-G9H1' 4.064 6.223 T10H5"-G9H8 4.062 7.430 T10H5"-H1' 4.066 6.373 T10H5"-H4' 4.065 4.377 T10H5"-H5' 4.082 4.236 T10H5"-H6 4.066 7.719 T10H5'-G9H8 4.218 7.434 T10H5'-H1' 4.239 6.375 T10H5'-H6 4.221 7.718 T10H7-H1' 1.815 6.376 T10H7-H6 1.811 7.719 G11H1'-H8 5.753 7.160 G11H1'-G12H8 5.749 7.921 G11H2"-G9H8 2.793 7.431 G11H2"-H1' 2.806 5.749 G11H2"-H5" 2.807 4.100 G11H2"-H8 2.806 7.162 G11H2"-G12H8 2.806 7.921 G11H2'-H1' 2.611 5.750 G11H2'-H5" 2.611 4.102 G11H2'-H8 2.612 7.162 G11H2'-G12H8 2.607 7.921 G11H3'-G9H8 4.750 7.432 G11H3'-H1' 4.749 5.752 G11H3'-H8 4.750 7.161 G11H3'-G12H8 4.745 7.919 G11H4'-H1' 4.464 5.750 G11H4'-H8 4.466 7.161 G11H4'-G12H8 4.468 7.922 G11H5"-H1' 4.098 5.757 G11H5"-H5' 4.098 4.285 G11H5"-H8 4.099 7.159 G11H5'-H1' 4.290 5.752 G11H5'-H8 4.292 7.162 G11H8-G12H8 7.158 7.920 G12H1'-G11H8 5.820 7.161 G12H1'-H8 5.827 7.922 G12H1'-C13H5 5.842 6.067 G12H1'-C13H6 5.829 7.943 G12H2"-H1' 2.506 5.824 G12H2"-H3' 2.499 4.972 G12H2"-H4' 2.501 4.289 G12H2"-H5'/5" 2.507 4.100 G12H2"-H8 2.506 7.921 G12H2"-C13H1' 2.496 6.203 G12H2'-H1' 2.229 5.824 G12H2'-H3' 2.227 4.976 G12H2'-H4' 2.230 4.289 G12H2'-H5'/5" 2.233 4.097 G12H2'-H8 2.227 7.922 G12H2'-C13H1' 2.223 6.205 G12H3'-G11H1' 4.975 5.749 G12H3'-H1' 4.971 5.825 G12H3'-H8 4.979 7.920 G12H4'-H1' 4.288 5.823 G12H4'-H8 4.287 7.921 G12H5'/5"-H1' 4.091 5.823 G12H5'/5"-H3' 4.099 4.976 G12H5'/5"-H8 4.104 7.922 C13H1'-H6 6.200 7.941 C13H2"-H1' 2.429 6.200 C13H2"-H5" 2.416 3.960 C13H2"-H5' 2.418 4.055 C13H2"-H6 2.427 7.942 C13H2"-C14H5 2.427 5.388 C13H2"-C14H6 2.427 7.272 C13H2'-G12H1' 1.908 5.825 C13H2'-H1' 1.909 6.199 C13H2'-H5" 1.910 3.959 C13H2'-H5' 1.909 4.055 C13H2'-H6 1.909 7.941 C13H2'-C14H6 1.901 7.277 C13H3'-H1' 4.635 6.200 C13H3'-H6 4.638 7.942 C13H3'-C14H6 4.637 7.278 C13H4'-H1' 4.326 6.204 C13H4'-H6 4.330 7.942 C13H5-H6 6.062 7.938 C13H5"-G12H1' 3.961 5.829 C13H5"-H1' 3.952 6.203 C13H5"-H4' 3.959 4.331 C13H5"-H5' 3.959 4.058 C13H5"-H6 3.959 7.942 C13H5'-H1' 4.058 6.204 C13H5'-H4' 4.062 4.329 C13H5'-H6 4.058 7.940 C14H1'-H6 5.865 7.274 C14H1'-T15H6 5.861 7.065 C14H2"-H1' 2.171 5.867 C14H2"-H4' 2.170 4.023 C14H2"-H5 2.171 5.388 C14H2"-H5" 2.164 3.709 C14H2"-H5' 2.169 3.814 C14H2"-H6 2.172 7.275 C14H2"-T15H4' 2.178 3.975 C14H2"-T15H6 2.179 7.062 C14H2'-H1' 1.325 5.867 C14H2'-H4' 1.325 4.023 C14H2'-H5 1.325 5.388 C14H2'-H5" 1.324 3.705 C14H2'-H5' 1.325 3.812 C14H2'-H6 1.325 