######################### # 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 31259 _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 1 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _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 'version 3.6.4' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; G17H1'-H8 5.690 8.109 G17H1'-G18H8 5.686 7.662 G17H2'-H1' 4.858 5.689 G17H2'-H2' 4.856 4.861 G17H2'-H8 4.858 8.110 G17H2'-G18H1' 4.858 5.853 G17H2'-G18H8 4.860 7.661 G17H3'-H1' 4.762 5.688 G17H3'-H2' 4.764 4.863 G17H3'-H8 4.768 8.109 G17H3'-G18H8 4.768 7.661 G17H4'-H1' 4.523 5.692 G17H4'-H2' 4.634 4.878 G17H4'-H8 4.524 8.110 G17H4'-G18H8 4.524 7.659 G17H5'-H1' 4.294 5.691 G17H5'-H8 4.296 8.110 G17H5'-G18H8 4.295 7.661 G17H5''-H1' 4.462 5.692 G17H5''-H1' 4.463 8.112 G17H8-G18H8 8.109 7.660 G18H1'-H1' 5.851 5.850 G18H1'-H8 5.851 7.660 G18H1'-C19H6 5.851 7.687 G18H2'-H1' 4.500 5.851 G18H2'-H8 4.496 7.657 G18H2'-C19H1' 4.503 5.486 G18H2'-C19H5 4.495 5.239 G18H2'-C19H6 4.499 7.690 G18H3'-H1' 4.753 5.850 G18H3'-H8 4.753 7.662 G18H4'-H1' 4.658 5.851 G18H4'-H8 4.659 7.683 G18H4'-C19H6 4.660 7.679 G18H5'-H1' 4.104 5.852 G18H5'-C19H6 4.117 7.683 G18H5''-H1' 4.219 5.852 G18H5''-H8 4.219 7.662 G18H8-G17H8 7.660 8.109 C19H1'-G18H1' 5.490 5.849 C19H1'-H1' 5.487 5.490 C19H1'-H6 5.490 7.686 C19H1'-A20H8 5.486 7.818 C19H2'-H1' 4.544 5.488 C19H2'-H5 4.541 5.235 C19H2'-H6 4.544 7.683 C19H2'-A20H1' 4.542 5.842 C19H2'-A20H2 4.654 6.859 C19H2'-A20H8 4.547 7.825 C19H3'-H1' 4.660 5.486 C19H3'-H1' 4.431 5.486 C19H3'-H6 4.429 7.680 C19H3'-H6 4.660 7.681 C19H5-G18H1' 5.239 5.850 C19H5-H1' 5.234 5.486 C19H5-H6 5.241 7.685 C19H5-A20H8 5.242 7.824 C19H6-A20H8 7.686 7.819 A20H1'-H1' 5.840 5.837 A20H1'-H2 5.840 6.860 A20H1'-H8 5.839 7.821 A20H1'-G21H8 5.841 7.142 A20H2-G21H8 6.862 7.141 A20H2'-H1' 4.451 5.839 A20H2'-H2 4.447 6.863 A20H2'-H8 4.448 7.821 A20H2'-G21H1' 4.451 5.667 A20H2'-G21H8 4.451 7.144 A20H3'-H1' 4.592 5.841 A20H3'-H2 4.593 6.863 A20H3'-H8 4.594 7.822 A20H3'-G21H8 4.592 7.143 A20H4'-H1' 4.492 5.843 A20H4'-H8 4.493 7.817 A20H5'-H1' 