######################### # 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 36174 _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 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 C1H1'-H6 5.783 7.651 C1H1'-G2H8 5.783 7.958 C1H2"-H6 2.425 7.651 C1H2'-H1' 1.978 5.783 C1H2'-H4' 1.978 4.075 C1H2'-H5 1.978 5.932 C1H2'-H6 1.978 7.651 C1H2''-H1' 2.425 5.783 C1H2''-H4' 2.425 4.075 C1H3'-H6 4.714 7.651 C1H3'-G2H8 4.714 7.958 C1H4'-H1' 4.075 5.783 C1H4'-H6 4.075 7.651 C1H5-H6 5.932 7.651 C1H5'-H2' 3.740 1.978 C1H5'-H6 3.740 7.651 G2H1'-H8 5.891 7.958 G2H1'-C3H6 5.891 7.258 G2H2'-H1' 2.657 5.891 G2H2'-H4' 2.657 4.351 G2H2'-C3H6 2.657 7.258 G2H2''-H1' 2.682 5.891 G2H2''-H4' 2.682 4.351 G2H2''-C3H6 2.682 7.258 G2H3'-H8 4.971 7.958 G2H3'-C3H6 4.971 7.258 G2H4'-H8 4.351 7.958 G2H5'-H8 4.135 7.958 G2H5''-H8 4.034 7.958 G2NH2-NH 6.638 13.084 C3H1'-H6 5.629 7.258 C3H1'-G4H8 5.629 7.823 C3H2"-H6 2.238 7.258 C3H2"-G4H8 2.238 7.823 C3H2'-H1' 1.816 5.629 C3H2'-H4' 1.816 4.203 C3H2'-H5 1.816 5.380 C3H2'-H6 1.816 7.258 C3H2'-G4H8 1.816 7.823 C3H2''-H4' 2.238 4.211 C3H3'-H6 4.794 7.258 C3H3'-G4H8 4.794 7.823 C3H4'-H1' 4.223 5.629 C3H4'-H6 4.223 7.258 C3H5-H6 5.380 7.258 C3H5-NH2 5.380 8.424 C3H5-G12NH 5.380 12.925 C3H5'-H6 4.150 7.258 C3H5''-H6 4.097 7.258 C3H6-G2H8 7.258 7.949 C3H6-NH2 7.258 8.424 C3H6-G4H8 7.258 7.823 G4H1'-H8 5.334 7.823 G4H1'-A5H8 5.334 8.070 G4H2"-H8 2.636 7.823 G4H2'-H1' 2.572 5.334 G4H2'-H4' 2.572 4.304 G4H2'-H8 2.572 7.823 G4H2''-H1' 2.636 5.334 G4H2''-H4' 2.636 4.304 G4H3'-H8 4.967 7.823 G4H3'-A5H8 4.967 8.070 G4H4'-H1' 4.304 5.334 G4H4'-H8 4.304 7.823 G4H5'-H8 4.154 7.823 G4H5''-H8 4.051 7.823 G4NH-A5H2 12.722 7.162 G4NH-T10NH 12.722 13.764 G4NH2-C11H6 6.875 7.475 A5H1'-H2 5.890 7.162 A5H1'-H8 5.890 8.070 A5H2-T10NH 7.162 13.764 A5H2'-H1' 2.605 5.890 A5H2'-H4' 2.605 4.410 A5H2''-H1' 2.896 5.890 A5H2''-H4' 2.896 4.420 A5H3'-H8 5.031 8.070 A5H4'-H1' 4.424 5.890 A5H4'-H8 4.424 8.070 A5H5'-H8 4.225 8.070 A6H1'-H8 5.881 8.047 A6H2-A7H2 7.026 7.581 A6H2-T8NH 7.026 13.720 A6H2-T9NH 7.026 13.972 A6H2"-H8 2.883 8.047 A6H2'-H4' 2.612 4.455 A6H2'-H8 2.612 8.047 A6H2''-H1' 2.918 5.881 A6H2''-H4' 2.918 4.455 A6H3'-H8 5.042 8.047 A6H4'-H1' 4.455 5.881 A6H4'-H8 4.455 8.047 A6H5'-H8 4.244 8.047 A6NH2-T9NH 6.047 13.965 A7H1'-A6H2 6.124 7.026 A7H1'-H2 6.124 7.581 A7H1'-H8 6.124 8.064 A7H1'-T8H6 6.124 7.101 A7H2-T8NH 7.581 13.713 A7H2-T9NH 7.581 13.972 A7H2"-H8 2.943 8.064 A7H2"-T8H6 2.943 7.101 A7H2'-H1' 2.635 6.124 A7H2'-H4' 2.635 4.454 A7H2'-H8 2.635 8.064 A7H2'-T8H6 2.635 7.101 A7H2''-H1' 2.943 6.124 A7H2''-H4' 2.943 4.454 A7H3'-H8 5.016 8.064 A7H3'-T8H6 5.016 7.101 A7H4'-H1' 4.454 6.124 A7H4'-H8 4.454 8.064 A7H5'-H8 4.251 8.064 A7H8-T8H6 