################################ # Residual dipolar couplings # ################################ save_NH_Phage _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_Phage _RDC_list.Entry_ID 17723 _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 'NH J-Modulation' . . . 17723 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 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -10.5334 . . 1.5 . . . 1 5 L N 1 5 L H 17723 1 2 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . 4.5578 . . 1.5 . . . 1 6 I N 1 6 I H 17723 1 3 DNH . 1 1 7 7 ALA N N 15 . . 1 1 7 7 ALA H H 1 . -10.679 . . 1.5 . . . 1 7 A N 1 7 A H 17723 1 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -3.3186 . . 1.5 . . . 1 8 Q N 1 8 Q H 17723 1 5 DNH . 1 1 10 10 LYS N N 15 . . 1 1 10 10 LYS H H 1 . -5.66590000000001 . . 1.5 . . . 1 10 K N 1 10 K H 17723 1 6 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H H 1 . -4.3754 . . 1.5 . . . 1 12 V N 1 12 V H 17723 1 7 DNH . 1 1 13 13 ILE N N 15 . . 1 1 13 13 ILE H H 1 . 2.1729 . . 1.5 . . . 1 13 I N 1 13 I H 17723 1 8 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -4.6276 . . 1.5 . . . 1 14 N N 1 14 N H 17723 1 9 DNH . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE H H 1 . -12.968 . . 1.5 . . . 1 17 I N 1 17 I H 17723 1 10 DNH . 1 1 18 18 GLU N N 15 . . 1 1 18 18 GLU H H 1 . -18.22 . . 1.5 . . . 1 18 E N 1 18 E H 17723 1 11 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -15.6028 . . 1.5 . . . 1 20 V N 1 20 V H 17723 1 12 DNH . 1 1 21 21 TRP N N 15 . . 1 1 21 21 TRP H H 1 . -18.9441 . . 1.5 . . . 1 21 W N 1 21 W H 17723 1 13 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . -20.9008 . . 1.5 . . . 1 22 E N 1 22 E H 17723 1 14 DNH . 1 1 23 23 ALA N N 15 . . 1 1 23 23 ALA H H 1 . -17.9732 . . 1.5 . . . 1 23 A N 1 23 A H 17723 1 15 DNH . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -14.2926 . . 1.5 . . . 1 24 L N 1 24 L H 17723 1 16 DNH . 1 1 25 25 VAL N N 15 . . 1 1 25 25 VAL H H 1 . -16.0537 . . 1.5 . . . 1 25 V N 1 25 V H 17723 1 17 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . 2.5526 . . 1.5 . . . 1 29 I N 1 29 I H 17723 1 18 DNH . 1 1 37 37 THR N N 15 . . 1 1 37 37 THR H H 1 . -13.7724 . . 1.5 . . . 1 37 T N 1 37 T H 17723 1 19 DNH . 1 1 38 38 THR N N 15 . . 1 1 38 38 THR H H 1 . -11.3447 . . 1.5 . . . 1 38 T N 1 38 T H 17723 1 20 DNH . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL H H 1 . 10.0095 . . 1.5 . . . 1 40 V N 1 40 V H 17723 1 21 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 15.3477 . . 1.5 . . . 1 41 S N 1 41 S H 17723 1 22 DNH . 1 1 43 43 TRP N N 15 . . 1 1 43 43 TRP H H 1 . -12.758 . . 1.5 . . . 1 43 W N 1 43 W H 17723 1 23 DNH . 1 1 44 44 LYS N N 15 . . 1 1 44 44 LYS H H 1 . -13.6726 . . 1.5 . . . 1 44 K N 1 44 K H 17723 1 24 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . -12.4965 . . 1.5 . . . 1 45 E N 1 45 E H 17723 1 25 DNH . 1 1 47 47 SER N N 15 . . 1 1 47 47 SER H H 1 . -20.678 . . 1.5 . . . 1 47 S N 1 47 S H 17723 1 26 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 14.5135 . . 1.5 . . . 1 49 I N 1 49 I H 17723 1 27 DNH . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 9.79170000000001 . . 1.5 . . . 1 50 V N 1 50 V H 17723 1 28 DNH . 1 1 51 51 TRP N N 15 . . 1 1 51 51 TRP H H 1 . 4.2149 . . 1.5 . . . 1 51 W N 1 51 W H 17723 1 29 DNH . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . -3.4432 . . 1.5 . . . 1 52 K N 1 52 K H 17723 1 30 DNH . 1 1 54 54 GLU N N 15 . . 1 1 54 54 GLU H H 1 . -16.9453 . . 1.5 . . . 1 54 E N 1 54 E H 17723 1 31 DNH . 1 1 55 55 TRP N N 15 . . 1 1 55 55 TRP H H 1 . -15.2455 . . 1.5 . . . 1 55 W N 1 55 W H 17723 1 32 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . -16.9028 . . 1.5 . . . 1 56 K N 1 56 K H 17723 1 33 DNH . 1 1 57 57 GLY N N 15 . . 1 1 57 57 GLY H H 1 . -15.8691 . . 1.5 . . . 1 57 G N 1 57 G H 17723 1 34 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . 0.356300000000005 . . 1.5 . . . 1 58 K N 1 58 K H 17723 1 35 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -6.2624 . . 1.5 . . . 1 59 A N 1 59 A H 17723 1 36 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . -4.7834 . . 