######################### # 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 30282 _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 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 . _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 w1 w2 Volume ATOM1 ATOM2 NOTE ?-? 6.002 4.476 ?-? 4.476 6.002 G1H1'-H2' 5.697 4.809 1 G H1' 1 G H2' G1H1'-H3' 5.697 4.658 1 G H1' 1 G H3' G1H1'-H4' 5.697 4.382 1 G H1' 1 G H4' G1H1'-H5' 5.697 4.030 1 G H1' 1 G H5' G1H1'-H5'' 5.697 3.915 1 G H1' 1 G H5'' G1H1'-H8 5.697 8.042 1 G H1' 1 G H8 G1H1'-A2H8 5.697 8.184 1 G H1' 2 A H8 G1H2'-H1' 4.809 5.697 1 G H2' 1 G H1' G1H2'-H8 4.809 8.042 1 G H2' 1 G H8 G1H2'-A2H1' 4.809 6.080 1 G H2' 2 A H1' G1H2'-A2H8 4.809 8.184 1 G H2' 2 A H8 G1H3'-H1' 4.658 5.697 1 G H3' 1 G H1' G1H3'-H8 4.658 8.042 1 G H3' 1 G H8 G1H3'-A2H8 4.658 8.184 1 G H3' 2 A H8 G1H4'-H1' 4.382 5.697 1 G H4' 1 G H1' G1H4'-H8 4.382 8.042 1 G H4' 1 G H8 G1H5'-H1' 4.030 5.697 1 G H5' 1 G H1' G1H5'-H8 4.030 8.042 1 G H5' 1 G H8 G1H5''-H1' 3.915 5.697 1 G H5'' 1 G H1' G1H5''-H8 3.915 8.042 1 G H5'' 1 G H8 G1H8-H1' 8.042 5.697 1 G H8 1 G H1' G1H8-H2' 8.042 4.809 1 G H8 1 G H2' G1H8-H3' 8.042 4.658 1 G H8 1 G H3' G1H8-H4' 8.042 4.382 1 G H8 1 G H4' G1H8-H5' 8.042 4.030 1 G H8 1 G H5' G1H8-H5'' 8.042 3.915 1 G H8 1 G H5'' A2H1'-G1H2' 6.080 4.809 2 A H1' 1 G H2' A2H1'-H2 6.080 7.906 2 A H1' 2 A H2 A2H1'-H2' 6.080 4.579 2 A H1' 2 A H2' A2H1'-H8 6.080 8.184 2 A H1' 2 A H8 A2H1'-C3H6 6.080 7.563 2 A H1' 3 C H6 A2H2-H1' 7.906 6.080 2 A H2 2 A H1' A2H2-C3H1' 7.906 5.409 2 A H2 3 C H1' A2H2-C3H5 7.906 5.227 2 A H2 3 C H5 A2H2-U14H1' 7.906 5.531 2 A H2 14 U H1' A2H2-C15H1' 7.906 5.852 2 A H2 15 C H1' A2H2-C15H5 7.906 5.645 2 A H2 15 C H5 A2H2'-H1' 4.579 6.080 2 A H2' 2 A H1' A2H2'-C3H1' 4.579 5.409 2 A H2' 3 C H1' A2H2'-C3H5 4.579 5.227 2 A H2' 3 C H5 A2H2'-C3H6 4.579 7.563 2 A H2' 3 C H6 A2H8-G1H1' 8.184 5.697 2 A H8 1 G H1' A2H8-G1H2' 8.184 4.809 2 A H8 1 G H2' A2H8-G1H3' 8.184 4.658 2 A H8 1 G H3' A2H8-H1' 8.184 6.080 2 A H8 2 A H1' A2H8-C3H5 8.184 5.227 2 A H8 3 C H5 C3H1'-A2H2 5.409 7.906 3 C H1' 2 A