############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.0s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.12467 0.11064 . . . . . . . . . . 18616 1 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.16818 0.05824 . . . . . . . . . . 18616 1 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.17063 0.03980 . . . . . . . . . . 18616 1 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.16351 0.03867 . . . . . . . . . . 18616 1 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.15718 0.02456 . . . . . . . . . . 18616 1 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.23950 0.01632 . . . . . . . . . . 18616 1 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.16018 0.01989 . . . . . . . . . . 18616 1 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.17160 0.14611 . . . . . . . . . . 18616 1 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.21208 0.03689 . . . . . . . . . . 18616 1 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13037 0.01926 . . . . . . . . . . 18616 1 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.14615 0.03487 . . . . . . . . . . 18616 1 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.16021 0.02381 . . . . . . . . . . 18616 1 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.17322 0.02371 . . . . . . . . . . 18616 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 5.0s proton saturation period 1.5s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.11533 0.05685 . . . . . . . . . . 18616 2 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.15588 0.02118 . . . . . . . . . . 18616 2 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.15855 0.00993 . . . . . . . . . . 18616 2 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.13787 0.00891 . . . . . . . . . . 18616 2 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.12992 0.00787 . . . . . . . . . . 18616 2 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.22633 0.00577 . . . . . . . . . . 18616 2 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.15226 0.00657 . . . . . . . . . . 18616 2 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.14694 0.07919 . . . . . . . . . . 18616 2 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.16511 0.00870 . . . . . . . . . . 18616 2 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13258 0.00754 . . . . . . . . . . 18616 2 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.15688 0.00944 . . . . . . . . . . 18616 2 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.14350 0.00817 . . . . . . . . . . 18616 2 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.14281 0.00836 . . . . . . . . . . 18616 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.5s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.14724 0.04114 . . . . . . . . . . 18616 3 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.15858 0.01490 . . . . . . . . . . 18616 3 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.15073 0.00697 . . . . . . . . . . 18616 3 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.13093 0.00625 . . . . . . . . . . 18616 3 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.13640 0.00562 . . . . . . . . . . 18616 3 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.22371 0.00406 . . . . . . . . . . 18616 3 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.14590 0.00461 . . . . . . . . . . 18616 3 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.13964 0.06008 . . . . . . . . . . 18616 3 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.16577 0.00617 . . . . . . . . . . 18616 3 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.13568 0.00533 . . . . . . . . . . 18616 3 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.15243 0.00663 . . . . . . . . . . 18616 3 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.13687 0.00573 . . . . . . . . . . 18616 3 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.14169 0.00587 . . . . . . . . . . 18616 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_4 _Heteronucl_NOE_list.Entry_ID 18616 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'not applicable' _Heteronucl_NOE_list.Details ; interscan delay: 3.0s proton saturation period: 3.0s ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 13C,1H correlation' . . . 18616 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 G C8 C 13 . 1 1 1 1 G H8 H 1 1.10521 0.13670 . . . . . . . . . . 18616 4 2 . 1 1 2 2 G C8 C 13 . 1 1 2 2 G H8 H 1 1.13248 0.04723 . . . . . . . . . . 18616 4 3 . 1 1 4 4 A C8 C 13 . 1 1 4 4 A H8 H 1 1.13402 0.02875 . . . . . . . . . . 18616 4 4 . 1 1 4 4 A C2 C 13 . 1 1 4 4 A H2 H 1 1.10851 0.03011 . . . . . . . . . . 18616 4 5 . 1 1 5 5 C C6 C 13 . 1 1 5 5 C H6 H 1 1.10733 0.01561 . . . . . . . . . . 18616 4 6 . 1 1 7 7 U C6 C 13 . 1 1 7 7 U H6 H 1 1.21410 0.01084 . . . . . . . . . . 18616 4 7 . 1 1 8 8 C C6 C 13 . 1 1 8 8 C H6 H 1 1.12866 0.01335 . . . . . . . . . . 18616 4 8 . 1 1 9 9 G C8 C 13 . 1 1 9 9 G H8 H 1 1.13827 0.11132 . . . . . . . . . . 18616 4 9 . 1 1 10 10 G C8 C 13 . 1 1 10 10 G H8 H 1 1.14404 0.02454 . . . . . . . . . . 18616 4 10 . 1 1 11 11 U C6 C 13 . 1 1 11 11 U H6 H 1 1.10875 0.01409 . . . . . . . . . . 18616 4 11 . 1 1 12 12 G C8 C 13 . 1 1 12 12 G H8 H 1 1.13112 0.02875 . . . . . . . . . . 18616 4 12 . 1 1 13 13 C C6 C 13 . 1 1 13 13 C H6 H 1 1.10864 0.01626 . . . . . . . . . . 18616 4 13 . 1 1 14 14 C C6 C 13 . 1 1 14 14 C H6 H 1 1.12010 0.01598 . . . . . . . . . . 18616 4 stop_ save_