1.5 . . . 1 60 Y N 1 60 Y H 17723 1 37 DNH . 1 1 61 61 GLU N N 15 . . 1 1 61 61 GLU H H 1 . -0.512600000000006 . . 1.5 . . . 1 61 E N 1 61 E H 17723 1 38 DNH . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP H H 1 . 11.5205 . . 1.5 . . . 1 62 D N 1 62 D H 17723 1 39 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 18.8093 . . 1.5 . . . 1 64 G N 1 64 G H 17723 1 40 DNH . 1 1 65 65 THR N N 15 . . 1 1 65 65 THR H H 1 . 9.17930000000001 . . 1.5 . . . 1 65 T N 1 65 T H 17723 1 41 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . 1.0414 . . 1.5 . . . 1 66 I N 1 66 I H 17723 1 42 DNH . 1 1 71 71 GLU N N 15 . . 1 1 71 71 GLU H H 1 . -11.8804 . . 1.5 . . . 1 71 E N 1 71 E H 17723 1 43 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -5.28930000000001 . . 1.5 . . . 1 75 L N 1 75 L H 17723 1 44 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -4.57990000000001 . . 1.5 . . . 1 76 Q N 1 76 Q H 17723 1 45 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -5.2633 . . 1.5 . . . 1 77 Y N 1 77 Y H 17723 1 46 DNH . 1 1 78 78 SER N N 15 . . 1 1 78 78 SER H H 1 . 0.24560000000001 . . 1.5 . . . 1 78 S N 1 78 S H 17723 1 47 DNH . 1 1 79 79 HIS N N 15 . . 1 1 79 79 HIS H H 1 . 21.8214 . . 1.5 . . . 1 79 H N 1 79 H H 17723 1 48 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 19.1012 . . 1.5 . . . 1 80 F N 1 80 F H 17723 1 49 DNH . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . 21.7036 . . 1.5 . . . 1 81 S N 1 81 S H 17723 1 50 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 23.9145 . . 1.5 . . . 1 94 H N 1 94 H H 17723 1 51 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 18.1806 . . 1.5 . . . 1 95 V N 1 95 V H 17723 1 52 DNH . 1 1 96 96 VAL N N 15 . . 1 1 96 96 VAL H H 1 . -2.6178 . . 1.5 . . . 1 96 V N 1 96 V H 17723 1 53 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -7.50450000000001 . . 1.5 . . . 1 98 I N 1 98 I H 17723 1 54 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -4.19330000000001 . . 1.5 . . . 1 99 T N 1 99 T H 17723 1 55 DNH . 1 1 100 100 LEU N N 15 . . 1 1 100 100 LEU H H 1 . -7.1878 . . 1.5 . . . 1 100 L N 1 100 L H 17723 1 56 DNH . 1 1 105 105 LYS N N 15 . . 1 1 105 105 LYS H H 1 . 16.294 . . 1.5 . . . 1 105 K N 1 105 K H 17723 1 57 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -4.0153 . . 1.5 . . . 1 108 E N 1 108 E H 17723 1 58 DNH . 1 1 109 109 VAL N N 15 . . 1 1 109 109 VAL H H 1 . -7.2278 . . 1.5 . . . 1 109 V N 1 109 V H 17723 1 59 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -2.8661 . . 1.5 . . . 1 112 T N 1 112 T H 17723 1 60 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -2.652 . . 1.5 . . . 1 113 Q N 1 113 Q H 17723 1 61 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . 1.905 . . 1.5 . . . 1 114 D N 1 114 D H 17723 1 62 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . 12.4441 . . 1.5 . . . 1 115 N N 1 115 N H 17723 1 63 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 22.8971 . . 1.5 . . . 1 118 T N 1 118 T H 17723 1 64 DNH . 1 1 119 119 GLU N N 15 . . 1 1 119 119 GLU H H 1 . 16.5119 . . 1.5 . . . 1 119 E N 1 119 E H 17723 1 65 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 5.1777 . . 1.5 . . . 1 120 K N 1 120 K H 17723 1 66 DNH . 1 1 121 121 GLU N N 15 . . 1 1 121 121 GLU H H 1 . 18.0907 . . 1.5 . . . 1 121 E N 1 121 E H 17723 1 67 DNH . 1 1 122 122 GLN N N 15 . . 1 1 122 122 GLN H H 1 . 20.9075 . . 1.5 . . . 1 122 Q N 1 122 Q H 17723 1 68 DNH . 1 1 124 124 HIS N N 15 . . 1 1 124 124 HIS H H 1 . 7.9871 . . 1.5 . . . 1 124 H N 1 124 H H 17723 1 69 DNH . 1 1 125 125 SER N N 15 . . 1 1 125 125 SER H H 1 . 23.4081 . . 1.5 . . . 1 125 S N 1 125 S H 17723 1 70 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 17.1609 . . 1.5 . . . 1 126 E N 1 126 E H 17723 1 71 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 13.4698 . . 1.5 . . . 1 128 N N 1 128 N H 17723 1 72 DNH . 1 1 129 129 TRP N N 15 . . 1 1 129 129 TRP H H 1 . 22.5885 . . 1.5 . . . 1 129 W N 1 129 W H 17723 1 73 DNH . 1 1 130 130 ASN N N 15 . . 1 1 130 130 ASN H H 1 . 6.1108 . . 1.5 . . . 1 130 N N 1 130 N H 17723 1 74 DNH . 1 1 132 132 MET N N 15 . . 1 1 132 132 MET H H 1 . 16.2908 . . 