4.145 5.841 A20H5'-H8 4.142 7.821 G21H1'-A20H2 5.669 6.861 G21H1'-H1' 5.665 5.667 G21H1'-H8 5.669 7.143 G21H2'-A20H2 3.813 6.864 G21H2'-H1' 3.812 5.668 G21H2'-H8 3.812 7.143 G21H2'-A22H1' 3.814 6.050 G21H3'-A20H2 4.533 6.864 G21H3'-H1' 4.532 5.669 G21H3'-H2' 4.534 3.809 G21H3'-H8 4.533 7.142 G21H4'-A20H2 4.353 6.863 G21H4'-H1' 4.354 5.670 G21H4'-H2' 4.352 3.809 G21H4'-H8 4.354 7.144 G21H5'-H1' 4.129 5.672 G21H5'-H2' 4.135 3.806 G21H5'-H8 4.194 7.142 G21H5''-H1' 4.451 5.667 G21H5''-H1' 4.193 5.667 G21H5''-H2' 4.206 3.808 G21H5''-H8 4.448 7.142 G21H8-A20H2 7.141 6.862 G21H8-A20H8 7.142 7.820 A22H1'-G21H2' 6.050 3.814 A22H1'-G21H2' 6.050 3.814 A22H1'-H1' 6.048 6.046 A22H1'-H1' 5.952 5.951 A22H1'-H2 6.050 8.345 A22H1'-H8 6.051 8.219 A22H2'-H1' 4.689 6.048 A22H2'-H8 4.696 8.214 A22H2'-U23H5 4.688 5.990 A22H3'-H1' 4.818 6.051 A22H3'-H8 4.818 8.214 A22H3'-U23H5 4.820 5.991 A22H3'-U23H6 4.819 7.966 A22H4'-H1' 4.406 6.049 A22H4'-H8 4.404 8.219 A22H5'-H1' 4.138 6.050 A22H5''-H1' 4.207 6.050 A22H5''-H8 4.204 8.217 U23H1'-H1' 6.088 6.088 U23H1'-H6 6.088 7.964 U23H2'-H1' 4.532 6.086 U23H2'-H5 4.530 5.991 U23H2'-H6 4.528 7.964 U23H3'-H1' 4.687 6.085 U23H3'-H5 4.689 5.992 U23H3'-H6 4.685 7.965 U23H4'-H1' 4.471 6.085 U23H4'-H6 4.465 7.963 U23H5-H6 5.993 7.963 U23H5'-H1' 4.202 6.086 U23H5'-H5 4.208 5.994 U23H5'-H6 4.212 7.965 U23H5''-H1' 4.211 6.087 U23H5''-H6 4.213 7.962 U23H6-H1' 7.633 5.564 C24H1'-H1' 5.550 5.552 C24H1'-H6 5.525 7.693 C24H1'-U25H5 5.520 6.047 C24H1'-U25H6 5.526 8.066 C24H2'-H6 4.120 7.687 C24H3'-H1' 4.663 5.520 C24H3'-H5 4.660 5.926 C24H3'-H5' 4.674 3.749 C24H3'-H5'' 4.669 3.901 C24H3'-H6 4.660 7.682 C24H4'-H1' 4.364 5.519 C24H4'-H5 4.364 5.924 C24H4'-H6 4.365 7.692 C24H5-H6 5.924 7.689 C24H5'-H1' 3.753 5.517 C24H5'-H4' 3.750 4.360 C24H5'-H5'' 3.750 3.899 C24H5'-H6 3.750 7.689 C24H5''-H1' 3.903 5.521 C24H5''-H5' 3.907 3.750 C24H5''-H6 3.906 7.689 U25H1'-A22H2 3.880 8.342 U25H1'-H1' 3.886 3.893 U25H1'-H5 3.889 6.047 U25H1'-H6 3.883 8.060 U25H2'-H5 4.645 6.047 U25H2'-H5' 4.646 3.538 U25H2'-H5'' 4.650 4.010 U25H2'-H6 4.644 8.060 