H2 C3H1'-A2H2' 5.409 4.579 3 C H1' 2 A H2' C3H1'-H2' 5.409 4.174 3 C H1' 3 C H2' C3H1'-H3' 5.409 4.358 3 C H1' 3 C H3' C3H1'-H6 5.409 7.563 3 C H1' 3 C H6 C3H1'-C4H6 5.409 7.644 3 C H1' 4 C H6 C3H2'-H1' 4.174 5.409 3 C H2' 3 C H1' C3H2'-H5 4.174 5.227 3 C H2' 3 C H5 C3H2'-H6 4.174 7.563 3 C H2' 3 C H6 C3H2'-C4H1' 4.174 5.407 3 C H2' 4 C H1' C3H2'-C4H6 4.174 7.644 3 C H2' 4 C H6 C3H3'-H1' 4.358 5.409 3 C H3' 3 C H1' C3H3'-H5 4.358 5.227 3 C H3' 3 C H5 C3H3'-H6 4.358 7.563 3 C H3' 3 C H6 C3H3'-C4H6 4.358 7.644 3 C H3' 4 C H6 C3H5-A2H2 5.227 7.906 3 C H5 2 A H2 C3H5-A2H2' 5.227 4.579 3 C H5 2 A H2' C3H5-A2H8 5.227 8.184 3 C H5 2 A H8 C3H5-H2' 5.227 4.174 3 C H5 3 C H2' C3H5-H3' 5.227 4.358 3 C H5 3 C H3' C3H5-H6 5.227 7.563 3 C H5 3 C H6 C3H5-C4H6 5.227 7.644 3 C H5 4 C H6 C3H6-A2H1' 7.563 6.080 3 C H6 2 A H1' C3H6-A2H2' 7.563 4.579 3 C H6 2 A H2' C3H6-H1' 7.563 5.409 3 C H6 3 C H1' C3H6-H2' 7.563 4.174 3 C H6 3 C H2' C3H6-H3' 7.563 4.358 3 C H6 3 C H3' C3H6-H5 7.563 5.227 3 C H6 3 C H5 C4H1'-C3H2' 5.407 4.174 4 C H1' 3 C H2' C4H1'-H2' 5.407 4.331 4 C H1' 4 C H2' C4H1'-H3' 5.407 4.549 4 C H1' 4 C H3' C4H1'-H6 5.407 7.644 4 C H1' 4 C H6 C4H1'-A5H8 5.407 8.140 4 C H1' 5 A H8 C4H2'-H1' 4.331 5.407 4 C H2' 4 C H1' C4H2'-H6 4.331 7.644 4 C H2' 4 C H6 C4H2'-A5H1' 4.331 6.010 4 C H2' 5 A H1' C4H2'-A5H8 4.331 8.140 4 C H2' 5 A H8 C4H3'-H1' 4.549 5.407 4 C H3' 4 C H1' C4H3'-H5 4.549 5.407 4 C H3' 4 C H5 C4H3'-H6 4.549 7.644 4 C H3' 4 C H6 C4H3'-A5H8 4.549 8.140 4 C H3' 5 A H8 C4H5-H3' 5.407 4.549 4 C H5 4 C H3' C4H5-H6 5.407 7.644 4 C H5 4 C H6 C4H6-C3H1' 7.644 5.409 4 C H6 3 C H1' C4H6-C3H2' 7.644 4.174 4 C H6 3 C H2' C4H6-C3H3' 7.644 4.358 4 C H6 3 C H3' C4H6-C3H5 7.644 5.227 4 C H6 3 C H5 C4H6-H1' 7.644 5.407 4 C H6 4 C H1' C4H6-H2' 7.644 4.331 4 C H6 4 C H2' C4H6-H3' 7.644 4.549 4 C H6 4 C H3' C4H6-H5 7.644 5.407 4 C H6 4 C H5 A5H1'-C4H2' 6.010 4.331 5 A H1' 4 C H2' A5H1'-H2 6.010 7.753 5 A H1' 5 A H2 A5H1'-H2' 6.010 4.631 5 A H1' 5 A H2' A5H1'-H8 6.010 8.140 5 A H1' 5 A H8 A5H1'-G6H8 6.010 7.053 5 A H1' 6 G H8 A5H2-H1' 7.753 6.010 5 A H2 5 A H1' A5H2-G6H1' 