############################## # 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 26507 _Heteronucl_NOE_list.ID 1 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _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 1 '1H-15N HSQC 1' . . . 26507 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 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.79 0.04 . . . . . . . . . . 26507 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.83 0.05 . . . . . . . . . . 26507 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.73 0.03 . . . . . . . . . . 26507 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.73 0.04 . . . . . . . . . . 26507 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.71 0.03 . . . . . . . . . . 26507 1 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.77 0.04 . . . . . . . . . . 26507 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.68 0.04 . . . . . . . . . . 26507 1 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.71 0.04 . . . . . . . . . . 26507 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.70 0.03 . . . . . . . . . . 26507 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.71 0.04 . . . . . . . . . . 26507 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.70 0.04 . . . . . . . . . . 26507 1 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.77 0.05 . . . . . . . . . . 26507 1 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.70 0.03 . . . . . . . . . . 26507 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.72 0.03 . . . . . . . . . . 26507 1 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.77 0.04 . . . . . . . . . . 26507 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.78 0.04 . . . . . . . . . . 26507 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.72 0.03 . . . . . . . . . . 26507 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.74 0.04 . . . . . . . . . . 26507 1 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.73 0.04 . . . . . . . . . . 26507 1 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.74 0.04 . . . . . . . . . . 26507 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.64 0.03 . . . . . . . . . . 26507 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 26507 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _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 '1H-15N HSQC 3' . . . 26507 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 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.79 0.04 . . . . . . . . . . 26507 2 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.75 0.03 . . . . . . . . . . 26507 2 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.83 0.03 . . . . . . . . . . 26507 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.80 0.03 . . . . . . . . . . 26507 2 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.75 0.03 . . . . . . . . . . 26507 2 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.77 0.03 . . . . . . . . . . 26507 2 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.71 0.03 . . . . . . . . . . 26507 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.67 0.03 . . . . . . . . . . 26507 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.73 0.03 . . . . . . . . . . 26507 2 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.78 0.03 . . . . . . . . . . 26507 2 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.81 0.03 . . . . . . . . . . 26507 2 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.78 0.03 . . . . . . . . . . 26507 2 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.77 0.03 . . . . . . . . . . 26507 2 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.77 0.03 . . . . . . . . . . 26507 2 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.77 0.03 . . . . . . . . . . 26507 2 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.79 0.03 . . . . . . . . . . 26507 2 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.75 0.03 . . . . . . . . . . 26507 2 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.63 0.02 . . . . . . . . . . 26507 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 26507 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _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 5 '1H-15N HSQC 5' . . . 26507 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 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.80 0.05 . . . . . . . . . . 26507 3 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.77 0.05 . . . . . . . . . . 26507 3 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.83 0.04 . . . . . . . . . . 26507 3 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 3 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.77 0.04 . . . . . . . . . . 26507 3 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.76 0.03 . . . . . . . . . . 26507 3 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.81 0.03 . . . . . . . . . . 26507 3 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.74 0.03 . . . . . . . . . . 26507 3 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.83 0.08 . . . . . . . . . . 26507 3 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.76 0.05 . . . . . . . . . . 26507 3 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.79 0.05 . . . . . . . . . . 26507 3 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.76 0.03 . . . . . . . . . . 26507 3 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.83 0.03 . . . . . . . . . . 26507 3 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.83 0.03 . . . . . . . . . . 26507 3 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.81 0.03 . . . . . . . . . . 26507 3 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.83 0.03 . . . . . . . . . . 26507 3 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.80 0.03 . . . . . . . . . . 26507 3 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.85 0.04 . . . . . . . . . . 26507 3 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.79 0.03 . . . . . . . . . . 26507 3 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.80 0.03 . . . . . . . . . . 26507 3 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.66 0.03 . . . . . . . . . . 26507 3 stop_ save_