7.276 C14H2'-T15H4' 1.325 3.973 C14H2'-T15H6 1.326 7.064 C14H3'-C13H1' 4.482 6.203 C14H3'-H1' 4.482 5.869 C14H3'-H6 4.482 7.276 C14H3'-T15H6 4.483 7.064 C14H4'-H1' 4.022 5.868 C14H4'-H6 4.024 7.278 C14H5-H1' 5.387 5.873 C14H5-H6 5.387 7.274 C14H5"-C13H1' 3.704 6.202 C14H5"-H1' 3.713 5.867 C14H5"-H4' 3.701 4.023 C14H5"-H5 3.710 5.384 C14H5"-H5' 3.706 3.813 C14H5"-H6 3.706 7.277 C14H5'-C13H1' 3.821 6.202 C14H5'-H1' 3.818 5.867 C14H5'-H4' 3.820 4.023 C14H5'-H5 3.815 5.387 C14H5'-H6 3.818 7.277 T15H1'-G12H8 5.638 7.919 T15H1'-H6 5.639 7.063 T15H2'/2"-G12H8 2.298 7.922 T15H2'/2"-H1' 2.302 5.636 T15H2'/2"-H5" 2.298 3.731 T15H2'/2"-H5' 2.299 3.816 T15H2'/2"-H6 2.300 7.063 T15H3'-H1' 4.719 5.637 T15H3'-H6 4.719 7.064 T15H4'-H1' 3.974 5.634 T15H4'-H6 3.971 7.063 T15H5"-H1' 3.714 5.633 T15H5"-H4' 3.722 3.974 T15H5"-H6 3.718 7.063 T15H5'-H1' 3.820 5.636 T15H5'-H4' 3.800 3.975 T15H5'-H6 3.818 7.063 T15H6-G12H8 7.065 7.921 T15H7-A1H8 0.987 7.826 T15H7-G12H1' 0.986 5.825 T15H7-G12H8 0.986 7.922 T15H7-C13H1' 0.986 6.199 T15H7-C13H4' 0.987 4.331 T15H7-C13H5' 0.987 4.053 T15H7-C14H1' 0.986 5.868 T15H7-C14H4' 0.987 4.025 T15H7-C14H5 0.988 5.387 T15H7-C14H5" 0.987 3.703 T15H7-C14H5' 0.986 3.814 T15H7-C14H6 0.986 7.276 T15H7-H1' 0.988 5.637 T15H7-H4' 0.987 3.965 T15H7-H6 0.986 7.064 G16H1'-H8 6.018 7.383 G16H1'-G17H8 6.022 7.835 G16H2"-H1' 3.336 6.017 G16H2"-H8 3.333 7.383 G16H2"-G17H8 3.333 7.835 G16H2'-H1' 2.945 6.016 G16H2'-H5" 2.937 4.151 G16H2'-H8 2.944 7.383 G16H2'-G17H5" 2.938 4.085 G16H2'-G17H5' 2.925 4.317 G16H2'-G17H8 2.944 7.835 G16H3'-H1' 4.823 6.015 G16H3'-H8 4.823 7.383 G16H3'-G17H8 4.825 7.834 G16H4'-H1' 4.380 6.017 G16H4'-H8 4.377 7.384 G16H5"-H1' 4.153 6.017 G16H5"-H4' 4.154 4.381 G16H5"-H8 4.151 7.383 G16H5"-G17H8 4.153 7.834 G16H5'-T15H1' 4.250 5.639 G16H5'-H1' 4.255 6.018 G16H5'-H4' 4.229 4.378 G16H5'-H8 4.250 7.380 G16H5'-G17H8 4.258 7.834 G16H8-G17H8 7.384 7.835 G17H1'-G16H8 5.895 7.382 G17H1'-H8 5.895 7.834 G17H1'-G18H8 5.892 7.730 G17H2"-G16H8 2.730 7.384 G17H2"-H1' 2.729 5.898 G17H2"-H3' 2.731 4.958 G17H2"-H5" 2.719 4.081 G17H2"-H5' 2.721 4.317 G17H2"-H8 2.733 7.835 G17H2"-G18H8 2.731 7.730 G17H2'-G16H8 2.456 7.384 G17H2'-H1' 2.459 5.892 G17H2'-H3' 2.466 4.959 G17H2'-H8 2.457 7.834 G17H2'-G18H8 2.461 7.731 G17H3'-G16H1' 4.961 6.019 G17H3'-G16H8 4.951 7.384 G17H3'-H1' 4.960 5.893 G17H3'-H8 4.959 7.835 G17H3'-G18H8 4.958 7.732 