7.753 5.491 5 A H2 6 G H1' A5H2-G12H1' 7.753 5.614 5 A H2 12 G H1' A5H2'-H1' 4.631 6.010 5 A H2' 5 A H1' A5H2'-H8 4.631 8.140 5 A H2' 5 A H8 A5H2'-G6H1' 4.631 5.491 5 A H2' 6 G H1' A5H2'-G6H8 4.631 7.053 5 A H2' 6 G H8 A5H8-C4H1' 8.140 5.407 5 A H8 4 C H1' A5H8-C4H2' 8.140 4.331 5 A H8 4 C H2' A5H8-C4H3' 8.140 4.549 5 A H8 4 C H3' A5H8-H1' 8.140 6.010 5 A H8 5 A H1' A5H8-H2' 8.140 4.631 5 A H8 5 A H2' A5H8-G6H1' 8.140 5.491 5 A H8 6 G H1' G6H1'-A5H2 5.491 7.753 6 G H1' 5 A H2 G6H1'-A5H2' 5.491 4.631 6 G H1' 5 A H2' G6H1'-A5H8 5.491 8.140 6 G H1' 5 A H8 G6H1'-H2' 5.491 4.485 6 G H1' 6 G H2' G6H1'-H3' 5.491 4.227 6 G H1' 6 G H3' G6H1'-H8 5.491 7.053 6 G H1' 6 G H8 G6H1'-C7H6 5.491 7.508 6 G H1' 7 C H6 G6H1'-A11H2 5.491 7.796 6 G H1' 11 A H2 G6H2'-H1' 4.485 5.491 6 G H2' 6 G H1' G6H2'-H8 4.485 7.053 6 G H2' 6 G H8 G6H2'-C7H1' 4.485 5.333 6 G H2' 7 C H1' G6H2'-C7H5 4.485 4.977 6 G H2' 7 C H5 G6H2'-C7H6 4.485 7.508 6 G H2' 7 C H6 G6H3'-H1' 4.227 5.491 6 G H3' 6 G H1' G6H3'-H8 4.227 7.053 6 G H3' 6 G H8 G6H3'-C7H5 4.227 4.977 6 G H3' 7 C H5 G6H3'-C7H6 4.227 7.508 6 G H3' 7 C H6 G6H8-A5H1' 7.053 6.010 6 G H8 5 A H1' G6H8-A5H2' 7.053 4.631 6 G H8 5 A H2' G6H8-H1' 7.053 5.491 6 G H8 6 G H1' G6H8-H2' 7.053 4.485 6 G H8 6 G H2' G6H8-H3' 7.053 4.227 6 G H8 6 G H3' G6H8-C7H1' 7.053 5.333 6 G H8 7 C H1' G6H8-C7H5 7.053 4.977 6 G H8 7 C H5 C7H1'-G6H2' 5.333 4.485 7 C H1' 6 G H2' C7H1'-G6H8 5.333 7.053 7 C H1' 6 G H8 C7H1'-H2' 5.333 4.340 7 C H1' 7 C H2' C7H1'-H3' 5.333 4.511 7 C H1' 7 C H3' C7H1'-H6 5.333 7.508 7 C H1' 7 C H6 C7H1'-A8H8 5.333 8.107 7 C H1' 8 A H8 C7H2'-H1' 4.340 5.333 7 C H2' 7 C H1' C7H2'-H5 4.340 4.977 7 C H2' 7 C H5 C7H2'-H6 4.340 7.508 7 C H2' 7 C H6 C7H2'-A8H8 4.340 8.107 7 C H2' 8 A H8 C7H3'-H1' 4.511 5.333 7 C H3' 7 C H1' C7H3'-H5 4.511 4.977 7 C H3' 7 C H5 C7H3'-H6 4.511 7.508 7 C H3' 7 C H6 C7H3'-A8H8 4.511 8.107 7 C H3' 8 A H8 C7H5-G6H2' 4.977 4.485 7 C H5 6 G H2' C7H5-G6H3' 4.977 4.227 7 C H5 6 G H3' C7H5-G6H8 4.977 7.053 7 C H5 6 G H8 C7H5-H2' 4.977 4.340 7 C H5 7 C H2' C7H5-H3' 4.977 4.511 7 C H5 7 C H3' C7H5-H6 4.977 7.508 