######################### # 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 30253 _Spectral_peak_list.ID 1 _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.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment ATOM1 ATOM2 NOTE G1H1'-H8 1 G H1' 1 G H8 G1H1'-C2H6 1 G H1' 2 C H6 G1H2"-H1' 1 G H2" 1 G H1' G1H2"-H8 1 G H2" 1 G H8 G1H2"-C2H5 1 G H2" 2 C H5 G1H2"-C2H6 1 G H2" 2 C H6 G1H2'-H1' 1 G H2' 1 G H1' G1H2'-H8 1 G H2' 1 G H8 G1H2'-C2H5 1 G H2' 2 C H5 G1H2'-C2H6 1 G H2' 2 C H6 G1H4'-H1' 1 G H4' 1 G H1' C2H1'-H6 2 C H1' 2 C H6 C2H1'-A3H8 2 C H1' 3 A H8 C2H2"-H1' 2 C H2" 2 C H1' C2H2"-H6 2 C H2" 2 C H6 C2H2"-A3H8 2 C H2" 3 A H8 C2H2'-H1' 2 C H2' 2 C H1' C2H2'-H5 2 C H2' 2 C H5 C2H2'-H6 2 C H2' 2 C H6 C2H2'-A3H8 2 C H2' 3 A H8 C2H4'-H1' 2 C H4' 2 C H1' C2H6-G1H8 2 C H6 1 G H8 C2H6-A3H8 2 C H6 3 A H8 A3H1'-H2 3 A H1' 3 A H2 A3H1'-H8 3 A H1' 3 A H8 A3H1'-T4H6 3 A H1' 4 T H6 A3H2"-H1' 3 A H2" 3 A H1' A3H2"-H8 3 A H2" 3 A H8 A3H2"-T4H6 3 A H2" 4 T H6 A3H2'-H1' 3 A H2' 3 A H1' A3H2'-H8 3 A H2' 3 A H8 A3H2'-T4H6 3 A H2' 4 T H6 A3H4'-H1' 3 A H4' 3 A H1' T4H1'-A3H2 4 T H1' 3 A H2 T4H1'-H6 4 T H1' 4 T H6 T4H1'-C5H6 4 T H1' 5 C H6 T4H2"-H1' 4 T H2" 4 T H1' T4H2"-H6 4 T H2" 4 T H6 T4H2"-C5H5 4 T H2" 5 C H5 T4H2"-C5H6 4 T H2" 5 C H6 T4H2'-H1' 4 T H2' 4 T H1' T4H2'-H6 4 T H2' 4 T H6 T4H2'-C5H5 4 T H2' 5 C H5 T4H2'-C5H6 4 T H2' 5 C H6 T4H4'-H1' 4 T H4' 4 T H1' T4H5#-A3H1' 4 T H5# 3 A H1' T4H5#-A3H2" 4 T H5# 3 A H2" T4H5#-A3H2' 4 T H5# 3 A H2' T4H5#-A3H8 4 T H5# 3 A H8 T4H5#-H2' 4 T H5# 4 T H2' T4H5#-H6 4 T H5# 4 T H6 T4H5#-C5H1' 4 T H5# 5 C H1' T4H6-A3H8 4 T H6 3 A H8 T4H6-C5H6 4 T H6 5 C H6 C5H1'-H6 5 C H1' 5 C H6 C5H1'-G6H8 5 C H1' 6 G H8 C5H2"-H1' 5 C H2" 5 C H1' C5H2"-H6 5 C H2" 5 C H6 C5H2"-G6H8 5 C H2" 6 G H8 C5H2'-H1' 5 C H2' 5 C H1' C5H2'-H5 5 C H2' 5 C H5 C5H2'-H6 5 C H2' 5 C H6 C5H2'-G6H8 5 C H2' 6 G H8 C5H4'-H1' 5 C H4' 5 C H1' C5H5-H6 5 C H5 5 C H6 C5H6-G6H8 5 C H6 6 G H8 G6H1'-H8 6 G H1' 6 G H8 G6H1'-A7H2 6 G H1' 7 A H2 G6H1'-A7H8 6 G H1' 7 A H8 G6H2"-H1' 6 G H2" 6 G H1' G6H2"-H8 6 G H2" 6 G H8 G6H2"-A7H8 6 G