######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 6627 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details 'DPC micelles solution' _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 6 'NOESY - infit' 2 $sample_1 isotropic 6627 1 7 'COSY -acme' 2 $sample_1 isotropic 6627 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 1 1 CYS H H 1 . . 1 1 1 1 CYS HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 6627 1 2 3JHNHA . 1 1 3 3 GLU H H 1 . . 1 1 3 3 GLU HA H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 1 3 3JHNHA . 1 1 4 4 THR H H 1 . . 1 1 4 4 THR HA H 1 . 8.5 . . 0.5 . . . . . . . . . . . 6627 1 4 3JHNHA . 1 1 5 5 CYS H H 1 . . 1 1 5 5 CYS HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 1 5 3JHNHA . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL HA H 1 . 5.7 . . 0.5 . . . . . . . . . . . 6627 1 6 3JHNHA . 1 1 9 9 THR H H 1 . . 1 1 9 9 THR HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 1 7 3JHNHA . 1 1 10 10 CYS H H 1 . . 1 1 10 10 CYS HA H 1 . 8.7 . . 0.5 . . . . . . . . . . . 6627 1 8 3JHNHA . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN HA H 1 . 9.4 . . 0.5 . . . . . . . . . . . 6627 1 9 3JHNHA . 1 1 12 12 THR H H 1 . . 1 1 12 12 THR HA H 1 . 4.5 . . 0.5 . . . . . . . . . . . 6627 1 10 3JHNHA . 1 1 15 15 CYS H H 1 . . 1 1 15 15 CYS HA H 1 . 9.5 . . 0.5 . . . . . . . . . . . 6627 1 11 3JHNHA . 1 1 16 16 THR H H 1 . . 1 1 16 16 THR HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 1 12 3JHNHA . 1 1 17 17 CYS H H 1 . . 1 1 17 17 CYS HA H 1 . 6.0 . . 0.5 . . . . . . . . . . . 6627 1 13 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 1 14 3JHNHA . 1 1 19 19 TRP H H 1 . . 1 1 19 19 TRP HA H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 15 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 9.3 . . 0.5 . . . . . . . . . . . 6627 1 16 3JHNHA . 1 1 22 22 CYS H H 1 . . 1 1 22 22 CYS HA H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 1 17 3JHNHA . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR HA H 1 . 10.3 . . 0.5 . . . . . . . . . . . 6627 1 18 3JHNHA . 1 1 24 24 ARG H H 1 . . 1 1 24 24 ARG HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . 6627 1 19 3JHNHA . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN HA H 1 . 6.6 . . 0.5 . . . . . . . . . . . 6627 1 20 3JHNHA . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU HA H 1 . 8.6 . . 0.5 . . . . . . . . . . . 6627 1 21 3JHNHA . 1 1 29 29 VAL H H 1 . . 1 1 29 29 VAL HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 6627 1 22 3JHAHB2 . 1 1 1 1 CYS HA H 1 . . 1 1 1 1 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 1 23 3JHAHB3 . 1 1 1 1 CYS HA H 1 . . 1 1 1 1 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 24 3JHAHB2 . 1 1 3 3 GLU HA H 1 . . 1 1 3 3 GLU HB2 H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 1 25 3JHAHB3 . 1 1 3 3 GLU HA H 1 . . 1 1 3 3 GLU HB3 H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 1 26 3JHAHB2 . 1 1 5 5 CYS HA H 1 . . 1 1 5 5 CYS HB2 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 27 3JHAHB3 . 1 1 5 5 CYS HA H 1 . . 1 1 5 5 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 28 3JHAHB . 1 1 6 6 VAL HA H 1 . . 1 1 6 6 VAL HB H 1 . 10.5 . . 0.5 . . . . . . . . . . . 6627 1 29 3JHAHB . 1 1 9 9 THR HA H 1 . . 1 1 9 9 THR HB H 1 . 5.6 . . 0.5 . . . . . . . . . . . 6627 1 30 3JHAHB2 . 1 1 10 10 CYS HA H 1 . . 1 1 10 10 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 1 31 3JHAHB3 . 1 1 10 10 CYS HA H 1 . . 1 1 10 10 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 32 3JHAHB . 1 1 12 12 THR HA H 1 . . 1 1 12 12 THR HB H 1 . 8.7 . . 0.5 . . . . . . . . . . . 6627 1 33 3JHAHB2 . 1 1 15 15 CYS HA H 1 . . 1 1 15 15 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 1 34 3JHAHB3 . 