################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 50238 _RDC_list.ID 1 _RDC_list.Name RDS_PKIa_FREE_5%_Bicelles _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 850 _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 'RDS measured on 15N-PKIa in 5% DMPC/D7PC bicelles (q = 3.5)' _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 12 RDC . . . 50238 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 1 $software_1 . . 50238 1 2 $software_2 . . 50238 1 3 $software_3 . . 50238 1 4 $software_4 . . 50238 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 1DNH . 1 1 2 2 ASP N N 15 . . 1 1 2 2 ASP H H 1 . 3.02 . . 0.9 . . . . . . . . . . . 50238 1 2 1DNH . 1 1 3 3 VAL N N 15 . . 1 1 3 3 VAL H H 1 . -0.53 . . 0.6 . . . . . . . . . . . 50238 1 3 1DNH . 1 1 4 4 GLU N N 15 . . 1 1 4 4 GLU H H 1 . -2.76 . . 0.6 . . . . . . . . . . . 50238 1 4 1DNH . 1 1 5 5 THR N N 15 . . 1 1 5 5 THR H H 1 . 2.76 . . 1.2 . . . . . . . . . . . 50238 1 5 1DNH . 1 1 6 6 THR N N 15 . . 1 1 6 6 THR H H 1 . 1.72 . . 1.3 . . . . . . . . . . . 50238 1 6 1DNH . 1 1 7 7 TYR N N 15 . . 1 1 7 7 TYR H H 1 . 0.26 . . 1.8 . . . . . . . . . . . 50238 1 7 1DNH . 1 1 8 8 ALA N N 15 . . 1 1 8 8 ALA H H 1 . 2.58 . . 1.8 . . . . . . . . . . . 50238 1 8 1DNH . 1 1 9 9 ASP N N 15 . . 1 1 9 9 ASP H H 1 . 2.24 . . 1.4 . . . . . . . . . . . 50238 1 9 1DNH . 1 1 10 10 PHE N N 15 . . 1 1 10 10 PHE H H 1 . -2.93 . . 1 . . . . . . . . . . . 50238 1 10 1DNH . 1 1 11 11 ILE N N 15 . . 1 1 11 11 ILE H H 1 . -8.53 . . 2.3 . . . . . . . . . . . 50238 1 11 1DNH . 1 1 12 12 ALA N N 15 . . 1 1 12 12 ALA H H 1 . 1.12 . . 1.4 . . . . . . . . . . . 50238 1 12 1DNH . 1 1 13 13 SER N N 15 . . 1 1 13 13 SER H H 1 . 4.14 . . 1.3 . . . . . . . . . . . 50238 1 13 1DNH . 1 1 14 14 GLY N N 15 . . 1 1 14 14 GLY H H 1 . 1.47 . . 2 . . . . . . . . . . . 50238 1 14 1DNH . 1 1 15 15 ARG N N 15 . . 1 1 15 15 ARG H H 1 . 2.24 . . 1.8 . . . . . . . . . . . 50238 1 15 1DNH . 1 1 16 16 THR N N 15 . . 1 1 16 16 THR H H 1 . 4.57 . . 1.7 . . . . . . . . . . . 50238 1 16 1DNH . 1 1 17 17 GLY N N 15 . . 1 1 17 17 GLY H H 1 . -0.52 . . 1.9 . . . . . . . . . . . 50238 1 17 1DNH . 1 1 18 18 ARG N N 15 . . 1 1 18 18 ARG H H 1 . 6.46 . . 1.9 . . . . . . . . . . . 50238 1 18 1DNH . 1 1 19 19 ARG N N 15 . . 1 1 19 19 ARG H H 1 . -2.59 . . 1.8 . . . . . . . . . . . 50238 1 19 1DNH . 1 1 20 20 ASN N N 15 . . 1 1 20 20 ASN H H 1 . 3.27 . . 2.5 . . . . . . . . . . . 50238 1 20 1DNH . 1 1 21 21 ALA N N 15 . . 1 1 21 21 ALA H H 1 . 1.88 . . 2.1 . . . . . . . . . . . 50238 1 21 1DNH . 1 1 22 22 ILE N N 15 . . 1 1 22 22 ILE H H 1 . 4.75 . . 1.9 . . . . . . . . . . . 