U25H2'-G26H8 4.528 7.822 U25H3'-H5 4.403 6.048 U25H3'-H6 4.393 8.062 U25H5-H5 5.997 5.994 U25H5-H6 6.049 8.062 U25H5'-H1' 4.212 6.087 U25H5'-H3' 3.544 4.389 U25H5'-H5'' 3.544 4.010 U25H5'-H6 3.543 8.060 U25H5''-H5 4.011 6.046 U25H5''-H6 4.012 8.059 U25H6-H5' 7.963 4.465 U25H6-H5'' 7.963 4.209 G26H1'-H1' 5.811 5.808 G26H1'-H8 5.797 7.817 G26H1'-A27H1' 5.811 6.168 G26H1'-A27H8 5.799 7.833 G26H2'-H1' 5.072 5.808 G26H2'-H2' 5.073 5.075 G26H2'-H8 5.072 7.831 G26H2'-A27H1' 5.075 6.169 G26H2'-A27H8 5.071 7.831 G26H3'-H1' 4.839 5.808 G26H3'-H2' 4.843 5.072 G26H3'-A27H8 4.842 7.832 G26H4'-H1' 4.582 5.811 G26H4'-H2' 4.581 5.071 G26H4'-H2' 4.580 5.071 G26H5'-H2' 4.401 5.075 G26H5''-H2' 4.173 5.071 G26H8-A22H2 7.825 8.344 G26H8-H8 7.829 7.830 A27H1'-H1' 6.171 6.170 A27H1'-H2 6.167 7.584 A27H1'-H8 6.170 7.834 A27H1'-G28H8 6.167 7.052 A27H2'-H1' 4.765 6.169 A27H2'-H2 4.770 7.586 A27H2'-H8 4.769 7.832 A27H2'-G28H1' 4.767 5.770 A27H2'-G28H8 4.770 7.051 A27H3'-H1' 4.807 6.170 A27H3'-H8 4.807 7.833 A27H3'-G28H8 4.802 7.052 A27H4'-H1' 4.596 6.167 A27H4'-H8 4.582 7.825 A27H4'-G28H8 4.597 7.052 A27H5'-H1' 4.172 6.170 A27H5'-H8 4.173 7.835 A27H5'-G28H8 4.172 7.051 A27H5''-H1' 4.580 6.167 A27H5''-G28H8 4.033 7.050 G28H1'-A27H1' 5.775 6.171 G28H1'-A27H2 5.771 7.584 G28H1'-H1' 5.770 5.769 G28H1'-H8 5.770 7.052 G28H1'-C29H6 5.771 7.142 G28H1''-C29H1' 4.520 5.524 G28H2'-A27H2 4.526 7.586 G28H2'-H1' 4.527 5.771 G28H2'-H8 4.526 7.053 G28H2'-C29H6 4.535 7.145 G28H3'-H1' 4.289 5.768 G28H3'-H8 4.289 7.050 G28H3'-C29H5 4.286 5.197 G28H3'-C29H6 4.292 7.142 G28H4'-H1' 4.435 5.771 G28H4'-H8 4.428 7.051 G28H4'-C29H6 4.431 7.141 G28H5'-H1' 4.034 5.771 G28H5'-H8 4.033 7.050 G28H8-A27H2 7.054 7.586 G28H8-A27H8 7.054 7.833 C29H1'-G28H1' 5.530 5.769 C29H1'-H1' 5.534 5.524 C29H1'-H6 5.527 7.142 C29H1'-C30H1' 5.533 5.752 C29H1'-C30H6 5.528 7.869 C29H1'-U31H6 5.520 8.060 C29H2'-H1' 4.663 5.526 C29H2'-H5 4.659 5.197 C29H2'-H6 4.662 7.143 C29H2'-C30H1' 4.663 5.751 C29H2'-C30H6 4.663 7.871 C29H2'-A35H2 4.658 8.339 C29H3'-H1' 4.191 5.527 C29H3'-H6 4.194 7.144 C29H3'-C30H6 4.190 7.871 