################################ # Residual dipolar couplings # ################################ save_PEG_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode PEG_RDC _RDC_list.Entry_ID 16378 _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 13 '2D 15N HSQCTROSY' . . . 16378 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 6 $NMRDraw . . 16378 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 DNH . 1 1 3 3 GLU N N 15 . . 1 1 3 3 GLU H N 1 . 1.434 . . 1.5 . . . . 3 E N . 3 E H 16378 1 2 DNH . 1 1 4 4 ALA N N 15 . . 1 1 4 4 ALA H N 1 . 3.53 . . 1.5 . . . . 4 A N . 4 A H 16378 1 3 DNH . 1 1 5 5 LYS N N 15 . . 1 1 5 5 LYS H N 1 . 3.206 . . 1.5 . . . . 5 K N . 5 K H 16378 1 4 DNH . 1 1 6 6 GLY N N 15 . . 1 1 6 6 GLY H N 1 . 3.78 . . 1.5 . . . . 6 G N . 6 G H 16378 1 5 DNH . 1 1 9 9 VAL N N 15 . . 1 1 9 9 VAL H N 1 . 2.13 . . 1.5 . . . . 9 V N . 9 V H 16378 1 6 DNH . 1 1 10 10 MET N N 15 . . 1 1 10 10 MET H N 1 . -6.154 . . 1.5 . . . . 10 M N . 10 M H 16378 1 7 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H N 1 . 5.212 . . 1.5 . . . . 12 V N . 12 V H 16378 1 8 DNH . 1 1 13 13 LEU N N 15 . . 1 1 13 13 LEU H N 1 . 10.08 . . 1.5 . . . . 13 L N . 13 L H 16378 1 9 DNH . 1 1 16 16 MET N N 15 . . 1 1 16 16 MET H N 1 . -9.798 . . 1.5 . . . . 16 M N . 16 M H 16378 1 10 DNH . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H N 1 . 5.744 . . 1.5 . . . . 18 A N . 18 A H 16378 1 11 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H N 1 . -11.612 . . 1.5 . . . . 19 A N . 19 A H 16378 1 12 DNH . 1 1 20 20 GLY N N 15 . . 1 1 20 20 GLY H N 1 . -5.574 . . 1.5 . . . . 20 G N . 20 G H 16378 1 13 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H N 1 . 1.878 . . 1.5 . . . . 21 R N . 21 R H 16378 1 14 DNH . 1 1 22 22 LEU N N 15 . . 1 1 22 22 LEU H N 1 . -7.2 . . 1.5 . . . . 22 L N . 22 L H 16378 1 15 DNH . 1 1 23 23 GLU N N 15 . . 1 1 23 23 GLU H N 1 . 3.462 . . 1.5 . . . . 23 E N . 23 E H 16378 1 16 DNH . 1 1 24 24 ALA N N 15 . . 1 1 24 24 ALA H N 1 . 5.212 . . 1.5 . . . . 24 A N . 24 A H 16378 1 17 DNH . 1 1 25 25 GLY N N 15 . . 1 1 25 25 GLY H N 1 . -0.512 . . 1.5 . . . . 25 G N . 25 G H 16378 1 18 DNH . 1 1 27 27 ARG N N 15 . . 1 1 27 27 ARG H N 1 . 1.278 . . 1.5 . . . . 27 R N . 27 R H 16378 1 19 DNH . 1 1 29 29 ALA N N 15 . . 1 1 29 29 ALA H N 1 . 1.426 . . 1.5 . . . . 29 A N . 29 A H 16378 1 20 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H N 1 . 9.258 . . 1.5 . . . . 30 A N . 30 A H 16378 1 21 DNH . 1 1 31 31 ILE N N 15 . . 1 1 31 31 ILE H N 1 . 8.692 . . 1.5 . . . . 31 I N . 31 I H 16378 1 22 DNH . 1 1 32 32 ASP N N 15 . . 1 1 32 32 ASP H N 1 . 8.762 . . 1.5 . . . . 32 D N . 32 D H 16378 1 23 DNH . 1 1 33 33 GLY N N 15 . . 1 1 33 33 GLY H N 1 . 6.13 . . 1.5 . . . . 33 G N . 