50238 1 22 1DNH . 1 1 25 25 ILE N N 15 . . 1 1 25 25 ILE H H 1 . -4.92 . . 1.1 . . . . . . . . . . . 50238 1 23 1DNH . 1 1 26 26 LEU N N 15 . . 1 1 26 26 LEU H H 1 . 2.41 . . 2.2 . . . . . . . . . . . 50238 1 24 1DNH . 1 1 27 27 VAL N N 15 . . 1 1 27 27 VAL H H 1 . 8.96 . . 1.1 . . . . . . . . . . . 50238 1 25 1DNH . 1 1 28 28 SER N N 15 . . 1 1 28 28 SER H H 1 . -6.03 . . 1.4 . . . . . . . . . . . 50238 1 26 1DNH . 1 1 29 29 SER N N 15 . . 1 1 29 29 SER H H 1 . 3.62 . . 4.6 . . . . . . . . . . . 50238 1 27 1DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . 10.08 . . 2.1 . . . . . . . . . . . 50238 1 28 1DNH . 1 1 31 31 SER N N 15 . . 1 1 31 31 SER H H 1 . 1.56 . . 1.8 . . . . . . . . . . . 50238 1 29 1DNH . 1 1 32 32 GLY N N 15 . . 1 1 32 32 GLY H H 1 . -1.2 . . 1.8 . . . . . . . . . . . 50238 1 30 1DNH . 1 1 33 33 ASN N N 15 . . 1 1 33 33 ASN H H 1 . 4.74 . . 2.3 . . . . . . . . . . . 50238 1 31 1DNH . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . -1.46 . . 2.4 . . . . . . . . . . . 50238 1 32 1DNH . 1 1 35 35 ASN N N 15 . . 1 1 35 35 ASN H H 1 . 1.55 . . 2 . . . . . . . . . . . 50238 1 33 1DNH . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . 0 . . 1.2 . . . . . . . . . . . 50238 1 34 1DNH . 1 1 37 37 LEU N N 15 . . 1 1 37 37 LEU H H 1 . 0.34 . . 1.7 . . . . . . . . . . . 50238 1 35 1DNH . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . -8.54 . . 1.8 . . . . . . . . . . . 50238 1 36 1DNH . 1 1 39 39 LEU N N 15 . . 1 1 39 39 LEU H H 1 . 0.34 . . 1.4 . . . . . . . . . . . 50238 1 37 1DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . 1.98 . . 1.8 . . . . . . . . . . . 50238 1 38 1DNH . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . -7.92 . . 0.4 . . . . . . . . . . . 50238 1 39 1DNH . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -3.97 . . 1.4 . . . . . . . . . . . 50238 1 40 1DNH . 1 1 43 43 GLY N N 15 . . 1 1 43 43 GLY H H 1 . -4.39 . . 1.7 . . . . . . . . . . . 50238 1 41 1DNH . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . -3.28 . . 1.2 . . . . . . . . . . . 50238 1 42 1DNH . 1 1 45 45 ASP N N 15 . . 1 1 45 45 ASP H H 1 . 5.69 . . 0.3 . . . . . . . . . . . 50238 1 43 1DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . -0.94 . . 0.5 . . . . . . . . . . . 50238 1 44 1DNH . 1 1 47 47 ASN N N 15 . . 1 1 47 47 ASN H H 1 . 0 . . 0.9 . . . . . . . . . . . 50238 1 45 1DNH . 1 1 48 48 LYS N N 15 . . 1 1 48 48 LYS H H 1 . 0 . . 0.9 . . . . . . . . . . . 50238 1 46 1DNH . 1 1 49 49 THR N N 15 . . 1 1 49 49 THR H H 1 . -0.78 . . 0.7 . . . . . . . . . . . 50238 1 47 1DNH . 1 1 50 50 GLU N N 15 . . 1 1 50 50 GLU H H 1 . 0.35 . . 