7 C H5 7 C H6 C7H5-A8H8 4.977 8.107 7 C H5 8 A H8 C7H6-G6H1' 7.508 5.491 7 C H6 6 G H1' C7H6-G6H2' 7.508 4.485 7 C H6 6 G H2' C7H6-G6H3' 7.508 4.227 7 C H6 6 G H3' C7H6-H1' 7.508 5.333 7 C H6 7 C H1' C7H6-H2' 7.508 4.340 7 C H6 7 C H2' C7H6-H3' 7.508 4.511 7 C H6 7 C H3' C7H6-H5 7.508 4.977 7 C H6 7 C H5 C7H6-A8H1' 7.508 6.002 7 C H6 8 A H1' A8H1'-C7H6 6.002 7.508 8 A H1' 7 C H6 A8H1'-H2 6.002 7.769 8 A H1' 8 A H2 A8H1'-H2' 6.002 4.592 8 A H1' 8 A H2' A8H1'-H8 6.002 8.107 8 A H1' 8 A H8 A8H1'-G9H8 6.002 7.057 8 A H1' 9 G H8 A8H2-H1' 7.769 6.002 8 A H2 8 A H1' A8H2-G9H1' 7.769 5.537 8 A H2 9 G H1' A8H2-C10H1' 7.769 5.336 8 A H2 10 C H1' A8H2'-H1' 4.592 6.002 8 A H2' 8 A H1' A8H2'-H8 4.592 8.107 8 A H2' 8 A H8 A8H2'-G9H8 4.592 7.057 8 A H2' 9 G H8 A8H8-C7H1' 8.107 5.333 8 A H8 7 C H1' A8H8-C7H2' 8.107 4.340 8 A H8 7 C H2' A8H8-C7H3' 8.107 4.511 8 A H8 7 C H3' A8H8-C7H5 8.107 4.977 8 A H8 7 C H5 A8H8-H1' 8.107 6.002 8 A H8 8 A H1' A8H8-H2' 8.107 4.592 8 A H8 8 A H2' G9H1'-A8H2 5.537 7.769 9 G H1' 8 A H2 G9H1'-H2' 5.537 4.486 9 G H1' 9 G H2' G9H1'-H3' 5.537 4.232 9 G H1' 9 G H3' G9H1'-H8 5.537 7.057 9 G H1' 9 G H8 G9H1'-C10H6 5.537 7.514 9 G H1' 10 C H6 G9H2'-H1' 4.486 5.537 9 G H2' 9 G H1' G9H2'-H8 4.486 7.057 9 G H2' 9 G H8 G9H2'-C10H1' 4.486 5.336 9 G H2' 10 C H1' G9H2'-C10H5 4.486 4.983 9 G H2' 10 C H5 G9H2'-C10H6 4.486 7.514 9 G H2' 10 C H6 G9H3'-H1' 4.232 5.537 9 G H3' 9 G H1' G9H3'-H8 4.232 7.057 9 G H3' 9 G H8 G9H3'-C10H5 4.232 4.983 9 G H3' 10 C H5 G9H3'-C10H6 4.232 7.514 9 G H3' 10 C H6 G9H8-A8H1' 7.057 6.002 9 G H8 8 A H1' G9H8-A8H2' 7.057 4.592 9 G H8 8 A H2' G9H8-H1' 7.057 5.537 9 G H8 9 G H1' G9H8-H2' 7.057 4.486 9 G H8 9 G H2' G9H8-H3' 7.057 4.232 9 G H8 9 G H3' G9H8-C10H1' 7.057 5.336 9 G H8 10 C H1' G9H8-C10H5 7.057 4.983 9 G H8 10 C H5 C10H1'-A8H2 5.336 7.769 10 C H1' 8 A H2 C10H1'-G9H2' 5.336 4.486 10 C H1' 9 G H2' C10H1'-G9H8 5.336 7.057 10 C H1' 9 G H8 C10H1'-H2' 5.336 4.335 10 C H1' 10 C H2' C10H1'-H3' 5.336 4.511 10 C H1' 10 C H3' C10H1'-H6 5.336 7.514 10 C H1' 10 C H6 C10H1'-A11H8 5.336 8.124 10 C H1' 11 A H8 C10H2'-H1' 4.335 