33 G H 16378 1 24 DNH . 1 1 34 34 GLN N N 15 . . 1 1 34 34 GLN H N 1 . -2.19 . . 1.5 . . . . 34 Q N . 34 Q H 16378 1 25 DNH . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H N 1 . 3.482 . . 1.5 . . . . 36 I N . 36 I H 16378 1 26 DNH . 1 1 37 37 ASN N N 15 . . 1 1 37 37 ASN H N 1 . -8.696 . . 1.5 . . . . 37 N N . 37 N H 16378 1 27 DNH . 1 1 38 38 THR N N 15 . . 1 1 38 38 THR H N 1 . -4.908 . . 1.5 . . . . 38 T N . 38 T H 16378 1 28 DNH . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H N 1 . -12.842 . . 1.5 . . . . 40 E N . 40 E H 16378 1 29 DNH . 1 1 41 41 GLN N N 15 . . 1 1 41 41 GLN H N 1 . -15.386 . . 1.5 . . . . 41 Q N . 41 Q H 16378 1 30 DNH . 1 1 42 42 ILE N N 15 . . 1 1 42 42 ILE H N 1 . -6.37 . . 1.5 . . . . 42 I N . 42 I H 16378 1 31 DNH . 1 1 43 43 VAL N N 15 . . 1 1 43 43 VAL H N 1 . -10.81 . . 1.5 . . . . 43 V N . 43 V H 16378 1 32 DNH . 1 1 44 44 SER N N 15 . . 1 1 44 44 SER H N 1 . -16.788 . . 1.5 . . . . 44 S N . 44 S H 16378 1 33 DNH . 1 1 45 45 TYR N N 15 . . 1 1 45 45 TYR H N 1 . -13.548 . . 1.5 . . . . 45 Y N . 45 Y H 16378 1 34 DNH . 1 1 46 46 VAL N N 15 . . 1 1 46 46 VAL H N 1 . -11.622 . . 1.5 . . . . 46 V N . 46 V H 16378 1 35 DNH . 1 1 50 50 GLN N N 15 . . 1 1 50 50 GLN H N 1 . 6.62 . . 1.5 . . . . 50 Q N . 50 Q H 16378 1 36 DNH . 1 1 51 51 ALA N N 15 . . 1 1 51 51 ALA H N 1 . -2.272 . . 1.5 . . . . 51 A N . 51 A H 16378 1 37 DNH . 1 1 52 52 GLY N N 15 . . 1 1 52 52 GLY H N 1 . -6.318 . . 1.5 . . . . 52 G N . 52 G H 16378 1 38 DNH . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H N 1 . 6.454 . . 1.5 . . . . 53 D N . 53 D H 16378 1 39 DNH . 1 1 55 55 VAL N N 15 . . 1 1 55 55 VAL H N 1 . 11.422 . . 1.5 . . . . 55 V N . 55 V H 16378 1 40 DNH . 1 1 56 56 ARG N N 15 . . 1 1 56 56 ARG H N 1 . 7.164 . . 1.5 . . . . 56 R N . 56 R H 16378 1 41 DNH . 1 1 57 57 VAL N N 15 . . 1 1 57 57 VAL H N 1 . 4.152 . . 1.5 . . . . 57 V N . 57 V H 16378 1 42 DNH . 1 1 58 58 THR N N 15 . . 1 1 58 58 THR H N 1 . 6.372 . . 1.5 . . . . 58 T N . 58 T H 16378 1 43 DNH . 1 1 59 59 PHE N N 15 . . 1 1 59 59 PHE H N 1 . 5.478 . . 1.5 . . . . 59 F N . 59 F H 16378 1 44 DNH . 1 1 60 60 ILE N N 15 . . 1 1 60 60 ILE H N 1 . 4.654 . . 1.5 . . . . 60 I N . 60 I H 16378 1 45 DNH . 1 1 61 61 ARG N N 15 . . 1 1 61 61 ARG H N 1 . 9.004 . . 1.5 . . . . 61 R N . 61 R H 16378 1 46 DNH . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP H N 1 . 7.718 . . 1.5 . . . . 62 D N . 62 D H 16378 1 47 DNH . 1 1 63 63 ARG N N 15 . . 1 1 63 63 ARG H N 1 . 4.18 . . 1.5 . . . . 63 R N . 63 R H 16378 1 48 DNH . 1 1 64 64 LYS N N 15 . . 1 1 64 64 LYS H N 1 . 6.87 . . 1.5 . . . . 64 K N . 64 K H 16378 1 49 DNH . 1 1 65 65 GLN N N 15 . . 1 1 65 65 GLN H N 1 . 1.546 . . 1.5 . . . . 65 Q N . 65 Q H 16378 1 50 DNH . 