0.5 . . . . . . . . . . . 50238 1 48 1DNH . 1 1 51 51 GLY N N 15 . . 1 1 51 51 GLY H H 1 . -1.12 . . 0.5 . . . . . . . . . . . 50238 1 49 1DNH . 1 1 52 52 GLU N N 15 . . 1 1 52 52 GLU H H 1 . -9.57 . . 1 . . . . . . . . . . . 50238 1 50 1DNH . 1 1 53 53 GLU N N 15 . . 1 1 53 53 GLU H H 1 . -2.16 . . 0.3 . . . . . . . . . . . 50238 1 51 1DNH . 1 1 54 54 ASP N N 15 . . 1 1 54 54 ASP H H 1 . 0.01 . . 0.4 . . . . . . . . . . . 50238 1 52 1DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . -2.06 . . 0.4 . . . . . . . . . . . 50238 1 53 1DNH . 1 1 56 56 GLN N N 15 . . 1 1 56 56 GLN H H 1 . 0.95 . . 0.5 . . . . . . . . . . . 50238 1 54 1DNH . 1 1 57 57 ARG N N 15 . . 1 1 57 57 ARG H H 1 . -3.8 . . 0.7 . . . . . . . . . . . 50238 1 55 1DNH . 1 1 58 58 SER N N 15 . . 1 1 58 58 SER H H 1 . -2.15 . . 1.1 . . . . . . . . . . . 50238 1 56 1DNH . 1 1 59 59 SER N N 15 . . 1 1 59 59 SER H H 1 . -0.18 . . 1.2 . . . . . . . . . . . 50238 1 57 1DNH . 1 1 60 60 THR N N 15 . . 1 1 60 60 THR H H 1 . 5.87 . . 1 . . . . . . . . . . . 50238 1 58 1DNH . 1 1 61 61 GLU N N 15 . . 1 1 61 61 GLU H H 1 . 2.59 . . 0.6 . . . . . . . . . . . 50238 1 59 1DNH . 1 1 62 62 GLN N N 15 . . 1 1 62 62 GLN H H 1 . 4.48 . . 0.6 . . . . . . . . . . . 50238 1 60 1DNH . 1 1 63 63 SER N N 15 . . 1 1 63 63 SER H H 1 . -1.38 . . 0.8 . . . . . . . . . . . 50238 1 61 1DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . -0.08 . . 0.7 . . . . . . . . . . . 50238 1 62 1DNH . 1 1 65 65 GLU N N 15 . . 1 1 65 65 GLU H H 1 . 1.55 . . 0.5 . . . . . . . . . . . 50238 1 63 1DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . -1.29 . . 0.5 . . . . . . . . . . . 50238 1 64 1DNH . 1 1 67 67 GLN N N 15 . . 1 1 67 67 GLN H H 1 . -1.04 . . 0.6 . . . . . . . . . . . 50238 1 65 1DNH . 1 1 68 68 GLY N N 15 . . 1 1 68 68 GLY H H 1 . 1.12 . . 0.6 . . . . . . . . . . . 50238 1 66 1DNH . 1 1 69 69 GLU N N 15 . . 1 1 69 69 GLU H H 1 . -0.68 . . 0.3 . . . . . . . . . . . 50238 1 67 1DNH . 1 1 70 70 ALA N N 15 . . 1 1 70 70 ALA H H 1 . 1.2 . . 0.5 . . . . . . . . . . . 50238 1 68 1DNH . 1 1 71 71 ALA N N 15 . . 1 1 71 71 ALA H H 1 . 1.12 . . 0.4 . . . . . . . . . . . 50238 1 69 1DNH . 1 1 72 72 LYS N N 15 . . 1 1 72 72 LYS H H 1 . 0.26 . . 0.5 . . . . . . . . . . . 50238 1 70 1DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . 0.17 . . 0.8 . . . . . . . . . . . 50238 1 71 1DNH . 1 1 74 74 GLU N N 15 . . 1 1 74 74 GLU H H 1 . 2.33 . . 0.5 . . . . . . . . . . . 50238 1 72 1DNH . 1 1 75 75 SER N N 15 . . 1 1 75 75 SER H H 1 . 1.47 . . 0.2 . . . . . . . . . . . 