5.336 10 C H2' 10 C H1' C10H2'-H5 4.335 4.983 10 C H2' 10 C H5 C10H2'-H6 4.335 7.514 10 C H2' 10 C H6 C10H2'-A11H8 4.335 8.124 10 C H2' 11 A H8 C10H3'-H1' 4.511 5.336 10 C H3' 10 C H1' C10H3'-H5 4.511 4.983 10 C H3' 10 C H5 C10H3'-H6 4.511 7.514 10 C H3' 10 C H6 C10H3'-A11H8 4.511 8.124 10 C H3' 11 A H8 C10H5-G9H2' 4.983 4.486 10 C H5 9 G H2' C10H5-G9H3' 4.983 4.232 10 C H5 9 G H3' C10H5-G9H8 4.983 7.057 10 C H5 9 G H8 C10H5-H2' 4.983 4.335 10 C H5 10 C H2' C10H5-H3' 4.983 4.511 10 C H5 10 C H3' C10H5-H6 4.983 7.514 10 C H5 10 C H6 C10H5-A11H8 4.983 8.124 10 C H5 11 A H8 C10H6-G9H1' 7.514 5.537 10 C H6 9 G H1' C10H6-G9H2' 7.514 4.486 10 C H6 9 G H2' C10H6-G9H3' 7.514 4.232 10 C H6 9 G H3' C10H6-H1' 7.514 5.336 10 C H6 10 C H1' C10H6-H2' 7.514 4.335 10 C H6 10 C H2' C10H6-H3' 7.514 4.511 10 C H6 10 C H3' C10H6-H5 7.514 4.983 10 C H6 10 C H5 C10H6-A11H1' 7.514 6.003 10 C H6 11 A H1' A11H1'-C10H6 6.003 7.514 11 A H1' 10 C H6 A11H1'-H2 6.003 7.796 11 A H1' 11 A H2 A11H1'-H2' 6.003 4.335 11 A H1' 11 A H2' A11H1'-H3' 6.003 4.567 11 A H1' 11 A H3' A11H1'-H8 6.003 8.124 11 A H1' 11 A H8 A11H1'-G12H8 6.003 7.135 11 A H1' 12 G H8 A11H2-G6H1' 7.796 5.491 11 A H2 6 G H1' A11H2-H1' 7.796 6.003 11 A H2 11 A H1' A11H2-G12H1' 7.796 5.614 11 A H2 12 G H1' A11H2'-H1' 4.335 6.003 11 A H2' 11 A H1' A11H2'-H8 4.335 8.124 11 A H2' 11 A H8 A11H2'-G12H1' 4.335 5.614 11 A H2' 12 G H1' A11H2'-G12H8 4.335 7.135 11 A H2' 12 G H8 A11H3'-H1' 4.567 6.003 11 A H3' 11 A H1' A11H3'-H8 4.567 8.124 11 A H3' 11 A H8 A11H3'-G12H8 4.567 7.135 11 A H3' 12 G H8 A11H8-C10H1' 8.124 5.336 11 A H8 10 C H1' A11H8-C10H2' 8.124 4.335 11 A H8 10 C H2' A11H8-C10H3' 8.124 4.511 11 A H8 10 C H3' A11H8-C10H5 8.124 4.983 11 A H8 10 C H5 A11H8-H1' 8.124 6.003 11 A H8 11 A H1' A11H8-H2' 8.124 4.335 11 A H8 11 A H2' A11H8-H3' 8.124 4.567 11 A H8 11 A H3' G12H1'-A5H2 5.614 7.753 12 G H1' 5 A H2 G12H1'-A11H2 5.614 7.796 12 G H1' 11 A H2 G12H1'-A11H2' 5.614 4.335 12 G H1' 11 A H2' G12H1'-H2' 5.614 4.607 12 G H1' 12 G H2' G12H1'-H3' 5.614 4.468 12 G H1' 12 G H3' G12H1'-H8 5.614 7.135 12 G H1' 12 G H8 