################################ # Residual dipolar couplings # ################################ save_PEG _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode PEG _RDC_list.Entry_ID 17026 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.5201905 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D J-modulation 1H-15N HSQC' . . . 17026 1 15 '2D J-modulation 1H-15N HSQC' . . . 17026 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $CYANA . . 17026 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL N N 15 . 15.680 . . 6.223 . . . 1 6 VAL H 1 6 VAL N 17026 1 2 DHN . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY N N 15 . 25.164 . . 6.223 . . . 1 7 GLY H 1 7 GLY N 17026 1 3 DHN . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA N N 15 . 27.562 . . 6.223 . . . 1 8 ALA H 1 8 ALA N 17026 1 4 DHN . 1 1 10 10 ALA H H 1 . . 1 1 10 10 ALA N N 15 . 0.665 . . 6.223 . . . 1 10 ALA H 1 10 ALA N 17026 1 5 DHN . 1 1 11 11 GLY H H 1 . . 1 1 11 11 GLY N N 15 . 28.102 . . 6.223 . . . 1 11 GLY H 1 11 GLY N 17026 1 6 DHN . 1 1 12 12 LYS H H 1 . . 1 1 12 12 LYS N N 15 . 29.879 . . 6.223 . . . 1 12 LYS H 1 12 LYS N 17026 1 7 DHN . 1 1 14 14 TRP H H 1 . . 1 1 14 14 TRP N N 15 . 21.743 . . 6.223 . . . 1 14 TRP H 1 14 TRP N 17026 1 8 DHN . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU N N 15 . 15.165 . . 6.223 . . . 1 17 LEU H 1 17 LEU N 17026 1 9 DHN . 1 1 18 18 ASN H H 1 . . 1 1 18 18 ASN N N 15 . 16.922 . . 6.223 . . . 1 18 ASN H 1 18 ASN N 17026 1 10 DHN . 1 1 19 19 GLU H H 1 . . 1 1 19 19 GLU N N 15 . 16.782 . . 6.223 . . . 1 19 GLU H 1 19 GLU N 17026 1 11 DHN . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP N N 15 . 11.974 . . 6.223 . . . 1 21 ASP H 1 21 ASP N 17026 1 12 DHN . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE N N 15 . 0.899 . . 6.223 . . . 1 25 ILE H 1 25 ILE N 17026 1 13 DHN . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU N N 15 . 1.135 . . 6.223 . . . 1 27 GLU H 1 27 GLU N 17026 1 14 DHN . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU N N 15 . 3.420 . . 6.223 . . . 1 28 LEU H 1 28 LEU N 17026 1 15 DHN . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA N N 15 . 0.640 . . 6.223 . . . 1 29 ALA H 1 29 ALA N 17026 1 16 DHN . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG N N 15 . 7.667 . . 6.223 . . . 1 30 ARG H 1 30 ARG N 17026 1 17 DHN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 2.829 . . 6.223 . . . 1 31 LYS H 1 31 LYS N 17026 1 18 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . 1.565 . . 6.223 . . . 1 32 VAL H 1 32 VAL N 17026 1 19 DHN . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . 9.135 . . 6.223 . . . 1 33 ASN H 1 33 ASN N 17026 1 20 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 9.234 . . 6.223 . . . 1 35 SER H 1 35 SER N 17026 1 21 DHN . 1 1 36 36 VAL H H 1 . . 1 1 36 36 VAL N N 15 . -29.367 . . 6.223 . . . 1 36 VAL H 1 36 VAL N 17026 1 22 DHN . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . -21.857 . . 