1 1 15 15 CYS HA H 1 . . 1 1 15 15 CYS HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 35 3JHAHB . 1 1 16 16 THR HA H 1 . . 1 1 16 16 THR HB H 1 . 5.0 . . 0.5 . . . . . . . . . . . 6627 1 36 3JHAHB2 . 1 1 17 17 CYS HA H 1 . . 1 1 17 17 CYS HB2 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 37 3JHAHB3 . 1 1 17 17 CYS HA H 1 . . 1 1 17 17 CYS HB3 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 1 38 3JHAHB2 . 1 1 18 18 SER HA H 1 . . 1 1 18 18 SER HB2 H 1 . 9.5 . . 0.5 . . . . . . . . . . . 6627 1 39 3JHAHB3 . 1 1 18 18 SER HA H 1 . . 1 1 18 18 SER HB2 H 1 . 4.7 . . 0.5 . . . . . . . . . . . 6627 1 40 3JHAHB . 1 1 21 21 VAL HA H 1 . . 1 1 21 21 VAL HB H 1 . 6.7 . . 0.5 . . . . . . . . . . . 6627 1 41 3JHAHB2 . 1 1 22 22 CYS HA H 1 . . 1 1 22 22 CYS HB2 H 1 . 14.0 . . 0.5 . . . . . . . . . . . 6627 1 42 3JHAHB3 . 1 1 22 22 CYS HA H 1 . . 1 1 22 22 CYS HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 43 3JHAHB . 1 1 23 23 THR HA H 1 . . 1 1 23 23 THR HB H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 44 3JHAHB2 . 1 1 25 25 ASN HA H 1 . . 1 1 25 25 ASN HB2 H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 1 45 3JHAHB3 . 1 1 25 25 ASN HA H 1 . . 1 1 25 25 ASN HB3 H 1 . 6.0 . . 0.5 . . . . . . . . . . . 6627 1 46 3JHAHB2 . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU HB2 H 1 . 13.0 . . 0.5 . . . . . . . . . . . 6627 1 47 3JHAHB3 . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 48 3JHB2HG . 1 1 27 27 LEU HB2 H 1 . . 1 1 27 27 LEU HG H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 1 49 3JHB3HG . 1 1 27 27 LEU HB3 H 1 . . 1 1 27 27 LEU HG H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 1 50 3JHAHB . 1 1 29 29 VAL HA H 1 . . 1 1 29 29 VAL HB H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_2 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_2 _Coupling_constant_list.Entry_ID 6627 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $conditions_2 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details 'D2O soloution' _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 8 'long-range band selective HMQC' 2 $sample_2 isotropic 6627 2 9 'quantitative J correlation' 2 $sample_2 isotropic 6627 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 3JHNHA . 1 1 1 1 CYS H H 1 . . 1 1 1 1 CYS HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 6627 2 2 3JHNHA . 1 1 3 3 GLU H H 1 . . 1 1 3 3 GLU HA H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 2 3 3JHNHA . 1 1 4 4 THR H H 1 . . 1 1 4 4 THR HA H 1 . 8.5 . . 0.5 . . . . . . . . . . . 6627 2 4 3JHNHA . 1 1 5 5 CYS H H 1 . . 1 1 5 5 CYS HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 2 5 3JHNHA . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL HA H 1 . 5.7 . . 0.5 . . . . . . . . . . . 6627 2 6 3JHNHA . 1 1 9 9 THR H H 1 . . 1 1 9 9 THR HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 2 7 3JHNHA . 1 1 10 10 CYS H H 1 . . 1 1 10 10 CYS HA H 1 . 8.7 . . 0.5 . . . . . . . . . . . 6627 2 8 3JHNHA . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN HA H 1 . 9.4 . . 0.5 . . . . . . . . . . . 6627 2 9 3JHNHA . 1 1 12 12 THR H H 1 . . 1 1 12 12 THR HA H 1 . 4.5 . . 0.5 . . . . . . . . . . . 6627 2 10 3JHNHA . 1 1 15 15 CYS H H 1 . . 1 1 15 15 CYS HA H 1 . 9.5 . . 0.5 . . . . . . . . . . . 6627 2 11 3JHNHA . 1 1 16 16 THR H H 1 . . 1 1 16 16 THR HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 2 12 3JHNHA . 1 1 17 17 CYS H H 1 . . 1 1 17 17 CYS HA H 1 . 6.0 . . 0.5 . . . . . . . . . . . 6627 2 13 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 2 14 3JHNHA . 1 1 19 19 TRP H H 1 . . 1 1 19 19 TRP HA H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 15 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 9.3 . . 0.5 . . . . . . . . . . . 