1 1 67 67 GLU N N 15 . . 1 1 67 67 GLU H N 1 . 6.674 . . 1.5 . . . . 67 E N . 67 E H 16378 1 51 DNH . 1 1 68 68 ALA N N 15 . . 1 1 68 68 ALA H N 1 . 4.642 . . 1.5 . . . . 68 A N . 68 A H 16378 1 52 DNH . 1 1 69 69 GLU N N 15 . . 1 1 69 69 GLU H N 1 . 4.59 . . 1.5 . . . . 69 E N . 69 E H 16378 1 53 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H N 1 . 9.758 . . 1.5 . . . . 70 L N . 70 L H 16378 1 54 DNH . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H N 1 . 9.144 . . 1.5 . . . . 71 V N . 71 V H 16378 1 55 DNH . 1 1 72 72 LEU N N 15 . . 1 1 72 72 LEU H N 1 . 9.928 . . 1.5 . . . . 72 L N . 72 L H 16378 1 56 DNH . 1 1 73 73 LYS N N 15 . . 1 1 73 73 LYS H N 1 . -13.07 . . 1.5 . . . . 73 K N . 73 K H 16378 1 57 DNH . 1 1 75 75 PHE N N 15 . . 1 1 75 75 PHE H N 1 . 6.568 . . 1.5 . . . . 75 F N . 75 F H 16378 1 58 DNH . 1 1 80 80 ASN N N 15 . . 1 1 80 80 ASN H N 1 . 7.758 . . 1.5 . . . . 80 N N . 80 N H 16378 1 59 DNH . 1 1 81 81 GLN N N 15 . . 1 1 81 81 GLN H N 1 . 7.504 . . 1.5 . . . . 81 Q N . 81 Q H 16378 1 60 DNH . 1 1 83 83 GLY N N 15 . . 1 1 83 83 GLY H N 1 . 0.252 . . 1.5 . . . . 83 G N . 83 G H 16378 1 61 DNH . 1 1 85 85 GLY N N 15 . . 1 1 85 85 GLY H N 1 . -12.408 . . 1.5 . . . . 85 G N . 85 G H 16378 1 62 DNH . 1 1 87 87 THR N N 15 . . 1 1 87 87 THR H N 1 . -0.302 . . 1.5 . . . . 87 T N . 87 T H 16378 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_GEL_RDC _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode GEL_RDC _RDC_list.Entry_ID 16378 _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 14 '2D 15N HSQCTROSY' . . . 16378 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 6 $NMRDraw . . 16378 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 DNH . 1 1 3 3 GLU N N 15 . . 1 1 3 3 GLU H N 1 . -0.538 . . 1.5 . . . . 3 E N . 3 E H 16378 2 2 DNH . 1 1 4 4 ALA N N 15 . . 1 1 4 4 ALA H N 1 . -1.382 . . 1.5 . . . . 4 A N . 4 A H 16378 2 3 DNH . 1 1 5 5 LYS N N 15 . . 1 1 5 5 LYS H N 1 . -1.762 . . 1.5 . . . . 5 K N . 5 K H 16378 2 4 DNH . 1 1 6 6 GLY N N 15 . . 1 1 6 6 GLY H N 1 . -4.656 . . 1.5 . . . . 6 G N . 6 G H 16378 2 5 DNH . 1 1 8 8 TYR N N 15 . . 1 1 8 8 TYR H N 1 . 3.878 . . 1.5 . . . . 8 Y N . 8 Y H 16378 2 6 DNH . 1 1 10 10 MET N N 15 . . 1 1 10 10 MET H N 1 . -2.344 . . 1.5 . . . . 10 M N . 10 M H 16378 2 7 DNH . 1 1 11 11 SER N N 15 . . 1 1 11 11 SER H N 1 . -12.2 . . 1.5 . . . . 11 S N . 11 S H 16378 2 8 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H N 1 . -9.048 . . 1.5 . . . . 12 V N . 12 V H 16378 2 9 DNH . 1 1 13 13 LEU N N 15 . . 1 1 13 13 LEU H N 1 . -6.434 . . 1.5 . . . . 13 L N . 13 L H 16378 2 10 DNH . 1 1 16 16 MET N N 15 . . 1 1 16 16 MET H N 1 . -1.818 . . 1.5 . . . . 16 M N . 16 M H 16378 2 11 DNH . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H N 1 . 