1.5 . . . 1 132 M N 1 132 M H 17723 1 75 DNH . 1 1 133 133 LEU N N 15 . . 1 1 133 133 LEU H H 1 . 15.2569 . . 1.5 . . . 1 133 L N 1 133 L H 17723 1 76 DNH . 1 1 134 134 GLU N N 15 . . 1 1 134 134 GLU H H 1 . -2.6705 . . 1.5 . . . 1 134 E N 1 134 E H 17723 1 77 DNH . 1 1 136 136 LEU N N 15 . . 1 1 136 136 LEU H H 1 . 16.461 . . 1.5 . . . 1 136 L N 1 136 L H 17723 1 78 DNH . 1 1 137 137 LYS N N 15 . . 1 1 137 137 LYS H H 1 . 9.7872 . . 1.5 . . . 1 137 K N 1 137 K H 17723 1 79 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 8.6268 . . 1.5 . . . 1 139 F N 1 139 F H 17723 1 80 DNH . 1 1 142 142 ASN N N 15 . . 1 1 142 142 ASN H H 1 . -12.19 . . 1.5 . . . 1 142 N N 1 142 N H 17723 1 81 DNH . 1 1 143 143 LYS N N 15 . . 1 1 143 143 LYS H H 1 . 6.91290000000001 . . 1.5 . . . 1 143 K N 1 143 K H 17723 1 82 DNH . 1 1 144 144 VAL N N 15 . . 1 1 144 144 VAL H H 1 . 5.35 . . 1.5 . . . 1 144 V N 1 144 V H 17723 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NC_Phage _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NC_Phage _RDC_list.Entry_ID 17723 _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 16 'NC J-Modulation' . . . 17723 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 DNC(i-1) . 1 1 7 7 ALA N N 15 . . 1 1 6 6 ILE C C 13 . 2.5565 . . 1.5 . . . 1 7 A N 1 6 I C 17723 2 2 DNC(i-1) . 1 1 11 11 THR N N 15 . . 1 1 10 10 LYS C C 13 . 1.2436 . . 1.5 . . . 1 11 T N 1 10 K C 17723 2 3 DNC(i-1) . 1 1 13 13 ILE N N 15 . . 1 1 12 12 VAL C C 13 . 0.4709 . . 1.5 . . . 1 13 I N 1 12 V C 17723 2 4 DNC(i-1) . 1 1 14 14 ASN N N 15 . . 1 1 13 13 ILE C C 13 . 0.7598 . . 1.5 . . . 1 14 N N 1 13 I C 17723 2 5 DNC(i-1) . 1 1 15 15 ALA N N 15 . . 1 1 14 14 ASN C C 13 . -0.945200000000002 . . 1.5 . . . 1 15 A N 1 14 N C 17723 2 6 DNC(i-1) . 1 1 18 18 GLU N N 15 . . 1 1 17 17 ILE C C 13 . 1.4223 . . 1.5 . . . 1 18 E N 1 17 I C 17723 2 7 DNC(i-1) . 1 1 20 20 VAL N N 15 . . 1 1 19 19 LYS C C 13 . 2.3381 . . 1.5 . . . 1 20 V N 1 19 K C 17723 2 8 DNC(i-1) . 1 1 21 21 TRP N N 15 . . 1 1 20 20 VAL C C 13 . -0.5763 . . 1.5 . . . 1 21 W N 1 20 V C 17723 2 9 DNC(i-1) . 1 1 22 22 GLU N N 15 . . 1 1 21 21 TRP C C 13 . 2.3476 . . 1.5 . . . 1 22 E N 1 21 W C 17723 2 10 DNC(i-1) . 1 1 24 24 LEU N N 15 . . 1 1 23 23 ALA C C 13 . 2.1025 . . 1.5 . . . 1 24 L N 1 23 A C 17723 2 11 DNC(i-1) . 1 1 30 30 ILE N N 15 . . 1 1 29 29 ILE C C 13 . 0.1289 . . 1.5 . . . 1 30 I N 1 29 I C 17723 2 12 DNC(i-1) . 1 1 31 31 LYS N N 15 . . 1 1 30 30 ILE C C 13 . 1.6919 . . 1.5 . . . 1 31 K N 1 30 I C 17723 2 13 DNC(i-1) . 1 1 32 32 GLU N N 15 . . 1 1 31 31 LYS C C 13 . -2.5433 . . 1.5 . . . 1 32 E N 1 31 K C 17723 2 14 DNC(i-1) . 1 1 34 34 MET N N 15 . . 1 1 33 33 TYR C C 13 . -2.0216 . . 1.5 . . . 1 34 M N 1 33 Y C 17723 2 15 DNC(i-1) . 1 1 37 37 THR N N 15 . . 1 1 36 36 GLY C C 13 . 1.2853 . . 1.5 . . . 1 37 T N 1 36 G C 17723 2 16 DNC(i-1) . 1 1 38 38 THR N N 15 . . 1 1 37 37 THR C C 13 . -1.9184 . . 1.5 . . . 1 38 T N 1 37 T C 17723 2 17 DNC(i-1) . 1 1 39 39 VAL N N 15 . . 1 1 38 38 THR C C 13 . -1.3057 . . 1.5 . . . 1 39 V N 1 38 T C 17723 2 18 DNC(i-1) . 1 1 41 41 SER N N 15 . . 1 1 40 40 VAL C C 13 . -1.0956 . . 1.5 . . . 1 41 S N 1 40 V C 17723 2 19 DNC(i-1) . 1 1 43 43 TRP N N 15 . . 1 1 42 42 ASP C C 13 . 1.1701 . . 1.5 . . . 1 43 W N 1 42 D C 17723 2 20 DNC(i-1) . 1 1 45 45 GLU N N 15 . . 1 1 44 44 LYS C C 13 . 1.3173 . . 1.5 . . . 1 45 E N 1 44 K C 17723 2 21 DNC(i-1) . 1 1 48 48 GLN N N 15 . . 1 1 47 47 SER C C 13 . -0.827900000000001 . . 1.5 . . . 1 48 Q N 1 47 S C 17723 2 22 DNC(i-1) . 1 1 50 50 VAL N N 15 . . 1 1 49 49 ILE C C 13 . 2.696 . . 1.5 . . . 1 50 V N 1 49 I C 17723 2 23 DNC(i-1) . 1 1 51 51 TRP N N 15 . . 1 1 50 50 VAL C C 13 . -0.619400000000001 . . 1.5 . . . 1 51 W N 1 50 V C 17723 2 24 DNC(i-1) . 1 1 52 52 LYS N N 15 . . 1 1 51 51 TRP C C 13 . 3.067 . . 1.5 . . . 1 52 K N 1 51 W C 17723 2 25 DNC(i-1) . 1 1 54 54 GLU N N 15 . . 1 1 53 53 GLY C C 13 . -0.894000000000002 . . 1.5 . . . 1 54 E N 1 53 G C 17723 2 26 DNC(i-1) . 1 1 56 56 LYS N N 15 . . 1 1 55 55 TRP C C 13 . -0.4848 . . 1.5 . . . 1 56 K N 1 55 W C 17723 2 27 DNC(i-1) . 1 1 57 57 GLY N N 15 . . 1 1 56 56 LYS C C 13 . 