######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5558 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Sample_condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details ; Add 584 to the given residue number to get the wild-type residue number as given in the PDB structure file 1H5P. ; _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 . 5558 1 . . 2 $Sample_2 . 5558 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 20 20 GLU H . . . . 1 1 20 20 GLU HA . . . 10.57 . . 1 . . . . . . . . . . . 5558 1 2 3JHNHA . 1 1 23 23 VAL H . . . . 1 1 23 23 VAL HA . . . 11.48 . . 1 . . . . . . . . . . . 5558 1 3 3JHNHA . 1 1 24 24 THR H . . . . 1 1 24 24 THR HA . . . 10.28 . . 1 . . . . . . . . . . . 5558 1 4 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 9.83 . . 1 . . . . . . . . . . . 5558 1 5 3JHNHA . 1 1 31 31 THR H . . . . 1 1 31 31 THR HA . . . 11.03 . . 1 . . . . . . . . . . . 5558 1 6 3JHNHA . 1 1 32 32 LEU H . . . . 1 1 32 32 LEU HA . . . 8.70 . . 1 . . . . . . . . . . . 5558 1 7 3JHNHA . 1 1 33 33 TYR H . . . . 1 1 33 33 TYR HA . . . 9.92 . . 1 . . . . . . . . . . . 5558 1 8 3JHNHA . 1 1 45 45 CYS H . . . . 1 1 45 45 CYS HA . . . 9.22 . . 1 . . . . . . . . . . . 5558 1 9 3JHNHA . 1 1 46 46 ILE H . . . . 1 1 46 46 ILE HA . . . 10.16 . . 1 . . . . . . . . . . . 5558 1 10 3JHNHA . 1 1 47 47 GLN H . . . . 1 1 47 47 GLN HA . . . 10.51 . . 1 . . . . . . . . . . . 5558 1 11 3JHNHA . 1 1 51 51 LYS H . . . . 1 1 51 51 LYS HA . . . 8.54 . . 1 . . . . . . . . . . . 5558 1 12 3JHNHA . 1 1 52 52 LYS H . . . . 1 1 52 52 LYS HA . . . 9.68 . . 1 . . . . . . . . . . . 5558 1 13 3JHNHA . 1 1 53 53 TRP H . . . . 1 1 53 53 TRP HA . . . 9.77 . . 1 . . . . . . . . . . . 5558 1 14 3JHNHA . 1 1 54 54 PHE H . . . . 1 1 54 54 PHE HA . . . 10.24 . . 1 . . . . . . . . . . . 5558 1 15 3JHNHA . 1 1 55 55 THR H . . . . 1 1 55 55 THR HA . . . 8.05 . . 1 . . . . . . . . . . . 5558 1 16 3JHNHA . 1 1 57 57 ARG H . . . . 1 1 57 57 ARG HA . . . 4.81 . . 1 . . . . . . . . . . . 5558 1 17 3JHNHA . 1 1 59 59 PHE H . . . . 1 1 59 59 PHE HA . . . 5.64 . . 1 . . . . . . . . . . . 5558 1 18 3JHNHA . 1 1 60 60 GLU H . . . . 1 1 60 60 GLU HA . . . 4.56 . . 1 . . . . . . . . . . . 5558 1 19 3JHNHA . 1 1 61 61 ILE H . . . . 1 1 61 61 ILE HA . . . 5.61 . . 1 . . . . . . . . . . . 5558 1 20 3JHNHA . 1 1 62 62 GLU H . . . . 1 1 62 62 GLU HA . . . 5.32 . . 1 . . . . . . . . . . . 5558 1 21 3JHNHA . 1 1 70 70 ASN H . . . . 1 1 70 70 ASN HA . . . 4.67 . . 1 . . . . . . . . . . . 5558 1 22 3JHNHA . 1 1 71 71 TRP H . . . . 1 1 71 71 TRP HA . . . 2.43 . . 1 . . . . . . . . . . . 5558 1 23 3JHNHA . 1 1 72 72 LYS H . . . . 1 1 72 72 LYS HA . . . 5.90 . . 1 . . . . . . . . . . . 5558 1 24 3JHNHA . 1 1 76 76 ARG H . . . . 1 1 76 76 ARG HA . . . 10.62 . . 1 . . . . . . . . . . . 5558 1 25 3JHNHA . 1 1 77 77 CYS H . . . . 1 1 77 77 CYS HA . . . 9.67 . . 1 . . . . . . . . . . . 5558 1 26 3JHNHA . 1 1 82 82 LEU H . . . . 1 1 82 82 LEU HA . . . 4.34 . . 1 . . . . . . . . . . . 5558 1 27 3JHNHA . 1 1 83 83 LYS H . . . . 1 1 83 83 LYS HA . . . 2.74 . . 1 . . . . . . . . . . . 5558 1 28 3JHNHA . 1 1 84 84 VAL H . . . . 1 1 84 84 VAL HA . . . 6.65 . . 1 . . . . . . . . . . . 5558 1 29 3JHNHA . 1 1 86 86 MET H . . . . 1 1 86 86 MET HA . . . 5.92 . . 1 . . . . . . . . . . . 5558 1 30 3JHNHA . 1 1 87 87 GLU H . . . . 1 1 87 87 GLU HA . . . 5.15 . . 1 . . . . . . . . . . . 5558 1 stop_ save_