C29H4'-H1' 4.430 5.524 C29H4'-H1' 4.449 5.525 C29H4'-H5 4.421 5.198 C29H4'-H6 4.451 7.141 C29H4'-C30H6 4.432 7.881 C29H5-G28H1' 5.197 5.769 C29H5-G28H8 5.197 7.050 C29H5-H1' 5.197 5.526 C29H5-H6 5.200 7.143 C29H5-C30H5 5.199 5.665 C29H5-C30H6 5.202 7.871 C29H5'-H1' 4.028 5.524 C29H5'-H5 4.031 5.198 C29H5'-H6 4.031 7.142 C29H5''-H1' 4.523 5.528 C29H5''-H5 4.526 5.197 C29H5''-H6 4.533 7.143 C29H6-C30H6 7.628 7.872 C29H6-C30H6 7.145 7.872 C30H1'-H1' 5.752 5.751 C30H1'-H3' 5.750 4.504 C30H1'-H6 5.751 7.870 C30H2'-H1' 4.332 5.751 C30H2'-H6 4.332 7.868 C30H3'-H1' 4.504 5.750 C30H3'-H6 4.505 7.860 C30H4'-H1' 4.385 5.752 C30H4'-H1' 4.379 5.755 C30H4'-H6 4.382 7.868 C30H5-C29H6 5.668 7.137 C30H5-H6 5.666 7.871 C30H5'-H1' 4.123 5.753 C30H5'-H6 4.121 7.868 C30H5''-H1' 4.185 5.753 C30H5''-H6 4.187 7.873 U31H1'-H1' 5.521 5.518 U31H1'-H1' 6.051 6.048 U31H1'-H1' 5.566 5.567 U31H1'-H6 6.050 8.063 U31H1'-H6 5.567 7.633 U31H2'-H1' 4.133 5.569 U31H2'-H6 4.131 7.633 U31H5-H6 5.662 7.633 U31H5'-H1' 3.956 5.566 U31H5'-H5 3.545 6.048 U31H5'-H6 3.956 7.632 G32H1'-H1' 5.475 5.483 G32H1'-H8 5.479 7.748 G32H2'-H1' 4.522 5.484 G32H2'-H8 4.522 7.748 G32H3'-H1' 4.345 5.482 G32H3'-H8 4.347 7.749 G32H4'-H1' 4.193 5.485 G32H4'-G33H8 4.182 7.746 G32H5'-H1' 3.907 5.479 G32H5'-H8 3.913 7.747 G32H5''-H1' 4.052 5.483 G32H5''-H5' 4.053 3.898 G32H5''-H8 4.051 7.745 G33H1'-H1' 5.637 5.636 G33H1'-H8 5.634 7.744 G33H2'-H1' 4.745 5.636 G33H2'-H5' 4.745 3.908 G33H2'-H5'' 4.746 4.114 G33H2'-H8 4.747 7.744 G33H3'-H1' 4.656 5.636 G33H3'-H8 4.662 7.748 G33H4'-H5' 4.119 3.906 G33H5'-H1' 3.910 5.635 G33H5'-H8 3.913 7.744 G33H5''-H1' 4.118 5.635 G33H5''-H8 4.117 7.746 G34H1'-H8 5.853 8.097 G34H2'-H1' 4.964 5.853 G34H2'-H2' 4.965 4.962 G34H2'-H8 4.965 8.096 G34H3'-H1' 4.841 5.850 G34H3'-H2' 4.840 4.961 G34H3'-H8 4.840 8.096 G34H4'-H1' 4.304 5.852 G34H4'-H1' 4.670 5.857 G34H4'-H2' 4.669 4.960 G34H5'-H2' 4.226 4.966 G34H5''-H2' 4.089 4.961 A35H2'-H1' 4.874 5.953 A35H2'-H2' 4.816 4.825 G36H1'-H1' 5.644 5.633 G36H1'-H8 5.453 7.895 G36H2'-H8 4.616 7.747 G36H2'-H8 4.612 5.629 G36H2'-C37H5 4.606 