0.9651 . . 1.5 . . . 1 57 G N 1 56 K C 17723 2 28 DNC(i-1) . 1 1 61 61 GLU N N 15 . . 1 1 60 60 TYR C C 13 . 1.4291 . . 1.5 . . . 1 61 E N 1 60 Y C 17723 2 29 DNC(i-1) . 1 1 63 63 LYS N N 15 . . 1 1 62 62 ASP C C 13 . 2.0277 . . 1.5 . . . 1 63 K N 1 62 D C 17723 2 30 DNC(i-1) . 1 1 64 64 GLY N N 15 . . 1 1 63 63 LYS C C 13 . -1.0602 . . 1.5 . . . 1 64 G N 1 63 K C 17723 2 31 DNC(i-1) . 1 1 65 65 THR N N 15 . . 1 1 64 64 GLY C C 13 . 0.2193 . . 1.5 . . . 1 65 T N 1 64 G C 17723 2 32 DNC(i-1) . 1 1 66 66 ILE N N 15 . . 1 1 65 65 THR C C 13 . 0.271000000000001 . . 1.5 . . . 1 66 I N 1 65 T C 17723 2 33 DNC(i-1) . 1 1 67 67 LEU N N 15 . . 1 1 66 66 ILE C C 13 . 0.3454 . . 1.5 . . . 1 67 L N 1 66 I C 17723 2 34 DNC(i-1) . 1 1 69 69 PHE N N 15 . . 1 1 68 68 GLN C C 13 . -0.1066 . . 1.5 . . . 1 69 F N 1 68 Q C 17723 2 35 DNC(i-1) . 1 1 70 70 ASN N N 15 . . 1 1 69 69 PHE C C 13 . -1.7129 . . 1.5 . . . 1 70 N N 1 69 F C 17723 2 36 DNC(i-1) . 1 1 71 71 GLU N N 15 . . 1 1 70 70 ASN C C 13 . 1.5544 . . 1.5 . . . 1 71 E N 1 70 N C 17723 2 37 DNC(i-1) . 1 1 74 74 ILE N N 15 . . 1 1 73 73 SER C C 13 . -2.4684 . . 1.5 . . . 1 74 I N 1 73 S C 17723 2 38 DNC(i-1) . 1 1 75 75 LEU N N 15 . . 1 1 74 74 ILE C C 13 . -0.957800000000001 . . 1.5 . . . 1 75 L N 1 74 I C 17723 2 39 DNC(i-1) . 1 1 76 76 GLN N N 15 . . 1 1 75 75 LEU C C 13 . -1.4925 . . 1.5 . . . 1 76 Q N 1 75 L C 17723 2 40 DNC(i-1) . 1 1 77 77 TYR N N 15 . . 1 1 76 76 GLN C C 13 . -1.0799 . . 1.5 . . . 1 77 Y N 1 76 Q C 17723 2 41 DNC(i-1) . 1 1 78 78 SER N N 15 . . 1 1 77 77 TYR C C 13 . -2.4597 . . 1.5 . . . 1 78 S N 1 77 Y C 17723 2 42 DNC(i-1) . 1 1 79 79 HIS N N 15 . . 1 1 78 78 SER C C 13 . -0.5929 . . 1.5 . . . 1 79 H N 1 78 S C 17723 2 43 DNC(i-1) . 1 1 94 94 HIS N N 15 . . 1 1 93 93 TYR C C 13 . -0.3222 . . 1.5 . . . 1 94 H N 1 93 Y C 17723 2 44 DNC(i-1) . 1 1 95 95 VAL N N 15 . . 1 1 94 94 HIS C C 13 . -0.574400000000001 . . 1.5 . . . 1 95 V N 1 94 H C 17723 2 45 DNC(i-1) . 1 1 96 96 VAL N N 15 . . 1 1 95 95 VAL C C 13 . 2.5259 . . 1.5 . . . 1 96 V N 1 95 V C 17723 2 46 DNC(i-1) . 1 1 98 98 ILE N N 15 . . 1 1 97 97 THR C C 13 . 1.5283 . . 1.5 . . . 1 98 I N 1 97 T C 17723 2 47 DNC(i-1) . 1 1 101 101 THR N N 15 . . 1 1 100 100 LEU C C 13 . -2.0824 . . 1.5 . . . 1 101 T N 1 100 L C 17723 2 48 DNC(i-1) . 1 1 102 102 ALA N N 15 . . 1 1 101 101 THR C C 13 . -0.6746 . . 1.5 . . . 1 102 A N 1 101 T C 17723 2 49 DNC(i-1) . 1 1 105 105 LYS N N 15 . . 1 1 104 104 LYS C C 13 . -0.633300000000002 . . 1.5 . . . 1 105 K N 1 104 K C 17723 2 50 DNC(i-1) . 1 1 107 107 VAL N N 15 . . 1 1 106 106 GLY C C 13 . -2.4914 . . 1.5 . . . 1 107 V N 1 106 G C 17723 2 51 DNC(i-1) . 1 1 109 109 VAL N N 15 . . 1 1 108 108 GLU C C 13 . -1.3194 . . 1.5 . . . 1 109 V N 1 108 E C 17723 2 52 DNC(i-1) . 1 1 111 111 LEU N N 15 . . 1 1 110 110 GLU C C 13 . -1.1562 . . 1.5 . . . 1 111 L N 1 110 E C 17723 2 53 DNC(i-1) . 1 1 113 113 GLN N N 15 . . 1 1 112 112 THR C C 13 . -0.1861 . . 1.5 . . . 1 113 Q N 1 112 T C 17723 2 54 DNC(i-1) . 1 1 118 118 THR N N 15 . . 1 1 117 117 GLU C C 13 . 0.2882 . . 1.5 . . . 1 118 T N 1 117 E C 17723 2 55 DNC(i-1) . 1 1 119 119 GLU N N 15 . . 1 1 118 118 THR C C 13 . -0.8795 . . 1.5 . . . 1 119 E N 1 118 T C 17723 2 56 DNC(i-1) . 1 1 120 120 LYS N N 15 . . 1 1 119 119 GLU C C 13 . -1.4054 . . 1.5 . . . 1 120 K N 1 119 E C 17723 2 57 DNC(i-1) . 1 1 123 123 LYS N N 15 . . 1 1 122 122 GLN C C 13 . -0.787000000000001 . . 1.5 . . . 1 123 K N 1 122 Q C 17723 2 58 DNC(i-1) . 1 1 124 124 HIS N N 15 . . 1 1 123 123 LYS C C 13 . -2.2257 . . 1.5 . . . 1 124 H N 1 123 K C 17723 2 59 DNC(i-1) . 1 1 125 125 SER N N 15 . . 1 1 124 124 HIS C C 13 . 0.318000000000001 . . 1.5 . . . 1 125 S N 1 124 H C 17723 2 60 DNC(i-1) . 1 1 127 127 ASP N N 15 . . 1 1 126 126 GLU C C 13 . -1.0303 . . 1.5 . . . 1 127 D N 1 126 E C 17723 2 61 DNC(i-1) . 1 1 128 128 ASN N N 15 . . 1 1 127 127 ASP C C 13 . -1.918 . . 1.5 . . . 1 128 N N 1 127 D C 17723 2 62 DNC(i-1) . 1 1 129 129 TRP N N 15 . . 1 1 128 128 ASN C C 13 . 1.3376 . . 1.5 . . . 1 129 W N 1 128 N C 17723 2 63 DNC(i-1) . 1 1 130 130 ASN N N 15 . . 1 1 129 129 TRP C C 13 . -0.5068 . . 