######################## # Coupling constants # ######################## save_JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHNHA _Coupling_constant_list.Entry_ID 4630 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4630 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 6 6 ASP H H 1 . . 1 1 6 6 ASP HA H 1 . 5.70 . . . . . . . . . . . . . . 4630 1 2 3JHNHA . 1 1 9 9 PHE H H 1 . . 1 1 9 9 PHE HA H 1 . 2.90 . . . . . . . . . . . . . . 4630 1 3 3JHNHA . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA HA H 1 . 4.90 . . . . . . . . . . . . . . 4630 1 4 3JHNHA . 1 1 13 13 CYS H H 1 . . 1 1 13 13 CYS HA H 1 . 3.90 . . . . . . . . . . . . . . 4630 1 5 3JHNHA . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU HA H 1 . 3.10 . . . . . . . . . . . . . . 4630 1 6 3JHNHA . 1 1 15 15 TYR H H 1 . . 1 1 15 15 TYR HA H 1 . 9.50 . . . . . . . . . . . . . . 4630 1 7 3JHNHA . 1 1 17 17 CYS H H 1 . . 1 1 17 17 CYS HA H 1 . 8.20 . . . . . . . . . . . . . . 4630 1 8 3JHNHA . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN HA H 1 . 8.90 . . . . . . . . . . . . . . 4630 1 9 3JHNHA . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN HA H 1 . 4.30 . . . . . . . . . . . . . . 4630 1 10 3JHNHA . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR HA H 1 . 8.60 . . . . . . . . . . . . . . 4630 1 11 3JHNHA . 1 1 26 26 LEU H H 1 . . 1 1 26 26 LEU HA H 1 . 8.40 . . . . . . . . . . . . . . 4630 1 12 3JHNHA . 1 1 28 28 VAL H H 1 . . 1 1 28 28 VAL HA H 1 . 8.90 . . . . . . . . . . . . . . 4630 1 13 3JHNHA . 1 1 29 29 CYS H H 1 . . 1 1 29 29 CYS HA H 1 . 8.10 . . . . . . . . . . . . . . 4630 1 14 3JHNHA . 1 1 30 30 ALA H H 1 . . 1 1 30 30 ALA HA H 1 . 4.90 . . . . . . . . . . . . . . 4630 1 15 3JHNHA . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU HA H 1 . 2.30 . . . . . . . . . . . . . . 4630 1 16 3JHNHA . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE HA H 1 . 4.70 . . . . . . . . . . . . . . 4630 1 17 3JHNHA . 1 1 43 43 CYS H H 1 . . 1 1 43 43 CYS HA H 1 . 8.10 . . . . . . . . . . . . . . 4630 1 18 3JHNHA . 1 1 45 45 MET H H 1 . . 1 1 45 45 MET HA H 1 . 3.60 . . . . . . . . . . . . . . 4630 1 19 3JHNHA . 1 1 52 52 CYS H H 1 . . 1 1 52 52 CYS HA H 1 . 8.10 . . . . . . . . . . . . . . 4630 1 20 3JHNHA . 1 1 54 54 ALA H H 1 . . 1 1 54 54 ALA HA H 1 . 4.10 . . . . . . . . . . . . . . 4630 1 21 3JHNHA . 1 1 56 56 CYS H H 1 . . 1 1 56 56 CYS HA H 1 . 4.10 . . . . . . . . . . . . . . 4630 1 22 3JHNHA . 1 1 60 60 THR H H 1 . . 1 1 60 60 THR HA H 1 . 8.60 . . . . . . . . . . . . . . 4630 1 23 3JHNHA . 1 1 62 62 ALA H H 1 . . 1 1 62 62 ALA HA H 1 . 4.60 . . . . . . . . . . . . . . 4630 1 24 3JHNHA . 1 1 68 68 GLU H H 1 . . 1 1 68 68 GLU HA H 1 . 4.40 . . . . . . . . . . . . . . 4630 1 25 3JHNHA . 1 1 70 70 TYR H H 1 . . 1 1 70 70 TYR HA H 1 . 4.70 . . . . . . . . . . . . . . 4630 1 26 3JHNHA . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU HA H 1 . 4.60 . . . . . . . . . . . . . . 4630 1 27 3JHNHA . 1 1 74 74 ASP H H 1 . . 1 1 74 74 ASP HA H 1 . 4.60 . . . . . . . . . . . . . . 4630 1 28 3JHNHA . 1 1 77 77 ILE H H 1 . . 1 1 77 77 ILE HA H 1 . 5.40 . . . . . . . . . . . . . . 4630 1 29 3JHNHA . 1 1 81 81 ILE H H 1 . . 1 1 81 81 ILE HA H 1 . 5.50 . . . . . . . . . . . . . . 4630 1 stop_ save_ ######################## # Coupling constants # ######################## save_JHAHB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHAHB _Coupling_constant_list.Entry_ID 4630 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4630 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHAHB . 1 1 8 8 CYS HA H 1 . . 1 1 8 8 CYS HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 2 3JHAHB . 1 1 8 8 CYS HA H 1 . . 1 1 8 8 CYS HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 3 3JHAHB . 1 1 10 10 ARG HA H 1 . . 1 1 10 10 ARG HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 4 3JHAHB . 1 1 10 10 ARG HA H 1 . . 1 1 10 10 ARG HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 5 3JHAHB . 1 1 15 15 TYR HA H 1 . . 1 1 15 15 TYR HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 6 3JHAHB . 1 1 15 15 TYR HA H 1 . . 1 1 15 15 TYR HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 7 3JHAHB . 1 1 27 27 CYS HA H 1 . . 1 1 27 27 CYS HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 8 3JHAHB . 1 1 27 27 CYS HA H 1 . . 1 1 27 27 CYS HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 9 3JHAHB . 1 1 29 29 CYS HA H 1 . . 1 1 29 29 CYS HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 10 3JHAHB . 1 1 29 29 CYS HA H 1 . . 1 1 29 29 CYS HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 11 3JHAHB . 1 1 33 33 PHE HA H 1 . . 1 1 33 33 PHE HB2 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 12 3JHAHB . 1 1 33 33 PHE HA H 1 . . 1 1 33 33 PHE HB3 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 13 3JHAHB . 1 1 66 66 CYS HA H 1 . . 1 1 66 66 CYS HB2 H 1 . 12.00 . . . . . . . . . . . . . . 4630 2 14 3JHAHB . 1 1 66 66 CYS HA H 1 . . 1 1 66 66 CYS HB3 H 1 . 4.00 . . . . . . . . . . . . . . 4630 2 stop_ save_