50238 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_2 _RDC_list.Entry_ID 50238 _RDC_list.ID 2 _RDC_list.Name RDS_PKIa_FREE_strechGel _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 850 _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 'RDS measured on 15N-PKIa in polyacrylamide gel' _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 13 RDC . . . 50238 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 1 $software_1 . . 50238 2 2 $software_2 . . 50238 2 3 $software_3 . . 50238 2 4 $software_4 . . 50238 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 1DNH . 1 1 2 2 ASP N N 15 . . 1 1 2 2 ASP H H 1 . 4.06 . . 0.7 . . . . . . . . . . . 50238 2 2 1DNH . 1 1 3 3 VAL N N 15 . . 1 1 3 3 VAL H H 1 . 2.15 . . 0.3 . . . . . . . . . . . 50238 2 3 1DNH . 1 1 4 4 GLU N N 15 . . 1 1 4 4 GLU H H 1 . 3.19 . . 0.3 . . . . . . . . . . . 50238 2 4 1DNH . 1 1 5 5 THR N N 15 . . 1 1 5 5 THR H H 1 . 1.99 . . 0.6 . . . . . . . . . . . 50238 2 5 1DNH . 1 1 6 6 THR N N 15 . . 1 1 6 6 THR H H 1 . 4.66 . . 0.6 . . . . . . . . . . . 50238 2 6 1DNH . 1 1 7 7 TYR N N 15 . . 1 1 7 7 TYR H H 1 . -0.6 . . 0.6 . . . . . . . . . . . 50238 2 7 1DNH . 1 1 8 8 ALA N N 15 . . 1 1 8 8 ALA H H 1 . -1.03 . . 0.5 . . . . . . . . . . . 50238 2 8 1DNH . 1 1 9 9 ASP N N 15 . . 1 1 9 9 ASP H H 1 . -0.86 . . 0.4 . . . . . . . . . . . 50238 2 9 1DNH . 1 1 10 10 PHE N N 15 . . 1 1 10 10 PHE H H 1 . 2.84 . . 0.3 . . . . . . . . . . . 50238 2 10 1DNH . 1 1 11 11 ILE N N 15 . . 1 1 11 11 ILE H H 1 . 0.95 . . 1.5 . . . . . . . . . . . 50238 2 11 1DNH . 1 1 12 12 ALA N N 15 . . 1 1 12 12 ALA H H 1 . -0.43 . . 0.5 . . . . . . . . . . . 50238 2 12 1DNH . 1 1 13 13 SER N N 15 . . 1 1 13 13 SER H H 1 . 0.09 . . 0.8 . . . . . . . . . . . 50238 2 13 1DNH . 1 1 14 14 GLY N N 15 . . 1 1 14 14 GLY H H 1 . 1.72 . . 1.2 . . . . . . . . . . . 50238 2 14 1DNH . 1 1 15 15 ARG N N 15 . . 1 1 15 15 ARG H H 1 . -0.26 . . 1.2 . . . . . . . . . . . 50238 2 15 1DNH . 1 1 16 16 THR N N 15 . . 1 1 16 16 THR H H 1 . 5 . . 1.2 . . . . . . . . . . . 50238 2 16 1DNH . 1 1 17 17 GLY N N 15 . . 1 1 17 17 GLY H H 1 . 1.72 . . 1.3 . . . . . . . . . . . 50238 2 17 1DNH . 1 1 18 18 ARG N N 15 . . 1 1 18 18 ARG H H 1 . 5.68 . . 1.1 . . . . . . . . . . . 50238 2 18 1DNH . 1 1 19 19 ARG N N 15 . . 1 1 19 19 ARG H H 1 . 2.58 . . 1 . . . . . . . . . . . 50238 2 19 1DNH . 1 1 20 20 ASN N N 15 . . 1 1 20 20 ASN H H 1 . 3.53 . . 1.6 . . . . . . . . . . . 50238 2 20 1DNH . 1 1 21 21 ALA N N 15 . . 1 1 21 21 ALA H H 1 . 3.53 . . 0.8 . . . . . . . . . . . 50238 2 21 1DNH . 1 1 22 22 ILE N N 15 . . 1 1 22 22 ILE H H 1 . 1.98 . . 0.4 . . . . . . . . . . . 50238 2 22 1DNH . 1 1 23 23 HIS N N 15 . . 1 1 23 23 HIS H H 1 . 10 . . 1.1 . . . . . . . . . . . 