1.5 . . . 1 130 N N 1 129 W C 17723 2 64 DNC(i-1) . 1 1 131 131 THR N N 15 . . 1 1 130 130 ASN C C 13 . -1.4828 . . 1.5 . . . 1 131 T N 1 130 N C 17723 2 65 DNC(i-1) . 1 1 132 132 MET N N 15 . . 1 1 131 131 THR C C 13 . -0.9255 . . 1.5 . . . 1 132 M N 1 131 T C 17723 2 66 DNC(i-1) . 1 1 133 133 LEU N N 15 . . 1 1 132 132 MET C C 13 . 1.9733 . . 1.5 . . . 1 133 L N 1 132 M C 17723 2 67 DNC(i-1) . 1 1 135 135 GLY N N 15 . . 1 1 134 134 GLU C C 13 . -2.2607 . . 1.5 . . . 1 135 G N 1 134 E C 17723 2 68 DNC(i-1) . 1 1 136 136 LEU N N 15 . . 1 1 135 135 GLY C C 13 . 1.1638 . . 1.5 . . . 1 136 L N 1 135 G C 17723 2 69 DNC(i-1) . 1 1 138 138 LYS N N 15 . . 1 1 137 137 LYS C C 13 . -0.7887 . . 1.5 . . . 1 138 K N 1 137 K C 17723 2 70 DNC(i-1) . 1 1 139 139 PHE N N 15 . . 1 1 138 138 LYS C C 13 . -2.0928 . . 1.5 . . . 1 139 F N 1 138 K C 17723 2 71 DNC(i-1) . 1 1 140 140 LEU N N 15 . . 1 1 139 139 PHE C C 13 . 1.89 . . 1.5 . . . 1 140 L N 1 139 F C 17723 2 72 DNC(i-1) . 1 1 143 143 LYS N N 15 . . 1 1 142 142 ASN C C 13 . -0.790900000000001 . . 1.5 . . . 1 143 K N 1 142 N C 17723 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NH_Peg _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_Peg _RDC_list.Entry_ID 17723 _RDC_list.ID 3 _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' . . . 17723 3 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 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -3.86980000000001 . . 1.5 . . . 1 5 LEU N 1 5 LEU H 17723 3 2 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . -6.3877 . . 1.5 . . . 1 6 ILE N 1 6 ILE H 17723 3 3 DNH . 1 1 7 7 ALA N N 15 . . 1 1 7 7 ALA H H 1 . -9.884 . . 1.5 . . . 1 7 ALA N 1 7 ALA H 17723 3 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -10.1677 . . 1.5 . . . 1 8 GLN N 1 8 GLN H 17723 3 5 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H H 1 . -11.8528 . . 1.5 . . . 1 12 VAL N 1 12 VAL H 17723 3 6 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -11.4763 . . 1.5 . . . 1 14 ASN N 1 14 ASN H 17723 3 7 DNH . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE H H 1 . -3.7867 . . 1.5 . . . 1 17 ILE N 1 17 ILE H 17723 3 8 DNH . 1 1 18 18 GLU N N 15 . . 1 1 18 18 GLU H H 1 . 7.7383 . . 1.5 . . . 1 18 GLU N 1 18 GLU H 17723 3 9 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -3.5744 . . 1.5 . . . 1 20 VAL N 1 20 VAL H 17723 3 10 DNH . 1 1 21 21 TRP N N 15 . . 1 1 21 21 TRP H H 1 . 1.0933 . . 1.5 . . . 1 21 TRP N 1 21 TRP H 17723 3 11 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . 7.4362 . . 1.5 . . . 1 22 GLU N 1 22 GLU H 17723 3 12 DNH . 1 1 28 28 GLU N N 15 . . 1 1 28 28 GLU H H 1 . -11.0181 . . 1.5 . . . 1 28 GLU N 1 28 GLU H 17723 3 13 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . -4.3629 . . 1.5 . . . 1 29 ILE N 1 29 ILE H 17723 3 14 DNH . 1 1 32 32 GLU N N 15 . . 1 1 32 32 GLU H H 1 . -11.226 . . 1.5 . . . 1 32 GLU N 1 32 GLU H 17723 3 15 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL H H 1 . 16.4324 . . 1.5 . . . 1 39 VAL N 1 39 VAL H 17723 3 16 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 16.2562 . . 1.5 . . . 1 41 SER N 1 41 SER H 17723 3 17 DNH . 1 1 46 46 GLY N N 15 . . 1 1 46 46 GLY H H 1 . -11.0105 . . 1.5 . . . 1 46 GLY N 1 46 GLY H 17723 3 18 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 14.3674 . . 1.5 . . . 1 49 ILE N 1 49 ILE H 17723 3 19 DNH . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 13.703 . . 1.5 . . . 1 50 VAL N 1 50 VAL H 17723 3 20 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . 9.32260000000001 . . 1.5 . . . 1 56 LYS N 1 56 LYS H 17723 3 21 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -2.5878 . . 1.5 . . . 1 59 ALA N 1 59 ALA H 17723 3 22 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 17.0851 . . 1.5 . . . 1 60 TYR N 1 60 TYR H 17723 3 23 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 3.7371 . . 1.5 . . . 1 64 GLY N 1 64 GLY H 17723 3 24 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . -7.67540000000001 . . 1.5 . . . 1 66 ILE N 1 66 ILE H 17723 3 25 DNH . 1 1 67 67 LEU N N 15 . . 1 1 67 67 LEU H H 1 . -8.5842 . . 1.5 . . . 