################################ # Residual dipolar couplings # ################################ save_PEG _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode PEG _RDC_list.Entry_ID 16944 _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 600 _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 NH-J-modulation . . . 16944 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 5 $NMRDraw . . 16944 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 4 4 GLY N N 15 . . 1 1 4 4 GLY H H 1 . 2.395 . . 1.5 . . . 1 4 G N 1 4 G H 16944 1 2 DHN . 1 1 5 5 ILE N N 15 . . 1 1 5 5 ILE H H 1 . -5.336 . . 1.5 . . . 1 5 I N 1 5 I H 16944 1 3 DHN . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL H H 1 . -11.035 . . 1.5 . . . 1 6 V N 1 6 V H 16944 1 4 DHN . 1 1 7 7 ASN N N 15 . . 1 1 7 7 ASN H H 1 . -5.796 . . 1.5 . . . 1 7 N N 1 7 N H 16944 1 5 DHN . 1 1 10 10 SER N N 15 . . 1 1 10 10 SER H H 1 . -6.768 . . 1.5 . . . 1 10 S N 1 10 S H 16944 1 6 DHN . 1 1 11 11 SER N N 15 . . 1 1 11 11 SER H H 1 . -1.739 . . 1.5 . . . 1 11 S N 1 11 S H 16944 1 7 DHN . 1 1 12 12 LEU N N 15 . . 1 1 12 12 LEU H H 1 . -4.567 . . 1.5 . . . 1 12 L N 1 12 L H 16944 1 8 DHN . 1 1 14 14 VAL N N 15 . . 1 1 14 14 VAL H H 1 . -0.366 . . 1.5 . . . 1 14 V N 1 14 V H 16944 1 9 DHN . 1 1 15 15 ARG N N 15 . . 1 1 15 15 ARG H H 1 . 14.732 . . 1.5 . . . 1 15 R N 1 15 R H 16944 1 10 DHN . 1 1 16 16 SER N N 15 . . 1 1 16 16 SER H H 1 . 8.964 . . 1.5 . . . 1 16 S N 1 16 S H 16944 1 11 DHN . 1 1 17 17 SER N N 15 . . 1 1 17 17 SER H H 1 . -11.15 . . 1.5 . . . 1 17 S N 1 17 S H 16944 1 12 DHN . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H H 1 . -12.417 . . 1.5 . . . 1 18 A N 1 18 A H 16944 1 13 DHN . 1 1 19 19 SER N N 15 . . 1 1 19 19 SER H H 1 . -9.056 . . 1.5 . . . 1 19 S N 1 19 S H 16944 1 14 DHN . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . -6.685 . . 1.5 . . . 1 21 S N 1 21 S H 16944 1 15 DHN . 1 1 23 23 LYS N N 15 . . 1 1 23 23 LYS H H 1 . -7.807 . . 1.5 . . . 1 23 K N 1 23 K H 16944 1 16 DHN . 1 1 24 24 VAL N N 15 . . 1 1 24 24 VAL H H 1 . 11.081 . . 1.5 . . . 1 24 V N 1 24 V H 16944 1 17 DHN . 1 1 25 25 ILE N N 15 . . 1 1 25 25 ILE H H 1 . 9.229 . . 1.5 . . . 1 25 I N 1 25 I H 16944 1 18 DHN . 1 1 27 27 SER N N 15 . . 1 1 27 27 SER H H 1 . -9.07 . . 1.5 . . . 1 27 S N 1 27 S H 16944 1 19 DHN . 1 1 28 28 LEU N N 15 . . 1 1 28 28 LEU H H 1 . -8.896 . . 1.5 . . . 1 28 L N 1 28 L H 16944 1 20 DHN . 1 1 29 29 SER N N 15 . . 1 1 29 29 SER H H 1 . -8.914 . . 1.5 . . . 1 29 S N 1 29 S H 16944 1 21 DHN . 1 1 30 30 GLY N N 15 . . 1 1 30 30 GLY H H 1 . -0.627 . . 1.5 . . . 1 30 G N 1 30 G H 16944 1 22 DHN . 1 1 31 31 ASN N N 15 . . 1 1 31 31 ASN H H 1 . -8.779 . . 