G17H4'-H1' 4.371 5.889 G17H4'-H3' 4.366 4.953 G17H4'-H8 4.372 7.835 G17H4'-G18H8 4.375 7.729 G17H5"-G16H8 4.079 7.383 G17H5"-H5' 4.088 4.316 G17H5"-H8 4.087 7.834 G17H5"-G18H3' 4.084 5.015 G17H5'-G16H1' 4.300 6.017 G17H5'-G16H8 4.313 7.383 G17H5'-H8 4.311 7.836 G17H5'-G18H3' 4.329 5.016 G18H1'-H8 6.360 7.727 G18H2"-H1' 2.600 6.363 G18H2"-H3' 2.599 5.020 G18H2"-H8 2.604 7.732 G18H2'-H1' 2.546 6.362 G18H2'-H3' 2.545 5.021 G18H2'-H8 2.543 7.735 G18H3'-H1' 5.022 6.358 G18H3'-H8 5.021 7.731 G18H4'-H1' 4.586 6.360 G18H4'-H3' 4.580 5.020 G18H4'-H8 4.582 7.729 G18H4'-C19H6 4.585 7.910 G18H5'/5"-G17H1' 4.228 5.892 G18H5'/5"-H1' 4.243 6.360 G18H5'/5"-H3' 4.239 5.017 G18H5'/5"-H8 4.234 7.731 C19H1'-H6 6.381 7.910 C19H2"-H1' 2.720 6.382 C19H2"-H3' 2.723 4.999 C19H2"-H5'/5" 2.724 4.255 C19H2"-H6 2.722 7.910 C19H2'-H1' 2.226 6.382 C19H2'-H3' 2.226 4.999 C19H2'-H5'/5" 2.228 4.253 C19H2'-H6 2.223 7.911 C19H3'-H1' 5.002 6.378 C19H3'-H6 4.998 7.909 C19H4'-H1' 4.727 6.379 C19H4'-H3' 4.731 5.009 C19H4'-H6 4.722 7.908 C19H5-H1' 6.066 6.387 C19H5-H6 6.062 7.907 C19H5'/5"-H1' 4.265 6.381 C19H5'/5"-H3' 4.253 5.004 C19H5'/5"-H6 4.255 7.910 C19H5'/5"-G20H1' 4.252 5.926 G20H1'-H8 5.928 7.177 G20H1'-G21H8 5.927 8.099 G20H2"-H1' 2.896 5.924 G20H2"-H3' 2.896 5.014 G20H2"-H5'/5" 2.885 4.127 G20H2"-H8 2.895 7.176 G20H2"-G21H8 2.897 8.099 G20H2'-H1' 2.724 5.922 G20H2'-H3' 2.723 5.010 G20H2'-H5'/5" 2.723 4.132 G20H2'-H8 2.722 7.176 G20H2'-G21H8 2.721 8.098 G20H3'-H1' 5.009 5.922 G20H3'-H8 5.009 7.176 G20H4'-H1' 4.332 5.925 G20H4'-H8 4.334 7.177 G20H5'/5"-H1' 4.124 5.926 G20H5'/5"-H8 4.125 7.176 G20H8-G21H8 7.179 8.099 G21H1'-H8 5.802 8.098 G21H1'-G22H8 5.802 7.654 G21H2'/2"-H1' 2.600 5.801 G21H2'/2"-H3' 2.606 4.993 G21H2'/2"-H5" 2.599 4.126 G21H2'/2"-H5' 2.604 4.343 G21H2'/2"-H8 2.603 8.099 G21H2'/2"-G22H8 2.602 7.654 G21H3'-H1' 5.001 5.800 G21H3'-H8 5.006 8.099 G21H3'-G22H8 4.992 7.655 G21H4'-G20H1' 4.546 5.925 G21H4'-G20H8 4.549 7.178 G21H4'-H8 4.546 8.099 G21H5"-H1' 4.126 5.804 G21H5"-H3' 4.127 4.992 G21H5"-H5' 4.123 4.340 G21H5"-H8 4.120 8.099 G21H5'-H1' 4.345 5.802 G21H5'-H3' 4.345 4.994 G21H5'-H8 4.333 8.099 G22H1'-H8 6.327 7.655 G22H2"-H1' 2.460 6.325 G22H2"-H4' 2.471 4.303 G22H2"-H5" 2.471 4.142 G22H2"-H5' 2.476 4.196 G22H2"-H8 2.461 7.654 G22H2'-H1' 2.382 6.326 G22H2'-H4' 2.383 4.303 G22H2'-H5" 2.384 4.144 G22H2'-H5' 2.378 4.195 G22H2'-H8 2.384 7.654 G22H3'-H1' 4.596 6.327 G22H3'-H8 4.598 7.655 G22H4'-H1' 4.308 6.326 G22H4'-H8 4.320 7.654 G22H5"-H1' 4.152 6.326 G22H5"-H5' 4.134 4.193 G22H5"-H8 4.140 7.654 G22H5'-G21H1' 4.202 5.803 G22H5'-H1' 4.197 6.322 G22H5'-H8 4.196 7.654 G22H8-G21H8 7.654 8.100 ; 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 . folded 10 ppm . . . 