5.394 G36H2'-C37H6 4.614 7.258 G36H3'-H1' 4.482 5.631 G36H3'-H8 4.476 7.749 G36H3'-C37H6 4.475 7.255 G36H4'-H1' 4.388 5.630 G36H4'-H8 4.386 7.749 G36H8-H2' 5.635 4.659 C37H1'-H1' 5.511 5.513 C37H1'-H5'' 5.520 4.027 C37H1'-H6 5.511 7.256 C37H1'-U38H6 5.514 7.981 C37H2'-H1' 4.448 5.513 C37H2'-H6 4.443 7.258 C37H2'-U38H6 4.441 7.984 C37H3'-H1' 4.510 5.510 C37H3'-H6 4.492 7.257 C37H3'-U38H6 4.486 7.985 C37H4'-H1' 4.249 5.509 C37H4'-H6 4.251 7.260 C37H4'-U38H6 4.251 7.982 C37H5-H1' 5.389 5.509 C37H5-H6 5.391 7.259 C37H5'-H1' 4.029 5.512 C37H5'-H6 4.031 7.259 C37H5'-U38H6 4.031 7.985 C37H5''-H1' 4.443 5.510 C37H5''-H6 4.446 7.261 C37H6-U38H6 7.258 7.979 U38H1'-A27H2 5.574 7.584 U38H1'-H1' 5.575 5.575 U38H1'-H6 5.575 7.981 U38H1'-C39H6 5.574 8.091 U38H2'-A27H2 4.392 7.585 U38H2'-H1' 4.387 5.574 U38H2'-H6 4.388 7.983 U38H2'-C39H6 4.388 8.095 U38H3'-H1' 4.628 5.576 U38H3'-H6 4.627 7.980 U38H3'-C39H6 4.627 8.090 U38H4'-H1' 4.486 5.577 U38H4'-H6 4.485 7.984 U38H4'-C39H6 4.483 8.088 U38H5-C37H6 5.442 5.631 U38H5-C37H6 5.444 7.256 U38H5-H6 5.442 7.981 U38H5'-H1' 4.127 5.574 U38H5'-H6 4.123 7.981 U38H6-C37H6 7.979 7.258 C39H1'-A27H2 5.705 7.585 C39H1'-H1' 5.705 5.699 C39H1'-H6 5.704 8.093 C39H2'-A27H2 4.611 7.585 C39H2'-H1' 4.607 5.706 C39H2'-H6 4.614 8.092 C39H2'-U40H5 4.605 5.674 C39H2'-U40H6 4.614 7.586 C39H3'-H1' 4.468 5.706 C39H3'-H6 4.483 8.095 C39H3'-U40H6 4.485 7.585 C39H4'-H1' 4.393 5.706 C39H4'-H6 4.384 8.095 C39H5-A27H2 5.629 7.587 C39H5-U38H6 5.631 7.980 C39H5-H6 5.629 8.093 C39H5'-H1' 4.173 5.706 C39H5'-H6 4.170 8.090 C39H5''-H1' 4.174 5.713 C39H5''-H6 4.175 8.089 U40H1'-H1' 5.402 5.397 U40H1'-H5 5.465 5.672 U40H1'-H6 5.403 7.601 U40H1'-C41H5 5.397 5.674 U40H1'-C41H6 5.401 7.856 U40H2'-H1' 4.418 5.396 U40H2'-C41H5 4.415 5.677 U40H2'-C41H6 4.419 7.859 U40H3'-H1' 4.458 5.398 U40H3'-C41H6 4.463 7.861 U40H4'-H1' 4.259 5.394 U40H4'-C41H6 4.261 7.859 U40H5-H6 5.673 7.603 U40H6-C39H5 7.587 5.629 U40H6-H1' 7.600 5.397 C41H1'-H1' 4.828 4.823 C41H1'-H2' 4.828 3.965 C41H1'-H6 4.819 7.859 C41H1'-U42H6 4.828 7.912 C41H2'-H1' 3.965 4.829 C41H2'-H5 