1.5 . . . 1 31 N N 1 31 N H 16944 1 23 DHN . 1 1 32 32 THR N N 15 . . 1 1 32 32 THR H H 1 . 7.139 . . 1.5 . . . 1 32 T N 1 32 T H 16944 1 24 DHN . 1 1 33 33 LYS N N 15 . . 1 1 33 33 LYS H H 1 . -8.765 . . 1.5 . . . 1 33 K N 1 33 K H 16944 1 25 DHN . 1 1 34 34 VAL N N 15 . . 1 1 34 34 VAL H H 1 . 3.776 . . 1.5 . . . 1 34 V N 1 34 V H 16944 1 26 DHN . 1 1 35 35 THR N N 15 . . 1 1 35 35 THR H H 1 . -2.784 . . 1.5 . . . 1 35 T N 1 35 T H 16944 1 27 DHN . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H H 1 . -5.163 . . 1.5 . . . 1 36 I N 1 36 I H 16944 1 28 DHN . 1 1 37 37 VAL N N 15 . . 1 1 37 37 VAL H H 1 . 6.985 . . 1.5 . . . 1 37 V N 1 37 V H 16944 1 29 DHN . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . 15.586 . . 1.5 . . . 1 38 G N 1 38 G H 16944 1 30 DHN . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . -10.975 . . 1.5 . . . 1 39 E N 1 39 E H 16944 1 31 DHN . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . -12.004 . . 1.5 . . . 1 40 E N 1 40 E H 16944 1 32 DHN . 1 1 41 41 GLY N N 15 . . 1 1 41 41 GLY H H 1 . -5.988 . . 1.5 . . . 1 41 G N 1 41 G H 16944 1 33 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . 20.142 . . 1.5 . . . 1 42 A N 1 42 A H 16944 1 34 DHN . 1 1 43 43 PHE N N 15 . . 1 1 43 43 PHE H H 1 . -10.138 . . 1.5 . . . 1 43 F N 1 43 F H 16944 1 35 DHN . 1 1 44 44 TYR N N 15 . . 1 1 44 44 TYR H H 1 . -7.487 . . 1.5 . . . 1 44 Y N 1 44 Y H 16944 1 36 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . 9.092 . . 1.5 . . . 1 45 K N 1 45 K H 16944 1 37 DHN . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 20.000 . . 1.5 . . . 1 46 I N 1 46 I H 16944 1 38 DHN . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . 12.345 . . 1.5 . . . 1 49 K N 1 49 K H 16944 1 39 DHN . 1 1 51 51 SER N N 15 . . 1 1 51 51 SER H H 1 . -10.757 . . 1.5 . . . 1 51 S N 1 51 S H 16944 1 40 DHN . 1 1 52 52 HIS N N 15 . . 1 1 52 52 HIS H H 1 . 17.32 . . 1.5 . . . 1 52 H N 1 52 H H 16944 1 41 DHN . 1 1 53 53 GLY N N 15 . . 1 1 53 53 GLY H H 1 . 21.188 . . 1.5 . . . 1 53 G N 1 53 G H 16944 1 42 DHN . 1 1 55 55 VAL N N 15 . . 1 1 55 55 VAL H H 1 . 3.196 . . 1.5 . . . 1 55 V N 1 55 V H 16944 1 43 DHN . 1 1 56 56 ALA N N 15 . . 1 1 56 56 ALA H H 1 . 2.051 . . 1.5 . . . 1 56 A N 1 56 A H 16944 1 44 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . -0.64 . . 1.5 . . . 1 57 K N 1 57 K H 16944 1 45 DHN . 1 1 58 58 GLU N N 15 . . 1 1 58 58 GLU H H 1 . 13.911 . . 1.5 . . . 1 58 E N 1 58 E H 16944 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_GEL _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode GEL _RDC_list.Entry_ID 16944 _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 600 _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 15 NH-J-modulation . . . 