######################## # Coupling constants # ######################## save_hnha _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode hnha _Coupling_constant_list.Entry_ID 15728 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $pH_4.3 _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 7 '3D HNHA' . . . 15728 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 4 4 VAL H H 1 . . 1 1 4 4 VAL HA H 1 . 8.40 . . 0.00 . . . 4 VAL H . 4 VAL HA . 15728 1 2 3JHNHA . 1 1 5 5 SER H H 1 . . 1 1 5 5 SER HA H 1 . 8.89 . . 0.00 . . . 5 SER H . 5 SER HA . 15728 1 3 3JHNHA . 1 1 6 6 ARG H H 1 . . 1 1 6 6 ARG HA H 1 . 7.76 . . 0.01 . . . 6 ARG H . 6 ARG HA . 15728 1 4 3JHNHA . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY HA2 H 1 . 5.46 . . 0.03 . . . 7 GLY H . 7 GLY HA2 . 15728 1 5 3JHNHA . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY HA3 H 1 . 5.55 . . 0.03 . . . 7 GLY H . 7 GLY HA3 . 15728 1 6 3JHNHA . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU HA H 1 . 5.83 . . 0.07 . . . 8 LEU H . 8 LEU HA . 15728 1 7 3JHNHA . 1 1 10 10 GLY H H 1 . . 1 1 10 10 GLY HA2 H 1 . 4.10 . . 0.90 . . . 10 GLY H . 10 GLY HA2 . 15728 1 8 3JHNHA . 1 1 10 10 GLY H H 1 . . 1 1 10 10 GLY HA3 H 1 . 5.18 . . 0.65 . . . 10 GLY H . 10 GLY HA3 . 15728 1 9 3JHNHA . 1 1 11 11 GLY H H 1 . . 1 1 11 11 GLY HA2 H 1 . 4.71 . . 0.94 . . . 11 GLY H . 11 GLY HA2 . 15728 1 10 3JHNHA . 1 1 11 11 GLY H H 1 . . 1 1 11 11 GLY HA3 H 1 . 5.19 . . 0.81 . . . 11 GLY H . 11 GLY HA3 . 15728 1 11 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 3.26 . . 1.64 . . . 12 GLU H . 12 GLU HA . 15728 1 12 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 4.38 . . 0.48 . . . 14 VAL H . 14 VAL HA . 15728 1 13 3JHNHA . 1 1 15 15 ALA H H 1 . . 1 1 15 15 ALA HA H 1 . 3.80 . . 0.52 . . . 15 ALA H . 15 ALA HA . 15728 1 14 3JHNHA . 1 1 16 16 VAL H H 1 . . 1 1 16 16 VAL HA H 1 . 3.33 . . 0.73 . . . 16 VAL H . 16 VAL HA . 15728 1 15 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 5.57 . . 1.58 . . . 17 ILE H . 17 ILE HA . 15728 1 16 3JHNHA . 1 1 18 18 PHE H H 1 . . 1 1 18 18 PHE HA H 1 . 2.35 . . 1.96 . . . 18 PHE H . 18 PHE HA . 15728 1 17 3JHNHA . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY HA2 H 1 . 2.94 . . 1.13 . . . 19 GLY H . 19 GLY HA2 . 15728 1 18 3JHNHA . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU HA H 1 . 2.95 . . 2.40 . . . 20 LEU H . 20 LEU HA . 15728 1 19 3JHNHA . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU HA H 1 . 6.15 . . 2.67 . . . 21 LEU H . 21 LEU HA . 15728 1 20 3JHNHA . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU HA H 1 . 5.18 . . 1.91 . . . 22 LEU H . 22 LEU HA . 15728 1 21 3JHNHA . 1 1 25 25 ALA H H 1 . . 1 1 25 25 ALA HA H 1 . 1.09 . . 0.08 . . . 25 ALA H . 25 ALA HA . 15728 1 22 3JHNHA . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU HA H 1 . 3.92 . . 1.00 . . . 27 LEU H . 27 LEU HA . 15728 1 23 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 3.16 . . 1.18 . . . 28 LEU H . 28 LEU HA . 15728 1 24 3JHNHA . 1 1 29 29 GLY H H 1 . . 1 1 29 29 GLY HA2 H 1 . 5.54 . . 0.35 . . . 29 GLY H . 29 GLY HA2 . 15728 1 25 3JHNHA . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE HA H 1 . 5.69 . . 0.26 . . . 30 ILE H . 30 ILE HA . 15728 1 26 3JHNHA . 1 1 31 31 LEU H H 1 . . 1 1 31 31 LEU HA H 1 . 5.30 . . 0.57 . . . 31 LEU H . 31 LEU HA . 15728 1 27 3JHNHA . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL HA H 1 . 4.64 . . 0.32 . . . 32 VAL H . 32 VAL HA . 15728 1 28 3JHNHA . 1 1 33 33 PHE H H 1 . . 1 1 33 33 PHE HA H 1 . 4.38 . . 0.15 . . . 