50238 2 23 1DNH . 1 1 24 24 ASP N N 15 . . 1 1 24 24 ASP H H 1 . 0.25 . . 1 . . . . . . . . . . . 50238 2 24 1DNH . 1 1 25 25 ILE N N 15 . . 1 1 25 25 ILE H H 1 . 1.38 . . 0.2 . . . . . . . . . . . 50238 2 25 1DNH . 1 1 26 26 LEU N N 15 . . 1 1 26 26 LEU H H 1 . 2.06 . . 0.3 . . . . . . . . . . . 50238 2 26 1DNH . 1 1 27 27 VAL N N 15 . . 1 1 27 27 VAL H H 1 . 4.3 . . 0.3 . . . . . . . . . . . 50238 2 27 1DNH . 1 1 28 28 SER N N 15 . . 1 1 28 28 SER H H 1 . -1.65 . . 0.6 . . . . . . . . . . . 50238 2 28 1DNH . 1 1 29 29 SER N N 15 . . 1 1 29 29 SER H H 1 . 3.27 . . 2.1 . . . . . . . . . . . 50238 2 29 1DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . 0.86 . . 1.2 . . . . . . . . . . . 50238 2 30 1DNH . 1 1 31 31 SER N N 15 . . 1 1 31 31 SER H H 1 . 5.17 . . 1 . . . . . . . . . . . 50238 2 31 1DNH . 1 1 32 32 GLY N N 15 . . 1 1 32 32 GLY H H 1 . 1.65 . . 1.1 . . . . . . . . . . . 50238 2 32 1DNH . 1 1 33 33 ASN N N 15 . . 1 1 33 33 ASN H H 1 . 7.5 . . 1.1 . . . . . . . . . . . 50238 2 33 1DNH . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . 1.04 . . 1.5 . . . . . . . . . . . 50238 2 34 1DNH . 1 1 35 35 ASN N N 15 . . 1 1 35 35 ASN H H 1 . -0.86 . . 1.2 . . . . . . . . . . . 50238 2 35 1DNH . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . -3.28 . . 0.4 . . . . . . . . . . . 50238 2 36 1DNH . 1 1 37 37 LEU N N 15 . . 1 1 37 37 LEU H H 1 . -1.81 . . 0.3 . . . . . . . . . . . 50238 2 37 1DNH . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . -1.12 . . 0.3 . . . . . . . . . . . 50238 2 38 1DNH . 1 1 39 39 LEU N N 15 . . 1 1 39 39 LEU H H 1 . -0.09 . . 0.3 . . . . . . . . . . . 50238 2 39 1DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . 2.06 . . 0.5 . . . . . . . . . . . 50238 2 40 1DNH . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . -5.25 . . 0.3 . . . . . . . . . . . 50238 2 41 1DNH . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -2.41 . . 0.4 . . . . . . . . . . . 50238 2 42 1DNH . 1 1 43 43 GLY N N 15 . . 1 1 43 43 GLY H H 1 . 1.72 . . 0.6 . . . . . . . . . . . 50238 2 43 1DNH . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . -2.07 . . 0.3 . . . . . . . . . . . 50238 2 44 1DNH . 1 1 45 45 ASP N N 15 . . 1 1 45 45 ASP H H 1 . 8.62 . . 0.3 . . . . . . . . . . . 50238 2 45 1DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 1.03 . . 0.2 . . . . . . . . . . . 50238 2 46 1DNH . 1 1 47 47 ASN N N 15 . . 1 1 47 47 ASN H H 1 . 8.79 . . 0.6 . . . . . . . . . . . 50238 2 47 1DNH . 1 1 48 48 LYS N N 15 . . 1 1 48 48 LYS H H 1 . 12.75 . . 0.6 . . . . . . . . . . . 50238 2 48 1DNH . 1 1 49 49 THR N N 15 . . 1 1 49 49 THR H H 1 . 6.72 . . 0.6 . . . . . . . . . . . 