16944 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 5 $NMRDraw . . 16944 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 3 3 THR N N 15 . . 1 1 3 3 THR H H 1 . -5.475 . . 1.5 . . . 1 3 T N 1 3 T H 16944 2 2 DHN . 1 1 4 4 GLY N N 15 . . 1 1 4 4 GLY H H 1 . 3.072 . . 1.5 . . . 1 4 G N 1 4 G H 16944 2 3 DHN . 1 1 5 5 ILE N N 15 . . 1 1 5 5 ILE H H 1 . 5.084 . . 1.5 . . . 1 5 I N 1 5 I H 16944 2 4 DHN . 1 1 6 6 VAL N N 15 . . 1 1 6 6 VAL H H 1 . 6.401 . . 1.5 . . . 1 6 V N 1 6 V H 16944 2 5 DHN . 1 1 7 7 ASN N N 15 . . 1 1 7 7 ASN H H 1 . -1.582 . . 1.5 . . . 1 7 N N 1 7 N H 16944 2 6 DHN . 1 1 10 10 SER N N 15 . . 1 1 10 10 SER H H 1 . 0.38 . . 1.5 . . . 1 10 S N 1 10 S H 16944 2 7 DHN . 1 1 11 11 SER N N 15 . . 1 1 11 11 SER H H 1 . 0.631 . . 1.5 . . . 1 11 S N 1 11 S H 16944 2 8 DHN . 1 1 12 12 LEU N N 15 . . 1 1 12 12 LEU H H 1 . 2.666 . . 1.5 . . . 1 12 L N 1 12 L H 16944 2 9 DHN . 1 1 13 13 ASN N N 15 . . 1 1 13 13 ASN H H 1 . 8.77 . . 1.5 . . . 1 13 N N 1 13 N H 16944 2 10 DHN . 1 1 14 14 VAL N N 15 . . 1 1 14 14 VAL H H 1 . -1.836 . . 1.5 . . . 1 14 V N 1 14 V H 16944 2 11 DHN . 1 1 15 15 ARG N N 15 . . 1 1 15 15 ARG H H 1 . -7.428 . . 1.5 . . . 1 15 R N 1 15 R H 16944 2 12 DHN . 1 1 16 16 SER N N 15 . . 1 1 16 16 SER H H 1 . -6.405 . . 1.5 . . . 1 16 S N 1 16 S H 16944 2 13 DHN . 1 1 17 17 SER N N 15 . . 1 1 17 17 SER H H 1 . 7.233 . . 1.5 . . . 1 17 S N 1 17 S H 16944 2 14 DHN . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H H 1 . 6.45 . . 1.5 . . . 1 18 A N 1 18 A H 16944 2 15 DHN . 1 1 19 19 SER N N 15 . . 1 1 19 19 SER H H 1 . 2.603 . . 1.5 . . . 1 19 S N 1 19 S H 16944 2 16 DHN . 1 1 21 21 SER N N 15 . . 1 1 21 21 SER H H 1 . -0.269 . . 1.5 . . . 1 21 S N 1 21 S H 16944 2 17 DHN . 1 1 22 22 SER N N 15 . . 1 1 22 22 SER H H 1 . -5.062 . . 1.5 . . . 1 22 S N 1 22 S H 16944 2 18 DHN . 1 1 23 23 LYS N N 15 . . 1 1 23 23 LYS H H 1 . 5.277 . . 1.5 . . . 1 23 K N 1 23 K H 16944 2 19 DHN . 1 1 24 24 VAL N N 15 . . 1 1 24 24 VAL H H 1 . -7.172 . . 1.5 . . . 1 24 V N 1 24 V H 16944 2 20 DHN . 1 1 25 25 ILE N N 15 . . 1 1 25 25 ILE H H 1 . -4.064 . . 1.5 . . . 1 25 I N 1 25 I H 16944 2 21 DHN . 1 1 27 27 SER N N 15 . . 1 1 27 27 SER H H 1 . 5.266 . . 1.5 . . . 1 27 S N 1 27 S H 16944 2 22 DHN . 1 1 28 28 LEU N N 15 . . 1 1 28 28 LEU H H 1 . 4.288 . . 1.5 . . . 1 28 L N 1 28 L H 16944 2 23 DHN . 1 1 29 29 SER N N 15 . . 1 1 29 29 SER H H 1 . 9.037 . . 1.5 . . . 1 29 S N 1 29 S H 16944 2 24 DHN . 1 1 30 30 GLY N N 15 . . 1 1 30 30 GLY H H 1 . -2.033 . . 1.5 . . . 1 30 G N 1 30 G H 16944 2 25 DHN . 1 1 31 31 ASN N N 15 . . 1 1 31 31 ASN H H 1 . 