H2" 7 A H8 G6H2'-H1' 6 G H2' 6 G H1' G6H2'-H8 6 G H2' 6 G H8 G6H2'-A7H8 6 G H2' 7 A H8 G6H4'-H1' 6 G H4' 6 G H1' G6H8-A7H8 6 G H8 7 A H8 A7H1'-H2 7 A H1' 7 A H2 A7H1'-H8 7 A H1' 7 A H8 A7H1'-T8H6 7 A H1' 8 T H6 A7H2"-H1' 7 A H2" 7 A H1' A7H2"-H8 7 A H2" 7 A H8 A7H2"-T8H6 7 A H2" 8 T H6 A7H2'-H1' 7 A H2' 7 A H1' A7H2'-H8 7 A H2' 7 A H8 A7H2'-T8H6 7 A H2' 8 T H6 A7H4'-H1' 7 A H4' 7 A H1' T8H1'-A7H2 8 T H1' 7 A H2 T8H1'-H6 8 T H1' 8 T H6 T8H1'-T9H6 8 T H1' 9 T H6 T8H2"-H1' 8 T H2" 8 T H1' T8H2"-H6 8 T H2" 8 T H6 T8H2"-T9H6 8 T H2" 9 T H6 T8H2'-H1' 8 T H2' 8 T H1' T8H2'-H6 8 T H2' 8 T H6 T8H2'-T9H6 8 T H2' 9 T H6 T8H4'-H1' 8 T H4' 8 T H1' T8H5#-A7H1' 8 T H5# 7 A H1' T8H5#-A7H2" 8 T H5# 7 A H2" T8H5#-A7H2' 8 T H5# 7 A H2' T8H5#-A7H8 8 T H5# 7 A H8 T8H5#-H2' 8 T H5# 8 T H2' T8H5#-H6 8 T H5# 8 T H6 T8H6-A7H8 8 T H6 7 A H8 T8H6-T9H6 8 T H6 9 T H6 T9H1'-H6 9 T H1' 9 T H6 T9H1'-G10H8 9 T H1' 10 G H8 T9H2"-H1' 9 T H2" 9 T H1' T9H2"-H6 9 T H2" 9 T H6 T9H2"-G10H8 9 T H2" 10 G H8 T9H2'-H1' 9 T H2' 9 T H1' T9H2'-H6 9 T H2' 9 T H6 T9H2'-G10H8 9 T H2' 10 G H8 T9H4'-H1' 9 T H4' 9 T H1' T9H5#-T8H1' 9 T H5# 8 T H1' T9H5#-T8H2" 9 T H5# 8 T H2" T9H5#-T8H2' 9 T H5# 8 T H2' T9H5#-T8H6 9 T H5# 8 T H6 T9H5#-H2' 9 T H5# 9 T H2' T9H5#-H6 9 T H5# 9 T H6 T9H6-G10H8 9 T H6 10 G H8 G10H1'-H8 10 G H1' 10 G H8 G10H1'-G11H8 10 G H1' 11 G H8 G10H2"-H1' 10 G H2" 10 G H1' G10H2"-H8 10 G H2" 10 G H8 G10H2"-G11H8 10 G H2" 11 G H8 G10H2'-H1' 10 G H2' 10 G H1' G10H2'-H8 10 G H2' 10 G H8 G10H2'-G11H8 10 G H2' 11 G H8 G11H1'-H8 11 G H1' 11 G H8 G11H1'-C12H6 11 G H1' 12 C H6 G11H2"-H1' 11 G H2" 11 G H1' G11H2"-H8 11 G H2" 11 G H8 G11H2"-C12H5 11 G H2" 12 C H5 G11H2"-C12H6 11 G H2" 12 C H6 G11H2'-H1' 11 G H2' 11 G H1' G11H2'-H8 11 G H2' 11 G H8 G11H2'-C12H5 11 G H2' 12 C H5 G11H2'-C12H6 11 G H2' 12 C H6 G11H4'-H1' 11 G H4' 11 G H1' G11H8-G10H8 11 G H8 10 G H8 C12H1'-H6 12 C H1' 12 C H6 C12H2'-H1' 12 C H2' 12 C H1' C12H2'-H5 12 C H2' 12 C H5 C12H2'-H6 12 C H2' 12 C H6 C12H4'-H1' 12 C H4' 12 C H1' C12H5-H6 12 C H5 12 C H6 C12H6-G11H8 12 C H6 11 G H8 G13H1'-H8 13 G H1' 13 