G12H1'-G13H8 5.614 7.263 12 G H1' 13 G H8 G12H2'-H1' 4.607 5.614 12 G H2' 12 G H1' G12H2'-H8 4.607 7.135 12 G H2' 12 G H8 G12H2'-G13H1' 4.607 5.696 12 G H2' 13 G H1' G12H2'-G13H8 4.607 7.263 12 G H2' 13 G H8 G12H3'-H1' 4.468 5.614 12 G H3' 12 G H1' G12H3'-H8 4.468 7.135 12 G H3' 12 G H8 G12H3'-G13H8 4.468 7.263 12 G H3' 13 G H8 G12H8-A11H1' 7.135 6.003 12 G H8 11 A H1' G12H8-A11H2' 7.135 4.335 12 G H8 11 A H2' G12H8-A11H3' 7.135 4.567 12 G H8 11 A H3' G12H8-H1' 7.135 5.614 12 G H8 12 G H1' G12H8-H2' 7.135 4.607 12 G H8 12 G H2' G12H8-H3' 7.135 4.468 12 G H8 12 G H3' G13H1'-G12H2' 5.696 4.607 13 G H1' 12 G H2' G13H1'-H2' 5.696 4.399 13 G H1' 13 G H2' G13H1'-H8 5.696 7.263 13 G H1' 13 G H8 G13H1'-U14H6 5.696 7.703 13 G H1' 14 U H6 G13H2'-H1' 4.399 5.696 13 G H2' 13 G H1' G13H2'-H8 4.399 7.263 13 G H2' 13 G H8 G13H2'-U14H1' 4.399 5.531 13 G H2' 14 U H1' G13H2'-U14H5 4.399 5.044 13 G H2' 14 U H5 G13H2'-U14H6 4.399 7.703 13 G H2' 14 U H6 G13H8-G12H1' 7.263 5.614 13 G H8 12 G H1' G13H8-G12H2' 7.263 4.607 13 G H8 12 G H2' G13H8-G12H3' 7.263 4.468 13 G H8 12 G H3' G13H8-H1' 7.263 5.696 13 G H8 13 G H1' G13H8-H2' 7.263 4.399 13 G H8 13 G H2' G13H8-U14H5 7.263 5.044 13 G H8 14 U H5 U14H1'-A2H2 5.531 7.906 14 U H1' 2 A H2 U14H1'-G13H2' 5.531 4.399 14 U H1' 13 G H2' U14H1'-H2' 5.531 4.271 14 U H1' 14 U H2' U14H1'-H3' 5.531 4.448 14 U H1' 14 U H3' U14H1'-H6 5.531 7.703 14 U H1' 14 U H6 U14H1'-C15H6 5.531 7.728 14 U H1' 15 C H6 U14H2'-H1' 4.271 5.531 14 U H2' 14 U H1' U14H2'-H5 4.271 5.044 14 U H2' 14 U H5 U14H2'-H6 4.271 7.703 14 U H2' 14 U H6 U14H2'-C15H1' 4.271 5.852 14 U H2' 15 C H1' U14H2'-C15H5 4.271 5.646 14 U H2' 15 C H5 U14H2'-C15H6 4.271 7.728 14 U H2' 15 C H6 U14H3'-H1' 4.448 5.531 14 U H3' 14 U H1' U14H3'-H5 4.448 5.044 14 U H3' 14 U H5 U14H3'-H6 4.448 7.703 14 U H3' 14 U H6 U14H3'-C15H5 4.448 5.646 14 U H3' 15 C H5 U14H3'-C15H6 4.448 7.728 14 U H3' 15 C H6 U14H5-G13H2' 5.044 4.399 14 U H5 13 G H2' U14H5-G13H8 5.044 7.263 14 U H5 13 G H8 U14H5-H2' 5.044 4.271 14 U H5 14 U H2' U14H5-H3' 5.044 4.448 14 U H5 14 U H3' U14H5-H6 5.044 7.703 14 U H5 14 U