6.223 . . . 1 37 GLU H 1 37 GLU N 17026 1 23 DHN . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER N N 15 . -23.396 . . 6.223 . . . 1 38 SER H 1 38 SER N 17026 1 24 DHN . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU N N 15 . -19.080 . . 6.223 . . . 1 41 LEU H 1 41 LEU N 17026 1 25 DHN . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA N N 15 . -28.900 . . 6.223 . . . 1 42 ALA H 1 42 ALA N 17026 1 26 DHN . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL N N 15 . -29.973 . . 6.223 . . . 1 43 VAL H 1 43 VAL N 17026 1 27 DHN . 1 1 44 44 GLY H H 1 . . 1 1 44 44 GLY N N 15 . -14.416 . . 6.223 . . . 1 44 GLY H 1 44 GLY N 17026 1 28 DHN . 1 1 45 45 TRP H H 1 . . 1 1 45 45 TRP N N 15 . -22.529 . . 6.223 . . . 1 45 TRP H 1 45 TRP N 17026 1 29 DHN . 1 1 46 46 LEU H H 1 . . 1 1 46 46 LEU N N 15 . -32.351 . . 6.223 . . . 1 46 LEU H 1 46 LEU N 17026 1 30 DHN . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA N N 15 . -20.746 . . 6.223 . . . 1 47 ALA H 1 47 ALA N 17026 1 31 DHN . 1 1 48 48 ARG H H 1 . . 1 1 48 48 ARG N N 15 . -10.374 . . 6.223 . . . 1 48 ARG H 1 48 ARG N 17026 1 32 DHN . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . 24.880 . . 6.223 . . . 1 51 LYS H 1 51 LYS N 17026 1 33 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 9.292 . . 6.223 . . . 1 52 VAL H 1 52 VAL N 17026 1 34 DHN . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL N N 15 . 0.559 . . 6.223 . . . 1 53 VAL H 1 53 VAL N 17026 1 35 DHN . 1 1 54 54 ILE H H 1 . . 1 1 54 54 ILE N N 15 . -12.210 . . 6.223 . . . 1 54 ILE H 1 54 ILE N 17026 1 36 DHN . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU N N 15 . -6.601 . . 6.223 . . . 1 55 GLU H 1 55 GLU N 17026 1 37 DHN . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS N N 15 . 5.866 . . 6.223 . . . 1 57 LYS H 1 57 LYS N 17026 1 38 DHN . 1 1 58 58 ASN H H 1 . . 1 1 58 58 ASN N N 15 . -1.057 . . 6.223 . . . 1 58 ASN H 1 58 ASN N 17026 1 39 DHN . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY N N 15 . -17.569 . . 6.223 . . . 1 59 GLY H 1 59 GLY N 17026 1 40 DHN . 1 1 60 60 LEU H H 1 . . 1 1 60 60 LEU N N 15 . 23.180 . . 6.223 . . . 1 60 LEU H 1 60 LEU N 17026 1 41 DHN . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU N N 15 . -8.563 . . 6.223 . . . 1 62 GLU H 1 62 GLU N 17026 1 42 DHN . 1 1 63 63 ILE H H 1 . . 1 1 63 63 ILE N N 15 . -14.774 . . 6.223 . . . 1 63 ILE H 1 63 ILE N 17026 1 43 DHN . 1 1 64 64 TYR H H 1 . . 1 1 64 64 TYR N N 15 . 4.386 . . 6.223 . . . 1 64 TYR H 1 64 TYR N 17026 1 44 DHN . 1 1 65 65 ASN H H 1 . . 1 1 65 65 ASN N N 15 . 15.297 . . 6.223 . . . 1 65 ASN H 1 65 ASN N 17026 1 45 DHN . 1 1 66 66 GLU H H 1 . . 1 1 66 66 GLU N N 15 . 18.109 . . 6.223 . . . 1 66 GLU H 1 66 GLU N 17026 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_PAAG _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode PAAG _RDC_list.Entry_ID 17026 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.5201905 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D J-modulation 1H-15N HSQC' . . . 