1 67 LEU N 1 67 LEU H 17723 3 26 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -8.416 . . 1.5 . . . 1 69 PHE N 1 69 PHE H 17723 3 27 DNH . 1 1 70 70 ASN N N 15 . . 1 1 70 70 ASN H H 1 . -10.7131 . . 1.5 . . . 1 70 ASN N 1 70 ASN H 17723 3 28 DNH . 1 1 71 71 GLU N N 15 . . 1 1 71 71 GLU H H 1 . -11.0624 . . 1.5 . . . 1 71 GLU N 1 71 GLU H 17723 3 29 DNH . 1 1 72 72 ARG N N 15 . . 1 1 72 72 ARG H H 1 . -8.33750000000001 . . 1.5 . . . 1 72 ARG N 1 72 ARG H 17723 3 30 DNH . 1 1 74 74 ILE N N 15 . . 1 1 74 74 ILE H H 1 . -8.0466 . . 1.5 . . . 1 74 ILE N 1 74 ILE H 17723 3 31 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -10.6219 . . 1.5 . . . 1 75 LEU N 1 75 LEU H 17723 3 32 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -8.79260000000001 . . 1.5 . . . 1 76 GLN N 1 76 GLN H 17723 3 33 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -10.7483 . . 1.5 . . . 1 77 TYR N 1 77 TYR H 17723 3 34 DNH . 1 1 78 78 SER N N 15 . . 1 1 78 78 SER H H 1 . -8.3857 . . 1.5 . . . 1 78 SER N 1 78 SER H 17723 3 35 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 2.5051 . . 1.5 . . . 1 80 PHE N 1 80 PHE H 17723 3 36 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 2.8387 . . 1.5 . . . 1 94 HIS N 1 94 HIS H 17723 3 37 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 1.9104 . . 1.5 . . . 1 95 VAL N 1 95 VAL H 17723 3 38 DNH . 1 1 97 97 THR N N 15 . . 1 1 97 97 THR H H 1 . -9.9772 . . 1.5 . . . 1 97 THR N 1 97 THR H 17723 3 39 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -10.3875 . . 1.5 . . . 1 98 ILE N 1 98 ILE H 17723 3 40 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -10.9401 . . 1.5 . . . 1 99 THR N 1 99 THR H 17723 3 41 DNH . 1 1 101 101 THR N N 15 . . 1 1 101 101 THR H H 1 . -12.2112 . . 1.5 . . . 1 101 THR N 1 101 THR H 17723 3 42 DNH . 1 1 104 104 LYS N N 15 . . 1 1 104 104 LYS H H 1 . 2.62910000000001 . . 1.5 . . . 1 104 LYS N 1 104 LYS H 17723 3 43 DNH . 1 1 105 105 LYS N N 15 . . 1 1 105 105 LYS H H 1 . 8.8586 . . 1.5 . . . 1 105 LYS N 1 105 LYS H 17723 3 44 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -12.1526 . . 1.5 . . . 1 108 GLU N 1 108 GLU H 17723 3 45 DNH . 1 1 109 109 VAL N N 15 . . 1 1 109 109 VAL H H 1 . -10.3638 . . 1.5 . . . 1 109 VAL N 1 109 VAL H 17723 3 46 DNH . 1 1 110 110 GLU N N 15 . . 1 1 110 110 GLU H H 1 . -11.7157 . . 1.5 . . . 1 110 GLU N 1 110 GLU H 17723 3 47 DNH . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU H H 1 . -10.9879 . . 1.5 . . . 1 111 LEU N 1 111 LEU H 17723 3 48 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -9.4816 . . 1.5 . . . 1 112 THR N 1 112 THR H 17723 3 49 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -9.68690000000001 . . 1.5 . . . 1 113 GLN N 1 113 GLN H 17723 3 50 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . -7.249 . . 1.5 . . . 1 114 ASP N 1 114 ASP H 17723 3 51 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . -6.1644 . . 1.5 . . . 1 115 ASN N 1 115 ASN H 17723 3 52 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 10.4025 . . 1.5 . . . 1 118 THR N 1 118 THR H 17723 3 53 DNH . 1 1 119 119 GLU N N 15 . . 1 1 119 119 GLU H H 1 . 11.8617 . . 1.5 . . . 1 119 GLU N 1 119 GLU H 17723 3 54 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 17.0794 . . 1.5 . . . 1 120 LYS N 1 120 LYS H 17723 3 55 DNH . 1 1 121 121 GLU N N 15 . . 1 1 121 121 GLU H H 1 . 15.6462 . . 1.5 . . . 1 121 GLU N 1 121 GLU H 17723 3 56 DNH . 1 1 123 123 LYS N N 15 . . 1 1 123 123 LYS H H 1 . 14.864 . . 1.5 . . . 1 123 LYS N 1 123 LYS H 17723 3 57 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 12.4183 . . 1.5 . . . 1 126 GLU N 1 126 GLU H 17723 3 58 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 16.4379 . . 1.5 . . . 1 128 ASN N 1 128 ASN H 17723 3 59 DNH . 1 1 130 130 ASN N N 15 . . 1 1 130 130 ASN H H 1 . 11.1759 . . 1.5 . . . 1 130 ASN N 1 130 ASN H 17723 3 60 DNH . 1 1 131 131 THR N N 15 . . 1 1 131 131 THR H H 1 . 17.0681 . . 1.5 . . . 1 131 THR N 1 131 THR H 17723 3 61 DNH . 1 1 135 135 GLY N N 15 . . 1 1 135 135 GLY H H 1 . 18.8223 . . 1.5 . . . 1 135 GLY N 1 135 GLY H 17723 3 62 DNH . 1 1 138 138 LYS N N 15 . . 1 1 138 138 LYS H H 1 . 12.3899 . . 1.5 . . . 