H6 U14H6-G13H1' 7.703 5.696 14 U H6 13 G H1' U14H6-G13H2' 7.703 4.399 14 U H6 13 G H2' U14H6-H1' 7.703 5.531 14 U H6 14 U H1' U14H6-H2' 7.703 4.271 14 U H6 14 U H2' U14H6-H3' 7.703 4.448 14 U H6 14 U H3' U14H6-H5 7.703 5.044 14 U H6 14 U H5 C15H1'-A2H2 5.852 7.906 15 C H1' 2 A H2 C15H1'-U14H2' 5.852 4.271 15 C H1' 14 U H2' C15H1'-H2' 5.852 3.974 15 C H1' 15 C H2' C15H1'-H3' 5.852 4.169 15 C H1' 15 C H3' C15H1'-H6 5.852 7.728 15 C H1' 15 C H6 C15H2'-H1' 3.974 5.852 15 C H2' 15 C H1' C15H2'-H5 3.974 5.646 15 C H2' 15 C H5 C15H2'-H6 3.974 7.728 15 C H2' 15 C H6 C15H3'-H1' 4.169 5.852 15 C H3' 15 C H1' C15H3'-H5 4.169 5.646 15 C H3' 15 C H5 C15H3'-H6 4.169 7.728 15 C H3' 15 C H6 C15H5-A2H2 5.645 7.906 15 C H5 2 A H2 C15H5-U14H2' 5.646 4.271 15 C H5 14 U H2' C15H5-U14H3' 5.646 4.448 15 C H5 14 U H3' C15H5-H2' 5.646 3.974 15 C H5 15 C H2' C15H5-H3' 5.646 4.169 15 C H5 15 C H3' C15H5-H6 5.646 7.728 15 C H5 15 C H6 C15H6-U14H1' 7.728 5.531 15 C H6 14 U H1' C15H6-U14H2' 7.728 4.271 15 C H6 14 U H2' C15H6-U14H3' 7.728 4.448 15 C H6 14 U H3' C15H6-H1' 7.728 5.852 15 C H6 15 C H1' C15H6-H2' 7.728 3.974 15 C H6 15 C H2' C15H6-H3' 7.728 4.169 15 C H6 15 C H3' C15H6-H5 7.728 5.646 15 C H6 15 C H5 ; 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 . . 10.0021 ppm . . . 4.7 . . 30282 1 2 . . H 1 H . . 10.0000 ppm . . . 4.7 . . 30282 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 30282 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _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 . _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 w1 w2 Volume ATOM1 ATOM2 NOTE ?-? 6.019 8.131 ?-? 7.528 5.341 A2H2-U14H3 7.915 14.586 2 A H2 14 U H3 C3H41-H42 8.348 6.987 3 C H41 3 C H42 C3H41-G13H1 8.348 13.384 8.82e+008 bx 3 C H41 13 G H1 C3H42-H41 6.987 8.348 3 C H42 3 C H41 C3H42-G13H1 6.987 13.384 3 C H42 13 G H1 C3H5-H41 5.243 8.348 3 C H5 3 C H41 C3H5-H6 5.243 7.591 3 C H5 3 C H6 C4H1'-G13H1 5.415 13.384 2.28e+008 bx 4 C H1' 13 G H1 C4H41-H42 8.348 6.925 4 C H41 4 C H42 C4H41-G12H1 8.348 12.072 6.40e+008 bx 4 C H41 12 G H1 ref 2.70 C4H42-H41 6.925 