33 PHE H . 33 PHE HA . 15728 1 29 3JHNHA . 1 1 34 34 ARG H H 1 . . 1 1 34 34 ARG HA H 1 . 5.43 . . 0.13 . . . 34 ARG H . 34 ARG HA . 15728 1 30 3JHNHA . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER HA H 1 . 6.82 . . 0.01 . . . 35 SER H . 35 SER HA . 15728 1 31 3JHNHA . 1 1 36 36 ARG H H 1 . . 1 1 36 36 ARG HA H 1 . 6.50 . . 0.02 . . . 36 ARG H . 36 ARG HA . 15728 1 32 3JHNHA . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG HA H 1 . 7.89 . . 0.00 . . . 37 ARG H . 37 ARG HA . 15728 1 33 3JHNHA . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA HA H 1 . 6.81 . . 0.00 . . . 38 ALA H . 38 ALA HA . 15728 1 stop_ save_ ######################## # Coupling constants # ######################## save_hnhb _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode hnhb _Coupling_constant_list.Entry_ID 15728 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $pH_4.3 _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 8 '3D HNHB' . . . 15728 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 3JHNHB . 1 1 14 14 VAL N N 15 . . 1 1 14 14 VAL HB H 1 . 5 . . 0.5 . . . 14 VAL N . 14 VAL HB . 15728 2 2 3JHNHB . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL HB H 1 . 1 . . 0.5 . . . 16 VAL N . 16 VAL HB . 15728 2 3 3JHNHB . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE HB H 1 . 1 . . 0.5 . . . 17 ILE N . 17 ILE HB . 15728 2 4 3JHNHB . 1 1 18 18 PHE N N 15 . . 1 1 18 18 PHE HB2 H 1 . 1 . . 0.5 . . . 18 PHE N . 18 PHE HB2 . 15728 2 5 3JHNHB . 1 1 18 18 PHE N N 15 . . 1 1 18 18 PHE HB3 H 1 . 1 . . 0.5 . . . 18 PHE N . 18 PHE HB3 . 15728 2 6 3JHNHB . 1 1 20 20 LEU N N 15 . . 1 1 20 20 LEU HB2 H 1 . 1 . . 0.5 . . . 20 LEU N . 20 LEU HB2 . 15728 2 7 3JHNHB . 1 1 20 20 LEU N N 15 . . 1 1 20 20 LEU HB3 H 1 . 1 . . 0.5 . . . 20 LEU N . 20 LEU HB3 . 15728 2 8 3JHNHB . 1 1 21 21 LEU N N 15 . . 1 1 21 21 LEU HB2 H 1 . 5 . . 0.5 . . . 21 LEU N . 21 LEU HB2 . 15728 2 9 3JHNHB . 1 1 21 21 LEU N N 15 . . 1 1 21 21 LEU HB3 H 1 . 1 . . 0.5 . . . 21 LEU N . 21 LEU HB3 . 15728 2 10 3JHNHB . 1 1 22 22 LEU N N 15 . . 1 1 22 22 LEU HB2 H 1 . 5 . . 0.5 . . . 22 LEU N . 22 LEU HB2 . 15728 2 11 3JHNHB . 1 1 22 22 LEU N N 15 . . 1 1 22 22 LEU HB3 H 1 . 1 . . 0.5 . . . 22 LEU N . 22 LEU HB3 . 15728 2 12 3JHNHB . 1 1 26 26 LEU N N 15 . . 1 1 26 26 LEU HB2 H 1 . 1 . . 0.5 . . . 26 LEU N . 26 LEU HB2 . 15728 2 13 3JHNHB . 1 1 26 26 LEU N N 15 . . 1 1 26 26 LEU HB3 H 1 . 1 . . 0.5 . . . 26 LEU N . 26 LEU HB3 . 15728 2 14 3JHNHB . 1 1 27 27 LEU N N 15 . . 1 1 27 27 LEU HB2 H 1 . 1 . . 0.5 . . . 27 LEU N . 27 LEU HB2 . 15728 2 15 3JHNHB . 1 1 27 27 LEU N N 15 . . 1 1 27 27 LEU HB3 H 1 . 1 . . 0.5 . . . 27 LEU N . 27 LEU HB3 . 15728 2 16 3JHNHB . 1 1 28 28 LEU N N 15 . . 1 1 28 28 LEU HB2 H 1 . 1 . . 0.5 . . . 28 LEU N . 28 LEU HB2 . 15728 2 17 3JHNHB . 1 1 28 28 LEU N N 15 . . 1 1 28 28 LEU HB3 H 1 . 1 . . 0.5 . . . 28 LEU N . 28 LEU HB3 . 15728 2 18 3JHNHB . 1 1 30 30 ILE N N 15 . . 1 1 30 30 ILE HB H 1 . 1 . . 0.5 . . . 30 ILE N . 30 ILE HB . 15728 2 19 3JHNHB . 1 1 31 31 LEU N N 15 . . 1 1 31 31 LEU HB2 H 1 . 5 . . 0.5 . . . 31 LEU N . 31 LEU HB2 . 15728 2 20 3JHNHB . 1 1 31 31 LEU N N 15 . . 1 1 31 31 LEU HB3 H 1 . 1 . . 0.5 . . . 31 LEU N . 31 LEU HB3 . 15728 2 21 3JHNHB . 1 1 32 32 VAL N N 15 . . 1 1 32 32 VAL HB H 1 . 1 . . 0.5 . . . 32 VAL N . 32 VAL HB . 15728 2 22 3JHNHB . 1 1 33 33 PHE N N 15 . . 1 1 33 33 PHE HB2 H 1 . 5 . . 0.5 . . . 33 PHE N . 33 PHE HB2 . 15728 2 23 3JHNHB . 1 1 33 33 PHE N N 15 . . 1 1 33 33 PHE HB3 H 1 . 1 . . 0.5 . . . 33 PHE N . 33 PHE HB3 . 15728 2 stop_ save_