1 138 LYS N 1 138 LYS H 17723 3 63 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 19.9818 . . 1.5 . . . 1 139 PHE N 1 139 PHE H 17723 3 64 DNH . 1 1 140 140 LEU N N 15 . . 1 1 140 140 LEU H H 1 . 15.8991 . . 1.5 . . . 1 140 LEU N 1 140 LEU H 17723 3 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NC_Peg _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NC_Peg _RDC_list.Entry_ID 17723 _RDC_list.ID 4 _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 17 'NC J-Modulation' . . . 17723 4 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 DNC(i-1) . 1 1 6 6 ILE N N 15 . . 1 1 5 5 LEU C C 13 . 0.816700000000001 . . 1.5 . . . 1 6 I N 1 5 L C 17723 4 2 DNC(i-1) . 1 1 7 7 ALA N N 15 . . 1 1 6 6 ILE C C 13 . 0.2866 . . 1.5 . . . 1 7 A N 1 6 I C 17723 4 3 DNC(i-1) . 1 1 8 8 GLN N N 15 . . 1 1 7 7 ALA C C 13 . 0.1821 . . 1.5 . . . 1 8 Q N 1 7 A C 17723 4 4 DNC(i-1) . 1 1 15 15 ALA N N 15 . . 1 1 14 14 ASN C C 13 . -0.986500000000001 . . 1.5 . . . 1 15 A N 1 14 N C 17723 4 5 DNC(i-1) . 1 1 17 17 ILE N N 15 . . 1 1 16 16 PRO C C 13 . -0.2378 . . 1.5 . . . 1 17 I N 1 16 P C 17723 4 6 DNC(i-1) . 1 1 20 20 VAL N N 15 . . 1 1 19 19 LYS C C 13 . -0.0787000000000013 . . 1.5 . . . 1 20 V N 1 19 K C 17723 4 7 DNC(i-1) . 1 1 21 21 TRP N N 15 . . 1 1 20 20 VAL C C 13 . -1.1004 . . 1.5 . . . 1 21 W N 1 20 V C 17723 4 8 DNC(i-1) . 1 1 22 22 GLU N N 15 . . 1 1 21 21 TRP C C 13 . 1.7878 . . 1.5 . . . 1 22 E N 1 21 W C 17723 4 9 DNC(i-1) . 1 1 28 28 GLU N N 15 . . 1 1 27 27 PRO C C 13 . 1.8184 . . 1.5 . . . 1 28 E N 1 27 P C 17723 4 10 DNC(i-1) . 1 1 29 29 ILE N N 15 . . 1 1 28 28 GLU C C 13 . -0.4476 . . 1.5 . . . 1 29 I N 1 28 E C 17723 4 11 DNC(i-1) . 1 1 34 34 MET N N 15 . . 1 1 33 33 TYR C C 13 . -0.2744 . . 1.5 . . . 1 34 M N 1 33 Y C 17723 4 12 DNC(i-1) . 1 1 40 40 VAL N N 15 . . 1 1 39 39 VAL C C 13 . 1.0368 . . 1.5 . . . 1 40 V N 1 39 V C 17723 4 13 DNC(i-1) . 1 1 45 45 GLU N N 15 . . 1 1 44 44 LYS C C 13 . -0.6313 . . 1.5 . . . 1 45 E N 1 44 K C 17723 4 14 DNC(i-1) . 1 1 49 49 ILE N N 15 . . 1 1 48 48 GLN C C 13 . -1.3321 . . 1.5 . . . 1 49 I N 1 48 Q C 17723 4 15 DNC(i-1) . 1 1 58 58 LYS N N 15 . . 1 1 57 57 GLY C C 13 . -0.212700000000002 . . 1.5 . . . 1 58 K N 1 57 G C 17723 4 16 DNC(i-1) . 1 1 60 60 TYR N N 15 . . 1 1 59 59 ALA C C 13 . -0.6355 . . 1.5 . . . 1 60 Y N 1 59 A C 17723 4 17 DNC(i-1) . 1 1 66 66 ILE N N 15 . . 1 1 65 65 THR C C 13 . 0.5703 . . 1.5 . . . 1 66 I N 1 65 T C 17723 4 18 DNC(i-1) . 1 1 70 70 ASN N N 15 . . 1 1 69 69 PHE C C 13 . -0.3734 . . 1.5 . . . 1 70 N N 1 69 F C 17723 4 19 DNC(i-1) . 1 1 74 74 ILE N N 15 . . 1 1 73 73 SER C C 13 . -0.041500000000001 . . 1.5 . . . 1 74 I N 1 73 S C 17723 4 20 DNC(i-1) . 1 1 75 75 LEU N N 15 . . 1 1 74 74 ILE C C 13 . -1.1578 . . 1.5 . . . 1 75 L N 1 74 I C 17723 4 21 DNC(i-1) . 1 1 77 77 TYR N N 15 . . 1 1 76 76 GLN C C 13 . -0.6248 . . 1.5 . . . 1 77 Y N 1 76 Q C 17723 4 22 DNC(i-1) . 1 1 78 78 SER N N 15 . . 1 1 77 77 TYR C C 13 . 0.5806 . . 1.5 . . . 1 78 S N 1 77 Y C 17723 4 23 DNC(i-1) . 1 1 79 79 HIS N N 15 . . 1 1 78 78 SER C C 13 . -0.871 . . 1.5 . . . 1 79 H N 1 78 S C 17723 4 24 DNC(i-1) . 1 1 94 94 HIS N N 15 . . 1 1 93 93 TYR C C 13 . 1.686 . . 1.5 . . . 1 94 H N 1 93 Y C 17723 4 25 DNC(i-1) . 1 1 96 96 VAL N N 15 . . 1 1 95 95 VAL C C 13 . 1.8712 . . 1.5 . . . 1 96 V N 1 95 V C 17723 4 26 DNC(i-1) . 1 1 98 98 ILE N N 15 . . 1 1 97 97 THR C C 13 . 1.2517 . . 1.5 . . . 1 98 I N 1 97 T C 17723 4 27 DNC(i-1) . 1 1 99 99 THR N N 15 . . 1 1 98 98 ILE C C 13 . -0.6273 . . 1.5 . . . 1 99 T N 1 98 I C 17723 4 28 DNC(i-1) . 1 1 101 101 THR N N 15 . . 1 1 100 100 LEU C C 13 . -0.3216 . . 1.5 . . . 1 101 T N 1 100 L C 17723 4 29 DNC(i-1) . 1 1 102 102 ALA N N 15 . . 1 1 101 101 THR C C 13 . 0.1845 . . 1.5 . . . 1 102 A N 1 101 T C 17723 4 30 DNC(i-1) . 1 1 104 104 LYS N N 15 . . 1 1 103 103 LEU C C 13 . -0.1729 . . 1.5 . . . 1 104 K N 1 103 L C 17723 4 31 DNC(i-1) . 1 1 105 105 LYS N N 15 . . 1 1 104 104 LYS C C 13 . -0.706700000000001 . . 1.5 . . . 1 105 K N 1 104 K C 17723 4 32 DNC(i-1) . 1 1 108 108 GLU N N 15 . . 1 1 107 107 VAL C C 13 . 1.0553 . . 1.5 . . . 1 108 E N 1 107 V C 17723 4 33 DNC(i-1) . 