17026 2 16 '2D J-modulation 1H-15N HSQC' . . . 17026 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $CYANA . . 17026 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 5 5 ILE H H 1 . . 1 1 5 5 ILE N N 15 . -3.933 . . 1.428 . . . 1 5 ILE H 1 5 ILE N 17026 2 2 DHN . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL N N 15 . -2.141 . . 1.428 . . . 1 6 VAL H 1 6 VAL N 17026 2 3 DHN . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY N N 15 . -5.840 . . 1.428 . . . 1 7 GLY H 1 7 GLY N 17026 2 4 DHN . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA N N 15 . -6.456 . . 1.428 . . . 1 8 ALA H 1 8 ALA N 17026 2 5 DHN . 1 1 11 11 GLY H H 1 . . 1 1 11 11 GLY N N 15 . -7.976 . . 1.428 . . . 1 11 GLY H 1 11 GLY N 17026 2 6 DHN . 1 1 12 12 LYS H H 1 . . 1 1 12 12 LYS N N 15 . -5.753 . . 1.428 . . . 1 12 LYS H 1 12 LYS N 17026 2 7 DHN . 1 1 14 14 TRP H H 1 . . 1 1 14 14 TRP N N 15 . -5.508 . . 1.428 . . . 1 14 TRP H 1 14 TRP N 17026 2 8 DHN . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU N N 15 . -4.144 . . 1.428 . . . 1 17 LEU H 1 17 LEU N 17026 2 9 DHN . 1 1 18 18 ASN H H 1 . . 1 1 18 18 ASN N N 15 . -6.493 . . 1.428 . . . 1 18 ASN H 1 18 ASN N 17026 2 10 DHN . 1 1 19 19 GLU H H 1 . . 1 1 19 19 GLU N N 15 . -4.592 . . 1.428 . . . 1 19 GLU H 1 19 GLU N 17026 2 11 DHN . 1 1 20 20 ALA H H 1 . . 1 1 20 20 ALA N N 15 . -4.668 . . 1.428 . . . 1 20 ALA H 1 20 ALA N 17026 2 12 DHN . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP N N 15 . -3.339 . . 1.428 . . . 1 21 ASP H 1 21 ASP N 17026 2 13 DHN . 1 1 23 23 ILE H H 1 . . 1 1 23 23 ILE N N 15 . 3.177 . . 1.428 . . . 1 23 ILE H 1 23 ILE N 17026 2 14 DHN . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE N N 15 . 1.642 . . 1.428 . . . 1 25 ILE H 1 25 ILE N 17026 2 15 DHN . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU N N 15 . -1.497 . . 1.428 . . . 1 27 GLU H 1 27 GLU N 17026 2 16 DHN . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU N N 15 . 0.927 . . 1.428 . . . 1 28 LEU H 1 28 LEU N 17026 2 17 DHN . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA N N 15 . 0.141 . . 1.428 . . . 1 29 ALA H 1 29 ALA N 17026 2 18 DHN . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG N N 15 . -4.479 . . 1.428 . . . 1 30 ARG H 1 30 ARG N 17026 2 19 DHN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . -0.637 . . 1.428 . . . 1 31 LYS H 1 31 LYS N 17026 2 20 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . 2.160 . . 1.428 . . . 1 32 VAL H 1 32 VAL N 17026 2 21 DHN . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . -3.918 . . 1.428 . . . 1 33 ASN H 1 33 ASN N 17026 2 22 DHN . 1 1 34 34 LEU H H 1 . . 1 1 34 34 LEU N N 15 . -5.941 . . 1.428 . . . 1 34 LEU H 1 34 LEU N 17026 2 23 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . -5.707 . . 1.428 . . . 1 35 SER H 1 35 SER N 17026 2 24 DHN . 1 1 36 36 VAL H H 1 . . 