3.963 5.671 C41H2'-H6 3.968 7.860 C41H2'-U42H1' 3.968 5.353 C41H2'-U42H5 3.966 5.475 C41H2'-U42H6 3.970 7.910 C41H5-H6 5.683 7.857 C41H5'-H6 4.052 7.859 U42H1'-A20H2 5.357 6.864 U42H1'-C41H6 5.353 7.858 U42H1'-H1' 5.357 5.353 U42H1'-H6 5.357 7.911 U42H1'-G43H1' 5.354 5.731 U42H1'-G43H8 5.354 7.699 U42H2'-H1' 4.425 5.350 U42H2'-H6 4.427 7.909 U42H2'-G43H1' 4.426 5.726 U42H2'-G43H8 4.426 7.703 U42H3'-H1' 4.588 5.353 U42H3'-H5 4.589 5.473 U42H3'-H6 4.585 7.910 U42H3'-G43H8 4.586 7.699 U42H4'-H1' 4.330 5.355 U42H4'-H6 4.330 7.912 U42H5-C41H5 5.475 5.691 U42H5-C41H6 5.475 7.860 U42H5-H6 5.472 7.913 U42H5'-H1' 4.052 5.355 U42H5'-H6 4.051 7.911 G43H1'-A20H2 5.732 6.862 G43H1'-H1' 5.732 5.732 G43H1'-H8 5.732 7.697 G43H1'-C44H6 5.732 7.668 G43H2'-H1' 4.401 5.730 G43H2'-H8 4.396 7.689 G43H2'-C44H1' 4.396 5.429 G43H2'-C44H5 4.403 5.197 G43H2'-C44H6 4.402 7.665 G43H3'-H1' 4.601 5.732 G43H3'-H8 4.597 7.701 G43H3'-C44H5 4.600 5.196 G43H3'-C44H6 4.597 7.664 G43H4'-H1' 4.497 5.730 G43H4'-H8 4.499 7.688 G43H5'-H1' 4.042 5.730 G43H5'-H8 4.044 7.701 G43H5''-H1' 4.097 5.729 G43H5''-H8 4.105 7.697 G43H8-U42H6 7.701 7.911 C44H1'-G43H1' 5.425 5.728 C44H1'-H1' 5.431 5.430 C44H1'-H6 5.428 7.663 C44H1'-C45H6 5.427 7.649 C44H2'-H1' 4.190 5.429 C44H2'-H5 4.191 5.197 C44H2'-H6 4.191 7.662 C44H2'-C45H1' 4.190 5.696 C44H2'-C45H5 4.193 5.484 C44H2'-C45H6 4.192 7.643 C44H3'-H1' 4.519 5.431 C44H4'-H1' 4.656 5.430 C44H4'-H1' 4.443 5.433 C44H4'-H6 4.657 7.660 C44H5-G43H1' 5.201 5.731 C44H5-G43H8 5.198 7.700 C44H5-H1' 5.198 5.430 C44H5-H6 5.200 7.666 C44H5-C45H5 5.199 5.483 C44H5'-H1' 4.031 5.431 C44H5'-H6 4.043 7.663 C44H5''-H1' 4.394 5.430 C44H5''-H5 4.395 5.198 C44H5''-H6 4.403 7.663 C45H1'-H1' 5.693 5.694 C45H1'-H1' 5.675 5.673 C45H1'-H6 5.692 7.645 C45H2'-H1' 3.947 5.696 C45H2'-H5 3.945 5.478 C45H2'-H6 3.951 7.648 C45H3'-H1' 4.453 5.690 C45H3'-H6 4.451 7.649 C45H4'-H1' 4.144 5.694 C45H4'-H1' 4.134 5.694 C45H4'-H6 4.136 7.646 C45H5-H6 5.485 7.650 C45H5'-H1' 4.015 5.695 C45H5'-H6 4.009 7.648 C45H5''-H1' 4.137 5.692 C45H5''-H5 4.136 5.483 C45H5''-H6 4.136 7.646 ; save_