1.35 . . 1.5 . . . 1 31 N N 1 31 N H 16944 2 26 DHN . 1 1 32 32 THR N N 15 . . 1 1 32 32 THR H H 1 . -5.684 . . 1.5 . . . 1 32 T N 1 32 T H 16944 2 27 DHN . 1 1 33 33 LYS N N 15 . . 1 1 33 33 LYS H H 1 . 2.765 . . 1.5 . . . 1 33 K N 1 33 K H 16944 2 28 DHN . 1 1 34 34 VAL N N 15 . . 1 1 34 34 VAL H H 1 . 2.471 . . 1.5 . . . 1 34 V N 1 34 V H 16944 2 29 DHN . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H H 1 . 4.289 . . 1.5 . . . 1 36 I N 1 36 I H 16944 2 30 DHN . 1 1 37 37 VAL N N 15 . . 1 1 37 37 VAL H H 1 . -2.803 . . 1.5 . . . 1 37 V N 1 37 V H 16944 2 31 DHN . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . -5.6 . . 1.5 . . . 1 38 G N 1 38 G H 16944 2 32 DHN . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . 2.625 . . 1.5 . . . 1 39 E N 1 39 E H 16944 2 33 DHN . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . 3.334 . . 1.5 . . . 1 40 E N 1 40 E H 16944 2 34 DHN . 1 1 41 41 GLY N N 15 . . 1 1 41 41 GLY H H 1 . -1.383 . . 1.5 . . . 1 41 G N 1 41 G H 16944 2 35 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -11.275 . . 1.5 . . . 1 42 A N 1 42 A H 16944 2 36 DHN . 1 1 43 43 PHE N N 15 . . 1 1 43 43 PHE H H 1 . 2.085 . . 1.5 . . . 1 43 F N 1 43 F H 16944 2 37 DHN . 1 1 44 44 TYR N N 15 . . 1 1 44 44 TYR H H 1 . 0.085 . . 1.5 . . . 1 44 Y N 1 44 Y H 16944 2 38 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . -6.721 . . 1.5 . . . 1 45 K N 1 45 K H 16944 2 39 DHN . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . -11.58 . . 1.5 . . . 1 46 I N 1 46 I H 16944 2 40 DHN . 1 1 47 47 GLU N N 15 . . 1 1 47 47 GLU H H 1 . -5.937 . . 1.5 . . . 1 47 E N 1 47 E H 16944 2 41 DHN . 1 1 48 48 TYR N N 15 . . 1 1 48 48 TYR H H 1 . -11.021 . . 1.5 . . . 1 48 Y N 1 48 Y H 16944 2 42 DHN . 1 1 49 49 LYS N N 15 . . 1 1 49 49 LYS H H 1 . -8.658 . . 1.5 . . . 1 49 K N 1 49 K H 16944 2 43 DHN . 1 1 51 51 SER N N 15 . . 1 1 51 51 SER H H 1 . 7.258 . . 1.5 . . . 1 51 S N 1 51 S H 16944 2 44 DHN . 1 1 52 52 HIS N N 15 . . 1 1 52 52 HIS H H 1 . -8.751 . . 1.5 . . . 1 52 H N 1 52 H H 16944 2 45 DHN . 1 1 53 53 GLY N N 15 . . 1 1 53 53 GLY H H 1 . -11.344 . . 1.5 . . . 1 53 G N 1 53 G H 16944 2 46 DHN . 1 1 55 55 VAL N N 15 . . 1 1 55 55 VAL H H 1 . -4.777 . . 1.5 . . . 1 55 V N 1 55 V H 16944 2 47 DHN . 1 1 56 56 ALA N N 15 . . 1 1 56 56 ALA H H 1 . -4.249 . . 1.5 . . . 1 56 A N 1 56 A H 16944 2 48 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . -3.425 . . 1.5 . . . 1 57 K N 1 57 K H 16944 2 49 DHN . 1 1 58 58 GLU N N 15 . . 1 1 58 58 GLU H H 1 . -9.607 . . 1.5 . . . 1 58 E N 1 58 E H 16944 2 50 DHN . 1 1 59 59 TYR N N 15 . . 1 1 59 59 TYR H H 1 . 2.36 . . 1.5 . . . 1 59 Y N 1 59 Y H 16944 2 stop_ save_