1 1 36 36 VAL N N 15 . 5.369 . . 1.428 . . . 1 36 VAL H 1 36 VAL N 17026 2 25 DHN . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . 3.099 . . 1.428 . . . 1 37 GLU H 1 37 GLU N 17026 2 26 DHN . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER N N 15 . 5.407 . . 1.428 . . . 1 38 SER H 1 38 SER N 17026 2 27 DHN . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU N N 15 . 2.224 . . 1.428 . . . 1 41 LEU H 1 41 LEU N 17026 2 28 DHN . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA N N 15 . 5.584 . . 1.428 . . . 1 42 ALA H 1 42 ALA N 17026 2 29 DHN . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL N N 15 . 5.078 . . 1.428 . . . 1 43 VAL H 1 43 VAL N 17026 2 30 DHN . 1 1 44 44 GLY H H 1 . . 1 1 44 44 GLY N N 15 . 1.375 . . 1.428 . . . 1 44 GLY H 1 44 GLY N 17026 2 31 DHN . 1 1 45 45 TRP H H 1 . . 1 1 45 45 TRP N N 15 . 4.407 . . 1.428 . . . 1 45 TRP H 1 45 TRP N 17026 2 32 DHN . 1 1 46 46 LEU H H 1 . . 1 1 46 46 LEU N N 15 . 2.544 . . 1.428 . . . 1 46 LEU H 1 46 LEU N 17026 2 33 DHN . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA N N 15 . 3.464 . . 1.428 . . . 1 47 ALA H 1 47 ALA N 17026 2 34 DHN . 1 1 48 48 ARG H H 1 . . 1 1 48 48 ARG N N 15 . -0.995 . . 1.428 . . . 1 48 ARG H 1 48 ARG N 17026 2 35 DHN . 1 1 49 49 GLU H H 1 . . 1 1 49 49 GLU N N 15 . 4.344 . . 1.428 . . . 1 49 GLU H 1 49 GLU N 17026 2 36 DHN . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . -6.750 . . 1.428 . . . 1 51 LYS H 1 51 LYS N 17026 2 37 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 1.669 . . 1.428 . . . 1 52 VAL H 1 52 VAL N 17026 2 38 DHN . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL N N 15 . 3.315 . . 1.428 . . . 1 53 VAL H 1 53 VAL N 17026 2 39 DHN . 1 1 54 54 ILE H H 1 . . 1 1 54 54 ILE N N 15 . 4.230 . . 1.428 . . . 1 54 ILE H 1 54 ILE N 17026 2 40 DHN . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU N N 15 . 1.874 . . 1.428 . . . 1 55 GLU H 1 55 GLU N 17026 2 41 DHN . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS N N 15 . -4.176 . . 1.428 . . . 1 57 LYS H 1 57 LYS N 17026 2 42 DHN . 1 1 58 58 ASN H H 1 . . 1 1 58 58 ASN N N 15 . -1.750 . . 1.428 . . . 1 58 ASN H 1 58 ASN N 17026 2 43 DHN . 1 1 59 59 GLY H H 1 . . 1 1 59 59 GLY N N 15 . 2.533 . . 1.428 . . . 1 59 GLY H 1 59 GLY N 17026 2 44 DHN . 1 1 60 60 LEU H H 1 . . 1 1 60 60 LEU N N 15 . -5.136 . . 1.428 . . . 1 60 LEU H 1 60 LEU N 17026 2 45 DHN . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU N N 15 . 1.692 . . 1.428 . . . 1 62 GLU H 1 62 GLU N 17026 2 46 DHN . 1 1 63 63 ILE H H 1 . . 1 1 63 63 ILE N N 15 . 3.590 . . 1.428 . . . 1 63 ILE H 1 63 ILE N 17026 2 47 DHN . 1 1 64 64 TYR H H 1 . . 1 1 64 64 TYR N N 15 . 2.911 . . 1.428 . . . 1 64 TYR H 1 64 TYR N 17026 2 48 DHN . 1 1 65 65 ASN H H 1 . . 1 1 65 65 ASN N N 15 . -1.713 . . 1.428 . . . 1 65 ASN H 1 65 ASN N 17026 2 49 DHN . 1 1 66 66 GLU H H 1 . . 1 1 66 66 GLU N N 15 . -7.632 . . 1.428 . . . 1 66 GLU H 1 66 GLU N 17026 2 stop_ save_