3.832 . . 1.5 . . . . 18 A N . 18 A H 16378 2 12 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H N 1 . 2.968 . . 1.5 . . . . 19 A N . 19 A H 16378 2 13 DNH . 1 1 20 20 GLY N N 15 . . 1 1 20 20 GLY H N 1 . -3.084 . . 1.5 . . . . 20 G N . 20 G H 16378 2 14 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H N 1 . 2.228 . . 1.5 . . . . 21 R N . 21 R H 16378 2 15 DNH . 1 1 22 22 LEU N N 15 . . 1 1 22 22 LEU H N 1 . 5.514 . . 1.5 . . . . 22 L N . 22 L H 16378 2 16 DNH . 1 1 23 23 GLU N N 15 . . 1 1 23 23 GLU H N 1 . 2.614 . . 1.5 . . . . 23 E N . 23 E H 16378 2 17 DNH . 1 1 24 24 ALA N N 15 . . 1 1 24 24 ALA H N 1 . -0.094 . . 1.5 . . . . 24 A N . 24 A H 16378 2 18 DNH . 1 1 25 25 GLY N N 15 . . 1 1 25 25 GLY H N 1 . 0.19 . . 1.5 . . . . 25 G N . 25 G H 16378 2 19 DNH . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE H N 1 . 0.722 . . 1.5 . . . . 28 I N . 28 I H 16378 2 20 DNH . 1 1 29 29 ALA N N 15 . . 1 1 29 29 ALA H N 1 . -0.188 . . 1.5 . . . . 29 A N . 29 A H 16378 2 21 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H N 1 . -1.85 . . 1.5 . . . . 30 A N . 30 A H 16378 2 22 DNH . 1 1 31 31 ILE N N 15 . . 1 1 31 31 ILE H N 1 . -0.772 . . 1.5 . . . . 31 I N . 31 I H 16378 2 23 DNH . 1 1 32 32 ASP N N 15 . . 1 1 32 32 ASP H N 1 . -4.182 . . 1.5 . . . . 32 D N . 32 D H 16378 2 24 DNH . 1 1 33 33 GLY N N 15 . . 1 1 33 33 GLY H N 1 . -8.732 . . 1.5 . . . . 33 G N . 33 G H 16378 2 25 DNH . 1 1 34 34 GLN N N 15 . . 1 1 34 34 GLN H N 1 . 3.716 . . 1.5 . . . . 34 Q N . 34 Q H 16378 2 26 DNH . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H N 1 . 0.148 . . 1.5 . . . . 36 I N . 36 I H 16378 2 27 DNH . 1 1 37 37 ASN N N 15 . . 1 1 37 37 ASN H N 1 . -4.19 . . 1.5 . . . . 37 N N . 37 N H 16378 2 28 DNH . 1 1 38 38 THR N N 15 . . 1 1 38 38 THR H N 1 . -3.82 . . 1.5 . . . . 38 T N . 38 T H 16378 2 29 DNH . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H N 1 . 3.048 . . 1.5 . . . . 40 E N . 40 E H 16378 2 30 DNH . 1 1 41 41 GLN N N 15 . . 1 1 41 41 GLN H N 1 . 0.236 . . 1.5 . . . . 41 Q N . 41 Q H 16378 2 31 DNH . 1 1 42 42 ILE N N 15 . . 1 1 42 42 ILE H N 1 . -4.918 . . 1.5 . . . . 42 I N . 42 I H 16378 2 32 DNH . 1 1 43 43 VAL N N 15 . . 1 1 43 43 VAL H N 1 . 2.97 . . 1.5 . . . . 43 V N . 43 V H 16378 2 33 DNH . 1 1 44 44 SER N N 15 . . 1 1 44 44 SER H N 1 . 3.614 . . 1.5 . . . . 44 S N . 44 S H 16378 2 34 DNH . 1 1 45 45 TYR N N 15 . . 1 1 45 45 TYR H N 1 . -1.026 . . 1.5 . . . . 45 Y N . 45 Y H 16378 2 35 DNH . 1 1 46 46 VAL N N 15 . . 1 1 46 46 VAL H N 1 . -3.134 . . 1.5 . . . . 46 V N . 46 V H 16378 2 36 DNH . 1 1 51 51 ALA N N 15 . . 1 1 51 51 ALA H N 1 . 3.056 . . 1.5 . . . . 51 A N . 51 A H 16378 2 37 DNH . 1 1 52 52 GLY N N 15 . . 1 1 52 52 GLY H N 1 . -6.75 . . 