4.703 . . 34565 1 2 . . H 1 H . folded 10 ppm . . . 4.703 . . 34565 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 34565 _Spectral_peak_list.ID 2 _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 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 ; Assignment w1 w2 A1H1'-G12H1 5.972 11.901 A1H2"-H5" 2.407 2.862 A1H2"-H5' 2.418 3.239 A1H2"-G2H1 2.424 11.206 A1H2'-H2" 1.855 2.418 A1H2'-H5" 1.869 2.872 A1H2'-H5' 1.858 3.237 A1H2'-G2H1 1.859 11.207 A1H3'-G2H1 4.562 11.207 A1H4'-G2H1 3.724 11.206 A1H5"-H5' 2.862 3.236 A1H5"-G2H1 2.860 11.207 A1H5'-G2H1 3.248 11.206 G2H1-A1H2 11.206 7.266 G2H1-A1H8 11.204 7.827 G2H1-G12H1 11.206 11.904 G2H1-G20H1 11.191 11.439 G2H1-G20H8 11.201 7.179 G2H1-G21H1 11.205 11.661 G2H1'-H1 5.959 11.206 G2H2"-G21H1 3.543 11.662 G2H2'-H2" 2.852 3.544 G2H2'-G12H1 2.851 11.899 G2H2'-G21H1 2.853 11.660 G2H21/22-H1 8.921 11.206 G2H21/22-H1' 8.916 5.960 G2H21/22-G20H8 8.901 7.176 G3H1-G4H1' 11.742 5.741 G3H1-G11H8 11.748 7.169 G3H1-G12H1 11.748 11.902 G3H1'-G22H1 5.729 11.369 G3H2"-G22H1 2.650 11.367 G3H2'-H2" 2.514 2.646 G3H2'-G22H1 2.513 11.369 G3H21/22-H1 10.164 11.749 G3H21/22-G4H1 10.167 11.108 G3H21/22-G4H1' 10.166 5.742 G3H21/22-G11H8 10.165 7.167 G4H1-G3H1 11.102 11.749 G4H1-A5H2 11.106 7.712 G4H1-G9H8 11.101 7.433 G4H1-G11H8 11.113 7.165 G4H1-G22H1 11.120 11.376 G4H1'-G3H1 5.742 11.749 G4H1'-H1 5.739 11.105 G4H2'-G3H2" 1.763 2.648 G4H2'-G3H2' 1.769 2.530 G4H2'-H2" 1.773 2.386 G4H21/22-H1 9.029 11.113 A5H2-T8H6 7.714 6.913 G7H2'-H2" 2.143 2.294 T8H1'-A5H2 5.466 7.710 T8H1'-G9H1 5.480 11.052 T8H1'-G18H1 5.478 10.992 T8H2"-H5" 2.081 3.351 T8H2"-H5' 2.093 3.649 T8H2"-G9H1 2.078 11.051 T8H2'-H2" 1.737 2.077 T8H2'-H5" 1.741 3.350 T8H2'-H5' 1.745 3.646 T8H2'-G9H1 1.740 11.052 T8H3'-G9H1 4.355 11.052 T8H4'-G9H1 3.854 11.050 T8H5"-G7H4' 3.365 3.974 T8H5"-H3' 3.355 4.358 T8H5"-H4' 3.354 3.855 T8H5"-H5' 3.351 3.645 T8H6-G9H1 6.908 11.052 T8H6-G18H1 6.910 10.994 T8H7-G4H1 1.166 11.105 T8H7-H2" 1.170 2.079 T8H7-H2' 1.169 1.740 T8H7-H5" 1.172 3.348 T8H7-H5' 1.168 3.644 T8H7-G9H1 1.165 