8.348 4 C H42 4 C H41 C4H42-G12H1 6.926 12.072 4 C H42 12 G H1 C4H5-H41 5.427 8.348 4 C H5 4 C H41 C4H5-H42 5.427 6.926 4 C H5 4 C H42 C4H5-H6 5.427 7.666 4 C H5 4 C H6 A5H1'-G12H1 6.018 12.072 8.99e+008 bx 5 A H1' 12 G H1 C7H41-H42 8.236 6.760 7 C H41 7 C H42 C7H41-G9H1 8.236 12.429 8.63e+008 ma 7 C H41 9 G H1 C7H42-H41 6.760 8.236 7 C H42 7 C H41 C7H42-G9H1 6.760 12.429 7 C H42 9 G H1 C7?H1'-G6H1 5.341 12.429 1.69e+008 ma 7 C H1' 6 G H1 C7?H1'-H6 5.341 7.526 7 C H1' 7 C H6 C7?H5-C7H41 4.993 8.236 7 C H5 7 C H41 C7?H5-C7H42 4.993 6.760 7 C H5 7 C H42 C7?H5-H6 4.992 7.526 7 C H5 7 C H6 A8?H1'-G9H1 6.018 12.429 9.06e+008 ma 8 A H1' 9 G H1 C10H41-G6H1 8.236 12.429 8.63e+008 ma 10 C H41 6 G H1 C10H41-H42 8.236 6.760 10 C H41 10 C H42 C10H42-G6H1 6.760 12.429 10 C H42 6 G H1 C10H42-H41 6.760 8.236 10 C H42 10 C H41 C10?H1'-G9H1 5.341 12.429 1.69e+008 ma 10 C H1' 9 G H1 C10?H1'-H6 5.341 7.526 10 C H1' 10 C H6 C10?H5-C10H41 4.993 8.236 10 C H5 10 C H41 C10?H5-C10H42 4.993 6.760 10 C H5 10 C H42 C10?H5-H6 4.992 7.526 1.26e+009 bx 10 C H5 10 C H6 A11?H1'-G6H1 6.018 12.429 9.06e+008 ma 11 A H1' 6 G H1 G12H1-G13H1 12.072 13.384 6.46e+007 bx 12 G H1 13 G H1 G13H1-G12H1 13.384 12.072 13 G H1 12 G H1 G13H1-U14H3 13.384 14.586 1.61e+008 bx 13 G H1 14 U H3 G13H1'-G12H1 5.714 12.072 2.30e+008 bx 13 G H1' 12 G H1 G13H1'-H8 5.714 7.270 13 G H1' 13 G H8 G13H8-H1' 7.270 5.714 13 G H8 13 G H1' U14H1'-G13H1 5.540 13.384 7.66e+007 bx 14 U H1' 13 G H1 U14H1'-C15H6 5.540 7.743 14 U H1' 15 C H6 U14H3-A2H2 14.586 7.915 1.31e+009 bx 14 U H3 2 A H2 ref 2.85 U14H3-G13H1 14.586 13.384 14 U H3 13 G H1 U14H5-H6 5.048 7.721 14 U H5 14 U H6 C15H1'-A2H2 5.852 7.915 15 C H1' 2 A H2 C15H41-G1H1 8.470 13.384 8.51e+008 bx 15 C H41 1 G H1 C15H41-H42 8.470 7.104 15 C H41 15 C H42 C15H42-H41 7.104 8.470 15 C H42 15 C H41 C15H5-H41 5.654 8.470 15 C H5 15 C H41 C15H5-H42 5.654 7.104 15 C H5 15 C H42 C15H5-H6 5.654 7.743 15 C H5 15 C H6 ; 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 . . 22.9703 ppm . . . 4.69 . . 30282 2 2 . . H 1 H . . 23.0000 ppm . . . 4.69 . . 30282 2 stop_ save_