1.5 . . . . 52 G N . 52 G H 16378 2 38 DNH . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H N 1 . 1.15 . . 1.5 . . . . 53 D N . 53 D H 16378 2 39 DNH . 1 1 55 55 VAL N N 15 . . 1 1 55 55 VAL H N 1 . -5.19 . . 1.5 . . . . 55 V N . 55 V H 16378 2 40 DNH . 1 1 56 56 ARG N N 15 . . 1 1 56 56 ARG H N 1 . -7.306 . . 1.5 . . . . 56 R N . 56 R H 16378 2 41 DNH . 1 1 57 57 VAL N N 15 . . 1 1 57 57 VAL H N 1 . 0.908 . . 1.5 . . . . 57 V N . 57 V H 16378 2 42 DNH . 1 1 58 58 THR N N 15 . . 1 1 58 58 THR H N 1 . 0.03 . . 1.5 . . . . 58 T N . 58 T H 16378 2 43 DNH . 1 1 59 59 PHE N N 15 . . 1 1 59 59 PHE H N 1 . 2.208 . . 1.5 . . . . 59 F N . 59 F H 16378 2 44 DNH . 1 1 60 60 ILE N N 15 . . 1 1 60 60 ILE H N 1 . 1.434 . . 1.5 . . . . 60 I N . 60 I H 16378 2 45 DNH . 1 1 61 61 ARG N N 15 . . 1 1 61 61 ARG H N 1 . -0.022 . . 1.5 . . . . 61 R N . 61 R H 16378 2 46 DNH . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP H N 1 . 2.378 . . 1.5 . . . . 62 D N . 62 D H 16378 2 47 DNH . 1 1 63 63 ARG N N 15 . . 1 1 63 63 ARG H N 1 . 2.616 . . 1.5 . . . . 63 R N . 63 R H 16378 2 48 DNH . 1 1 64 64 LYS N N 15 . . 1 1 64 64 LYS H N 1 . -1.272 . . 1.5 . . . . 64 K N . 64 K H 16378 2 49 DNH . 1 1 65 65 GLN N N 15 . . 1 1 65 65 GLN H N 1 . 4.904 . . 1.5 . . . . 65 Q N . 65 Q H 16378 2 50 DNH . 1 1 66 66 HIS N N 15 . . 1 1 66 66 HIS H N 1 . 1.584 . . 1.5 . . . . 66 H N . 66 H H 16378 2 51 DNH . 1 1 67 67 GLU N N 15 . . 1 1 67 67 GLU H N 1 . 2.174 . . 1.5 . . . . 67 E N . 67 E H 16378 2 52 DNH . 1 1 68 68 ALA N N 15 . . 1 1 68 68 ALA H N 1 . -0.184 . . 1.5 . . . . 68 A N . 68 A H 16378 2 53 DNH . 1 1 69 69 GLU N N 15 . . 1 1 69 69 GLU H N 1 . -2.416 . . 1.5 . . . . 69 E N . 69 E H 16378 2 54 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H N 1 . -0.1 . . 1.5 . . . . 70 L N . 70 L H 16378 2 55 DNH . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H N 1 . -7.898 . . 1.5 . . . . 71 V N . 71 V H 16378 2 56 DNH . 1 1 72 72 LEU N N 15 . . 1 1 72 72 LEU H N 1 . -5.66 . . 1.5 . . . . 72 L N . 72 L H 16378 2 57 DNH . 1 1 73 73 LYS N N 15 . . 1 1 73 73 LYS H N 1 . 0.916 . . 1.5 . . . . 73 K N . 73 K H 16378 2 58 DNH . 1 1 75 75 PHE N N 15 . . 1 1 75 75 PHE H N 1 . -3.12 . . 1.5 . . . . 75 F N . 75 F H 16378 2 59 DNH . 1 1 78 78 HIS N N 15 . . 1 1 78 78 HIS H N 1 . 2.054 . . 1.5 . . . . 78 H N . 78 H H 16378 2 60 DNH . 1 1 80 80 ASN N N 15 . . 1 1 80 80 ASN H N 1 . -0.788 . . 1.5 . . . . 80 N N . 80 N H 16378 2 61 DNH . 1 1 81 81 GLN N N 15 . . 1 1 81 81 GLN H N 1 . -1.972 . . 1.5 . . . . 81 Q N . 81 Q H 16378 2 62 DNH . 1 1 83 83 GLY N N 15 . . 1 1 83 83 GLY H N 1 . 5.17 . . 1.5 . . . . 83 G N . 83 G H 16378 2 63 DNH . 1 1 87 87 THR N N 15 . . 1 1 87 87 THR H N 1 . -4.49 . . 1.5 . . . . 87 T N . 87 T H 16378 2 stop_ save_