8.064 7.101 T8H1'-H6 5.935 7.101 T8H1'-T9H6 5.935 7.433 T8H2"-H6 2.561 7.101 T8H2'-H1' 2.030 5.935 T8H2'-H4' 2.030 5.351 T8H2'-H6 2.030 7.101 T8H2''-H1' 2.561 5.935 T8H2''-H4' 2.561 4.340 T8H3'-H6 4.860 7.101 T8H3'-T9H6 4.860 7.437 T8H4'-H1' 4.351 5.935 T8H4'-H6 4.351 7.101 T8H5'-H6 4.288 7.101 T8H5''-H6 4.204 7.101 T8Me-A7H1' 1.237 6.124 T8Me-A7H8 1.237 8.064 T8Me-H6 1.237 7.101 T8Me-NH 1.237 13.714 T8NH-T9NH 13.714 13.965 T9H1'-H6 6.142 7.437 T9H1'-T10H6 6.142 7.382 T9H2"-H6 2.665 7.437 T9H2'-H1' 2.197 6.142 T9H2'-H4' 2.197 4.326 T9H2'-H6 2.197 7.437 T9H2''-H1' 2.665 6.142 T9H2''-H4' 2.665 4.326 T9H3'-H6 4.923 7.437 T9H4'-H1' 4.326 6.142 T9H4'-H6 4.326 7.437 T9H5'-H6 4.253 7.437 T9H5''-H6 4.197 7.437 T9Me-A6H1' 1.559 5.881 T9Me-T8H6 1.521 7.101 T9Me-H6 1.521 7.437 T9Me-NH 1.521 13.971 T9NH-T10NH 13.965 13.764 T10H1'-H6 6.137 7.382 T10H1'-C11H6 6.137 7.475 T10H2"-H6 2.642 7.382 T10H2"-C11H6 2.695 7.475 T10H2'-H1' 2.135 6.137 T10H2'-H4' 2.135 4.286 T10H2''-H1' 2.595 6.137 T10H2''-H4' 2.595 4.286 T10H3'-H6 4.933 7.382 T10H4'-H1' 4.286 6.137 T10H4'-H6 4.286 7.382 T10H5'-H6 4.233 7.382 T10H5''-H6 4.182 7.382 T10Me-A5H1' 1.616 5.890 T10Me-H6 1.616 7.382 T10Me-NH 1.616 13.764 T10Me-C11H5 1.637 5.643 C11H1'-H6 5.597 7.475 C11H1'-G12H8 5.597 7.924 C11H2'-C11H6 2.056 7.475 C11H2'-H1' 2.056 5.597 C11H2'-H4' 2.056 4.212 C11H2'-H5 2.056 5.643 C11H2'-G12H8 2.056 7.924 C11H2''-H5 2.418 5.643 C11H2''-H6 2.418 7.475 C11H3'-H6 4.884 7.475 C11H3'-G12H8 4.884 7.932 C11H4'-H1' 4.212 5.597 C11H4'-H6 4.212 7.475 C11H5-G4NH 5.643 12.722 C11H5-H6 5.643 7.475 C11H5-NH2 5.643 8.472 C11H5'-H6 4.210 7.475 C11H5''-H6 4.138 7.475 C11H6-G12H8 7.475 7.924 G12H1'-H8 5.848 7.924 G12H1'-C13H6 5.848 7.344 G12H2"-H8 2.670 7.924 G12H2'-H8 2.385 7.924 G12H3'-H8 4.990 7.924 G12H3'-C13H6 4.990 7.344 G12H4'-H1' 4.365 5.848 G12H4'-H8 4.365 7.924 G12H5'-H8 4.185 7.924 G12H5''-G10H8 4.107 7.931 G12NH-G4NH 12.925 12.722 C13H1'-H6 5.773 7.344 C13H1'-G14H8 5.773 7.966 C13H2'-H1' 1.929 5.773 C13H2'-H4' 1.906 4.269 C13H2'-H5 1.906 5.453 C13H2'-H6 1.906 7.344 C13H2''-H4' 2.343 4.292 C13H2''-H5 2.343 5.450 C13H3'-H6 4.832 7.344 C13H3'-G14H8 4.832 7.966 C13H4'-H1' 4.292 5.773 C13H4'-H6 4.292 7.344 C13H5-G2NH 5.475 13.084 C13H5-H6 5.471 7.344 C13H5-NH2 5.450 8.478 C13H5'-H6 4.221 7.344 C13H5''-H6 4.131 7.344 C13H6-G12H8 7.344 7.966 C13H6-G14H8 7.344 7.966 G14H1'-H8 6.178 7.966 G14H2'-H1' 2.367 6.178 G14H2'-H4' 2.367 4.321 G14H2''-H1' 2.698 6.178 G14H2''-H4' 2.698 4.318 G14H3'-H8 4.694 7.966 G14H4'-H1' 4.321 6.178 G14H4'-H8 4.287 7.966 G14H5'-H8 4.125 7.966 ; 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 . . 20 ppm . . . 4.76 . . 36174 1 2 . . H 1 H . . 20 ppm . . . 4.76 . . 36174 1 stop_ save_