G H8 G13H1'-C14H6 13 G H1' 14 C H6 G13H2"-H1' 13 G H2" 13 G H1' G13H2"-H8 13 G H2" 13 G H8 G13H2"-C14H5 13 G H2" 14 C H5 G13H2"-C14H6 13 G H2" 14 C H6 G13H2'-H1' 13 G H2' 13 G H1' G13H2'-H8 13 G H2' 13 G H8 G13H2'-C14H5 13 G H2' 14 C H5 G13H2'-C14H6 13 G H2' 14 C H6 G13H4'-H1' 13 G H4' 13 G H1' C14H1'-H6 14 C H1' 14 C H6 C14H2"-H1' 14 C H2" 14 C H1' C14H2"-H6 14 C H2" 14 C H6 C14H2"-C15H5 14 C H2" 15 C H5 C14H2'-H1' 14 C H2' 14 C H1' C14H2'-H5 14 C H2' 14 C H5 C14H2'-H6 14 C H2' 14 C H6 C14H2'-C15H5 14 C H2' 15 C H5 C14H4'-H1' 14 C H4' 14 C H1' C14H5-H6 14 C H5 14 C H6 C14H6-G13H8 14 C H6 13 G H8 C15H1'-A16H8 15 C H1' 16 A H8 C15H2"-H1' 15 C H2" 15 C H1' C15H2"-H6 15 C H2" 15 C H6 C15H2"-A16H8 15 C H2" 16 A H8 C15H2'-H1' 15 C H2' 15 C H1' C15H2'-H5 15 C H2' 15 C H5 C15H2'-H6 15 C H2' 15 C H6 C15H2'-A16H8 15 C H2' 16 A H8 C15H4'-H1' 15 C H4' 15 C H1' C15H5-H6 15 C H5 15 C H6 C15H6-A16H8 15 C H6 16 A H8 A16H1'-H8 16 A H1' 16 A H8 A16H1'-A17H8 16 A H1' 17 A H8 A16H2-A17H2 16 A H2 17 A H2 A16H2"-H1' 16 A H2" 16 A H1' A16H2"-H8 16 A H2" 16 A H8 A16H2"-A17H8 16 A H2" 17 A H8 A16H2'-H1' 16 A H2' 16 A H1' A16H2'-H8 16 A H2' 16 A H8 A16H2'-A17H8 16 A H2' 17 A H8 A16H4'-H1' 16 A H4' 16 A H1' A17H1'-A16H2 17 A H1' 16 A H2 A17H1'-H2 17 A H1' 17 A H2 A17H1'-H8 17 A H1' 17 A H8 A17H1'-T18H6 17 A H1' 18 T H6 A17H2"-H1' 17 A H2" 17 A H1' A17H2"-H8 17 A H2" 17 A H8 A17H2"-T18H6 17 A H2" 18 T H6 A17H2'-H1' 17 A H2' 17 A H1' A17H2'-H8 17 A H2' 17 A H8 A17H2'-T18H6 17 A H2' 18 T H6 A17H4'-H1' 17 A H4' 17 A H1' A17H8-A16H8 17 A H8 16 A H8 T18H1'-A17H2 18 T H1' 17 A H2 T18H1'-H6 18 T H1' 18 T H6 T18H1'-C19H6 18 T H1' 19 C H6 T18H2"-H1' 18 T H2" 18 T H1' T18H2"-H6 18 T H2" 18 T H6 T18H2"-C19H5 18 T H2" 19 C H5 T18H2"-C19H6 18 T H2" 19 C H6 T18H2'-H1' 18 T H2' 18 T H1' T18H2'-H6 18 T H2' 18 T H6 T18H2'-C19H5 18 T H2' 19 C H5 T18H2'-C19H6 18 T H2' 19 C H6 T18H4'-H1' 18 T H4' 18 T H1' T18H5#-A17H1' 18 T H5# 17 A H1' T18H5#-A17H2" 18 T H5# 17 A H2" T18H5#-A17H2' 18 T H5# 17 A H2' T18H5#-A17H8 18 T H5# 17 A H8 T18H5#-H2' 18 T H5# 18 T H2' T18H5#-H6 