6627 2 16 3JHNHA . 1 1 22 22 CYS H H 1 . . 1 1 22 22 CYS HA H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 2 17 3JHNHA . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR HA H 1 . 10.3 . . 0.5 . . . . . . . . . . . 6627 2 18 3JHNHA . 1 1 24 24 ARG H H 1 . . 1 1 24 24 ARG HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . 6627 2 19 3JHNHA . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN HA H 1 . 6.6 . . 0.5 . . . . . . . . . . . 6627 2 20 3JHNHA . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU HA H 1 . 8.6 . . 0.5 . . . . . . . . . . . 6627 2 21 3JHNHA . 1 1 29 29 VAL H H 1 . . 1 1 29 29 VAL HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 6627 2 22 3JHAHB2 . 1 1 1 1 CYS HA H 1 . . 1 1 1 1 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 2 23 3JHAHB3 . 1 1 1 1 CYS HA H 1 . . 1 1 1 1 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 24 3JHAHB2 . 1 1 3 3 GLU HA H 1 . . 1 1 3 3 GLU HB2 H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 2 25 3JHAHB3 . 1 1 3 3 GLU HA H 1 . . 1 1 3 3 GLU HB3 H 1 . 7.0 . . 0.5 . . . . . . . . . . . 6627 2 26 3JHAHB2 . 1 1 5 5 CYS HA H 1 . . 1 1 5 5 CYS HB2 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 27 3JHAHB3 . 1 1 5 5 CYS HA H 1 . . 1 1 5 5 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 28 3JHAHB . 1 1 6 6 VAL HA H 1 . . 1 1 6 6 VAL HB H 1 . 10.5 . . 0.5 . . . . . . . . . . . 6627 2 29 3JHAHB . 1 1 9 9 THR HA H 1 . . 1 1 9 9 THR HB H 1 . 5.6 . . 0.5 . . . . . . . . . . . 6627 2 30 3JHAHB2 . 1 1 10 10 CYS HA H 1 . . 1 1 10 10 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 2 31 3JHAHB3 . 1 1 10 10 CYS HA H 1 . . 1 1 10 10 CYS HB3 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 32 3JHAHB . 1 1 12 12 THR HA H 1 . . 1 1 12 12 THR HB H 1 . 8.7 . . 0.5 . . . . . . . . . . . 6627 2 33 3JHAHB2 . 1 1 15 15 CYS HA H 1 . . 1 1 15 15 CYS HB2 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 2 34 3JHAHB3 . 1 1 15 15 CYS HA H 1 . . 1 1 15 15 CYS HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 35 3JHAHB . 1 1 16 16 THR HA H 1 . . 1 1 16 16 THR HB H 1 . 5.0 . . 0.5 . . . . . . . . . . . 6627 2 36 3JHAHB2 . 1 1 17 17 CYS HA H 1 . . 1 1 17 17 CYS HB2 H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 37 3JHAHB3 . 1 1 17 17 CYS HA H 1 . . 1 1 17 17 CYS HB3 H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 2 38 3JHAHB2 . 1 1 18 18 SER HA H 1 . . 1 1 18 18 SER HB2 H 1 . 9.5 . . 0.5 . . . . . . . . . . . 6627 2 39 3JHAHB3 . 1 1 18 18 SER HA H 1 . . 1 1 18 18 SER HB2 H 1 . 4.7 . . 0.5 . . . . . . . . . . . 6627 2 40 3JHAHB . 1 1 21 21 VAL HA H 1 . . 1 1 21 21 VAL HB H 1 . 6.7 . . 0.5 . . . . . . . . . . . 6627 2 41 3JHAHB2 . 1 1 22 22 CYS HA H 1 . . 1 1 22 22 CYS HB2 H 1 . 14.0 . . 0.5 . . . . . . . . . . . 6627 2 42 3JHAHB3 . 1 1 22 22 CYS HA H 1 . . 1 1 22 22 CYS HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 43 3JHAHB . 1 1 23 23 THR HA H 1 . . 1 1 23 23 THR HB H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 44 3JHAHB2 . 1 1 25 25 ASN HA H 1 . . 1 1 25 25 ASN HB2 H 1 . 9.0 . . 0.5 . . . . . . . . . . . 6627 2 45 3JHAHB3 . 1 1 25 25 ASN HA H 1 . . 1 1 25 25 ASN HB3 H 1 . 6.0 . . 0.5 . . . . . . . . . . . 6627 2 46 3JHAHB2 . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU HB2 H 1 . 13.0 . . 0.5 . . . . . . . . . . . 6627 2 47 3JHAHB3 . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU HB3 H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 48 3JHB2HG . 1 1 27 27 LEU HB2 H 1 . . 1 1 27 27 LEU HG H 1 . 3.0 . . 0.5 . . . . . . . . . . . 6627 2 49 3JHB3HG . 1 1 27 27 LEU HB3 H 1 . . 1 1 27 27 LEU HG H 1 . 12.0 . . 0.5 . . . . . . . . . . . 6627 2 50 3JHAHB . 1 1 29 29 VAL HA H 1 . . 1 1 29 29 VAL HB H 1 . 4.0 . . 0.5 . . . . . . . . . . . 6627 2 stop_ save_