50238 2 49 1DNH . 1 1 50 50 GLU N N 15 . . 1 1 50 50 GLU H H 1 . 1.72 . . 0.4 . . . . . . . . . . . 50238 2 50 1DNH . 1 1 51 51 GLY N N 15 . . 1 1 51 51 GLY H H 1 . 4.14 . . 0.4 . . . . . . . . . . . 50238 2 51 1DNH . 1 1 52 52 GLU N N 15 . . 1 1 52 52 GLU H H 1 . -5.6 . . 1 . . . . . . . . . . . 50238 2 52 1DNH . 1 1 53 53 GLU N N 15 . . 1 1 53 53 GLU H H 1 . 2.15 . . 0.2 . . . . . . . . . . . 50238 2 53 1DNH . 1 1 54 54 ASP N N 15 . . 1 1 54 54 ASP H H 1 . 3.8 . . 0.3 . . . . . . . . . . . 50238 2 54 1DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . -3.01 . . 0.3 . . . . . . . . . . . 50238 2 55 1DNH . 1 1 56 56 GLN N N 15 . . 1 1 56 56 GLN H H 1 . 2.41 . . 0.5 . . . . . . . . . . . 50238 2 56 1DNH . 1 1 57 57 ARG N N 15 . . 1 1 57 57 ARG H H 1 . -1.81 . . 0.4 . . . . . . . . . . . 50238 2 57 1DNH . 1 1 58 58 SER N N 15 . . 1 1 58 58 SER H H 1 . -1.38 . . 1 . . . . . . . . . . . 50238 2 58 1DNH . 1 1 59 59 SER N N 15 . . 1 1 59 59 SER H H 1 . 6.46 . . 1.1 . . . . . . . . . . . 50238 2 59 1DNH . 1 1 60 60 THR N N 15 . . 1 1 60 60 THR H H 1 . 8.45 . . 1 . . . . . . . . . . . 50238 2 60 1DNH . 1 1 61 61 GLU N N 15 . . 1 1 61 61 GLU H H 1 . 1.04 . . 0.5 . . . . . . . . . . . 50238 2 61 1DNH . 1 1 62 62 GLN N N 15 . . 1 1 62 62 GLN H H 1 . 12.92 . . 0.5 . . . . . . . . . . . 50238 2 62 1DNH . 1 1 63 63 SER N N 15 . . 1 1 63 63 SER H H 1 . 3.53 . . 0.8 . . . . . . . . . . . 50238 2 63 1DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 2.75 . . 0.6 . . . . . . . . . . . 50238 2 64 1DNH . 1 1 65 65 GLU N N 15 . . 1 1 65 65 GLU H H 1 . 4.14 . . 0.4 . . . . . . . . . . . 50238 2 65 1DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . 2.67 . . 0.4 . . . . . . . . . . . 50238 2 66 1DNH . 1 1 67 67 GLN N N 15 . . 1 1 67 67 GLN H H 1 . 1.46 . . 0.5 . . . . . . . . . . . 50238 2 67 1DNH . 1 1 68 68 GLY N N 15 . . 1 1 68 68 GLY H H 1 . 3.36 . . 0.5 . . . . . . . . . . . 50238 2 68 1DNH . 1 1 69 69 GLU N N 15 . . 1 1 69 69 GLU H H 1 . 2.07 . . 0.2 . . . . . . . . . . . 50238 2 69 1DNH . 1 1 70 70 ALA N N 15 . . 1 1 70 70 ALA H H 1 . 3.62 . . 0.4 . . . . . . . . . . . 50238 2 70 1DNH . 1 1 71 71 ALA N N 15 . . 1 1 71 71 ALA H H 1 . 2.58 . . 0.3 . . . . . . . . . . . 50238 2 71 1DNH . 1 1 72 72 LYS N N 15 . . 1 1 72 72 LYS H H 1 . 3.19 . . 0.5 . . . . . . . . . . . 50238 2 72 1DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . 3.44 . . 0.7 . . . . . . . . . . . 50238 2 73 1DNH . 1 1 74 74 GLU N N 15 . . 1 1 74 74 GLU H H 1 . 2.16 . . 0.5 . . . . . . . . . . . 50238 2 74 1DNH . 1 1 75 75 SER N N 15 . . 1 1 75 75 SER H H 1 . 0.86 . . 0.2 . . . . . . . . . . . 50238 2 stop_ save_