######################### # 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 34735 _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 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 T1C7-H6 1.808 7.641 T1H1'-H6 6.195 7.642 T1H2'-H1' 2.315 6.173 T1H2'-H6 2.313 7.641 T1H2'-FC2H6 2.312 7.667 T1H2''-H1' 2.646 6.182 T1H2''-H6 2.645 7.642 T1H2''-FC2H6 2.643 7.666 T1H3'-H6 4.778 7.641 T1H6-H1' 7.652 6.180 T1Q5'-H6 3.803 7.641 T1'H1'-C7 6.192 1.798 FC2H1'-H6 6.333 7.667 FC2H1'-FC6H1' 6.333 6.569 FC2H2'-H1' 5.229 6.330 FC2H2'-H6 5.224 7.667 FC2H2'-FC6H1' 5.229 6.569 FC2H3'-H6 4.947 7.667 FC2H4'-T1H1' 4.199 6.182 FC2H4'-H1' 4.190 6.329 FC2H41-H42 8.760 9.245 FC2H5-T1C7 6.024 1.803 FC2H5-H41 6.026 8.755 FC2H5-H42 6.029 9.244 FC2H5-H6 6.027 7.668 FC2H6-H1' 7.673 6.332 FC2Q5'-H6 4.191 7.667 FC2H2'-F2' 5.230 -194.530 FC2H3'-F2' 4.973 -194.536 FC2H6-F2' 7.651 -194.538 FC3H1'-H6 6.423 7.573 FC3H1'-FC5H1' 6.423 6.286 FC3H1'-FC6H1' 6.427 6.569 FC3H2'-H1' 5.727 6.410 FC3H2'-H6 5.730 7.573 FC3H2'-FC5H1' 5.726 6.283 FC3H2'-FC5H2' 5.728 5.553 FC3H3'-H1' 4.914 6.411 FC3H3'-H2' 4.916 5.721 FC3H3'-H6 4.916 7.574 FC3H4'-H1' 4.171 6.410 FC3H4'-H2' 4.746 5.719 FC3H4'-FC6H1' 4.174 6.569 FC3H41-H42 8.397 9.231 FC3H41-H3 8.385 15.762 FC3H42-H3 9.231 15.761 FC3H5-H41 5.939 8.386 FC3H5-H42 5.939 9.232 FC3H5-H6 5.938 7.573 FC3H6-H1' 7.581 6.409 FC3H6-H5 7.586 5.924 FC3Q5'-H2' 4.171 5.727 FC3H2'-F2' 5.734 -189.286 FC3H3'-F2' 4.926 -189.292 FC3H41-FC5F2' 8.387 -192.254 FC3H42-FC5F2' 9.241 -192.255 FC3H6-F2' 7.572 -189.288 FC4H1'-H6 6.305 7.754 FC4H2'-H1' 5.133 6.300 FC4H3'-H1' 4.763 6.297 FC4H3'-H6 4.766 7.755 FC4H4'-H6 4.474 7.760 FC4H41-H42 8.463 8.834 FC4H5-H41 6.069 8.453 FC4H5-H42 6.068 8.836 FC4H5-H6 6.077 7.755 FC4H6-H1' 7.763 6.299 FC4Q5'-H6 4.084 7.758 FC4H2'-F2' 5.127 -201.858 FC4H3'-F2' 4.791 -201.854 FC4H6-F2' 7.751 -201.856 FC4Q5'-F2' 4.114 -201.855 FC5H1'-FC3H1' 6.297 6.411 FC5H1'-H6 6.297 7.698 FC5H2'-FC3H1' 5.563 6.409 FC5H2'-FC3H2' 5.559 5.717 FC5H2'-H1' 5.558 6.286 FC5H2'-H6 5.558 7.697 FC5H3'-H1' 4.626 6.280 FC5H3'-H2' 4.621 5.552 FC5H3'-H6 4.621 7.697 FC5H4'-FC3H2' 4.509 5.719 FC5H4'-H1' 4.522 6.283 FC5H4'-H2' 4.515 5.553 FC5H4'-H6 4.520 7.698 FC5H41-H42 8.724 9.177 FC5H41-H3 8.715 15.948 FC5H42-H3 9.180 15.949 FC5H5-H41 6.038 8.717 FC5H5-H42 6.043 9.176 FC5H5-H6 6.033 7.699 FC5H6-H1' 7.702 6.286 FC5Q5'-H2' 4.096 5.549 FC5Q5'-H6 4.099 7.693 FC5H2'-F2' 5.565 -192.258 FC5H3'-F2' 4.633 -192.263 FC5H41-FC3F2' 8.729 -189.283 FC5H42-FC3F2' 9.193 -189.282 FC5H6-F2' 7.698 -192.264 FC6H1'-FC2H1' 6.570 6.329 FC6H1'-FC3H1' 6.573 6.409 FC6H1'-H6 6.574 7.684 FC6H2'-FC2H1' 5.147 6.330 FC6H2'-H1' 5.148 6.569 FC6H2'-H6 5.149 7.686 FC6H3'-H1' 4.498 6.568 FC6H3'-H6 4.498 7.686 FC6H4'-H1' 4.280 6.569 FC6H41-H42 8.312 9.201 FC6H42-H3 9.204 15.613 FC6H41-H6 8.303 7.684 FC6H5-H41 5.942 8.301 FC6H5-H42 5.938 9.202 FC6H5-H6 5.950 7.685 FC6H6-H1' 7.691 6.567 FC6H2'-F2' 5.144 -199.098 FC6H3'-F2' 4.506 -199.095 FC6H41-FC2F2' 8.295 -194.544 FC6H42-FC2F2' 9.199 -194.539 FC6H6-F2' 7.681 -199.102 ; 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 24.5 ppm . . . 4.7 . . 34735 1 2 . . H 1 H . folded 24.5 ppm . . . 4.7 . . 34735 1 stop_ save_