11.050 T8H7-G18H1 1.169 10.994 T8H7-G18H2" 1.171 2.595 T8H7-G18H2' 1.175 2.549 T8H7-G22H1 1.160 11.369 G9H1-G11H1 11.062 11.530 G9H1-G17H8 11.051 7.835 G9H1-G18H8 11.052 7.723 G9H1'-G11H1 6.220 11.527 G9H2"-H1 3.652 11.051 G9H2"-T10H5" 3.629 4.067 G9H2"-G11H1 3.648 11.529 G9H2'-H2" 2.623 3.645 T10H2'-H2" 2.324 2.536 G11H1-G3H1 11.512 11.755 G11H1-G17H8 11.538 7.832 G11H2"-H1 2.802 11.518 G11H2'-H1 2.613 11.523 G11H2'-H2" 2.603 2.794 G12H1-A1H8 11.900 7.827 G12H1-G2H8 11.900 7.276 G12H2'-H2" 2.235 2.505 G12H21/22-A1H5" 9.508 2.887 G12H5'/5"-G16H1 4.097 11.510 C13H2'-G12H2" 1.915 2.503 C13H2'-H2" 1.902 2.426 C14H2'-H2" 1.334 2.172 C14H2'-T15H2'/2" 1.332 2.300 C14H5-A1H8 5.406 7.829 T15H1'-G16H1 5.638 11.510 T15H2'/2"-G16H1 2.295 11.511 T15H3'-G16H1 4.718 11.518 T15H7-G12H1 0.976 11.900 T15H7-G12H2" 0.980 2.503 T15H7-G12H2' 0.980 2.229 T15H7-C13H2" 0.980 2.424 T15H7-C13H2' 0.980 1.910 T15H7-C14H2" 0.982 2.174 T15H7-C14H2' 0.982 1.335 T15H7-H2'/2" 0.980 2.300 T15H7-G16H1 0.982 11.513 G16H1-A1H8 11.503 7.825 G16H1-G12H1 11.518 11.904 G16H1-G12H8 11.511 7.920 G16H1-T15H6 11.513 7.059 G16H2"-H1 3.328 11.525 G16H2"-H5" 3.332 4.152 G16H2"-H5' 3.326 4.244 G16H2"-G17H5" 3.327 4.092 G16H2"-G17H5' 3.335 4.317 G16H2'-H1 2.934 11.524 G16H2'-H2" 2.936 3.327 G16H5'-H1 4.253 11.510 G17H1-G21H8 11.423 8.093 G17H2"-G9H1 2.721 11.052 G17H2"-G16H2" 2.727 3.329 G17H2'-G9H1 2.467 11.052 G17H2'-G16H2" 2.453 3.321 G17H2'-G16H2' 2.459 2.936 G17H2'-H2" 2.459 2.728 G17H21/22-H1 9.512 11.422 G17H21/22-G18H1 9.499 10.994 G17H21/22-G18H1' 9.521 6.355 G17H21/22-G21H8 9.512 8.093 G18H1-G17H1 10.999 11.422 G18H1-G21H1 10.991 11.666 G18H1-G21H1' 10.991 5.799 G18H1-G21H8 10.995 8.092 G18H1-G22H8 10.994 7.654 G18H2"-H1 2.611 10.994 G18H2'-H1 2.561 10.994 G18H21/22-H1 9.009 10.995 C19H2'-H2" 2.224 2.722 C19H3'-G18H1 5.000 10.995 C19H3'-G20H1 5.002 11.426 G20H1-A1H2 11.434 7.266 G20H1-G16H8 11.432 7.385 G20H1'-H1 5.932 11.431 G20H2"-G17H1 2.894 11.424 G20H2'-H1 2.718 11.424 G20H2'-H2" 2.718 2.886 G21H1-G3H8 11.662 7.960 G21H21/22-G3H8 9.887 7.959 G21H21/22-H1 9.917 11.661 G22H1-G3H1 11.374 11.754 G22H1-G3H8 11.368 7.957 G22H1-G4H8 11.367 7.138 G22H1-G21H1 11.372 11.661 G22H1'-H1 6.313 11.368 G22H2'-H2" 2.376 2.462 ; 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 . folded 18 ppm . . . 4.705 . . 34565 2 2 . . H 1 H . folded 18 ppm . . . 4.705 . . 34565 2 stop_ save_