18 T H5# 18 T H6 T18H5#-C19H5 18 T H5# 19 C H5 T18H6-A17H8 18 T H6 17 A H8 T18H6-C19H6 18 T H6 19 C H6 C19H1'-H6 19 C H1' 19 C H6 C19H1'-G20H8 19 C H1' 20 G H8 C19H2"-H1' 19 C H2" 19 C H1' C19H2"-H5 19 C H2" 19 C H5 C19H2"-H6 19 C H2" 19 C H6 C19H2"-G20H8 19 C H2" 20 G H8 C19H2'-H1' 19 C H2' 19 C H1' C19H2'-H6 19 C H2' 19 C H6 C19H2'-G20H8 19 C H2' 20 G H8 C19H4'-H1' 19 C H4' 19 C H1' C19H5-H6 19 C H5 19 C H6 C19H6-G20H8 19 C H6 20 G H8 G20H1'-H8 20 G H1' 20 G H8 G20H1'-A21H8 20 G H1' 21 A H8 G20H2"-H1' 20 G H2" 20 G H1' G20H2"-A21H8 20 G H2" 21 A H8 G20H2'-H1' 20 G H2' 20 G H1' G20H2'-A21H8 20 G H2' 21 A H8 G20H4'-H1' 20 G H4' 20 G H1' G20H8-A21H8 20 G H8 21 A H8 A21H1'-H2 21 A H1' 21 A H2 A21H1'-H8 21 A H1' 21 A H8 A21H1'-T22H6 21 A H1' 22 T H6 A21H2"-H1' 21 A H2" 21 A H1' A21H2"-H8 21 A H2" 21 A H8 A21H2"-T22H6 21 A H2" 22 T H6 A21H2'-H1' 21 A H2' 21 A H1' A21H2'-H8 21 A H2' 21 A H8 A21H2'-T22H6 21 A H2' 22 T H6 A21H4'-H1' 21 A H4' 21 A H1' T22H1'-A21H2 22 T H1' 21 A H2 T22H1'-H6 22 T H1' 22 T H6 T22H1'-G23H8 22 T H1' 23 G H8 T22H2"-H1' 22 T H2" 22 T H1' T22H2"-H6 22 T H2" 22 T H6 T22H2"-G23H8 22 T H2" 23 G H8 T22H2'-H1' 22 T H2' 22 T H1' T22H2'-H6 22 T H2' 22 T H6 T22H2'-G23H8 22 T H2' 23 G H8 T22H4'-H1' 22 T H4' 22 T H1' T22H5#-A21H1' 22 T H5# 21 A H1' T22H5#-A21H2" 22 T H5# 21 A H2" T22H5#-A21H2' 22 T H5# 21 A H2' T22H5#-A21H8 22 T H5# 21 A H8 T22H5#-H2' 22 T H5# 22 T H2' T22H5#-H6 22 T H5# 22 T H6 T22H6-A21H8 22 T H6 21 A H8 T22H6-G23H8 22 T H6 23 G H8 G23H1'-H8 23 G H1' 23 G H8 G23H1'-C24H6 23 G H1' 24 C H6 G23H2"-H1' 23 G H2" 23 G H1' G23H2"-H8 23 G H2" 23 G H8 G23H2"-C24H5 23 G H2" 24 C H5 G23H2"-C24H6 23 G H2" 24 C H6 G23H2'-H1' 23 G H2' 23 G H1' G23H2'-C24H5 23 G H2' 24 C H5 G23H4'-H1' 23 G H4' 23 G H1' C24H1'-H6 24 C H1' 24 C H6 C24H2'-H1' 24 C H2' 24 C H1' C24H2'-H5 24 C H2' 24 C H5 C24H4'-H1' 24 C H4' 24 C H1' C24H5-H6 24 C H5 24 C H6 C24H6-G23H8 24 C H6 23 G H8 ; 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 . . 22 ppm . . . 4.76 . . 30253 1 2 . . H 1 H . . 22 ppm . . . 4.76 . . 30253 1 stop_ save_