1 1 109 109 VAL N N 15 . . 1 1 108 108 GLU C C 13 . -0.7095 . . 1.5 . . . 1 109 V N 1 108 E C 17723 4 34 DNC(i-1) . 1 1 116 116 ASN N N 15 . . 1 1 115 115 ASN C C 13 . -0.7864 . . 1.5 . . . 1 116 N N 1 115 N C 17723 4 35 DNC(i-1) . 1 1 119 119 GLU N N 15 . . 1 1 118 118 THR C C 13 . -1.0421 . . 1.5 . . . 1 119 E N 1 118 T C 17723 4 36 DNC(i-1) . 1 1 120 120 LYS N N 15 . . 1 1 119 119 GLU C C 13 . -0.4671 . . 1.5 . . . 1 120 K N 1 119 E C 17723 4 37 DNC(i-1) . 1 1 123 123 LYS N N 15 . . 1 1 122 122 GLN C C 13 . -1.414 . . 1.5 . . . 1 123 K N 1 122 Q C 17723 4 38 DNC(i-1) . 1 1 126 126 GLU N N 15 . . 1 1 125 125 SER C C 13 . -0.955 . . 1.5 . . . 1 126 E N 1 125 S C 17723 4 39 DNC(i-1) . 1 1 130 130 ASN N N 15 . . 1 1 129 129 TRP C C 13 . -1.1048 . . 1.5 . . . 1 130 N N 1 129 W C 17723 4 40 DNC(i-1) . 1 1 131 131 THR N N 15 . . 1 1 130 130 ASN C C 13 . -0.621900000000002 . . 1.5 . . . 1 131 T N 1 130 N C 17723 4 41 DNC(i-1) . 1 1 135 135 GLY N N 15 . . 1 1 134 134 GLU C C 13 . -0.3523 . . 1.5 . . . 1 135 G N 1 134 E C 17723 4 42 DNC(i-1) . 1 1 139 139 PHE N N 15 . . 1 1 138 138 LYS C C 13 . -0.2996 . . 1.5 . . . 1 139 F N 1 138 K C 17723 4 43 DNC(i-1) . 1 1 144 144 VAL N N 15 . . 1 1 143 143 LYS C C 13 . -0.2728 . . 1.5 . . . 1 144 V N 1 143 K C 17723 4 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NH_GEL _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_GEL _RDC_list.Entry_ID 17723 _RDC_list.ID 5 _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 'NH RDC of neutral stretch 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 15 'NH J-Modulation' . . . 17723 5 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 4 4 LYS N N 15 . . 1 1 4 4 LYS H H 1 . -11.6813 . . 1.5 . . . 1 4 K N 1 4 K H 17723 5 2 DNH . 1 1 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -2.14150000000001 . . 1.5 . . . 1 5 L N 1 5 L H 17723 5 3 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . -4.66 . . 1.5 . . . 1 6 I N 1 6 I H 17723 5 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -12.1507 . . 1.5 . . . 1 8 Q N 1 8 Q H 17723 5 5 DNH . 1 1 9 9 VAL N N 15 . . 1 1 9 9 VAL H H 1 . -13.8839 . . 1.5 . . . 1 9 V N 1 9 V H 17723 5 6 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -9.00830000000001 . . 1.5 . . . 1 14 N N 1 14 N H 17723 5 7 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . 2.69970000000001 . . 1.5 . . . 1 20 V N 1 20 V H 17723 5 8 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . 17.8346 . . 1.5 . . . 1 22 E N 1 22 E H 17723 5 9 DNH . 1 1 23 23 ALA N N 15 . . 1 1 23 23 ALA H H 1 . 3.452 . . 1.5 . . . 1 23 A N 1 23 A H 17723 5 10 DNH . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -0.491900000000001 . . 1.5 . . . 1 24 L N 1 24 L H 17723 5 11 DNH . 1 1 28 28 GLU N N 15 . . 1 1 28 28 GLU H H 1 . -11.1031 . . 1.5 . . . 1 28 E N 1 28 E H 17723 5 12 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . -11.97 . . 1.5 . . . 1 29 I N 1 29 I H 17723 5 13 DNH . 1 1 30 30 ILE N N 15 . . 1 1 30 30 ILE H H 1 . -16.0993 . . 1.5 . . . 1 30 I N 1 30 I H 17723 5 14 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL H H 1 . 17.403 . . 1.5 . . . 1 39 V N 1 39 V H 17723 5 15 DNH . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL H H 1 . 18.7223 . . 1.5 . . . 1 40 V N 1 40 V H 17723 5 16 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 9.6087 . . 1.5 . . . 1 41 S N 1 41 S H 17723 5 17 DNH . 1 1 43 43 TRP N N 15 . . 1 1 43 43 TRP H H 1 . 3.3207 . . 1.5 . . . 1 43 W N 1 43 W H 17723 5 18 DNH . 1 1 44 44 LYS N N 15 . . 1 1 44 44 LYS H H 1 . 4.9901 . . 1.5 . . . 1 44 K N 1 44 K H 17723 5 19 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . 6.8815 . . 1.5 . . . 1 45 E N 1 45 E H 17723 5 20 DNH . 1 1 48 48 GLN N N 15 . . 1 1 48 48 GLN H H 1 . -8.8526 . . 1.5 . . . 1 48 Q N 1 48 Q H 17723 5 21 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 16.5121 . . 1.5 . . . 1 49 I N 1 49 I H 17723 5 22 DNH . 1 1 54 54 GLU N N 15 . . 1 1 54 54 GLU H H 1 . 9.9496 . . 1.5 . . . 1 54 E N 1 54 E H 17723 5 23 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . 14.0702 . . 1.5 . . . 1 56 K N 1 56 K H 17723 5 24 DNH . 1 1 57 57 GLY N N 15 . . 1 1 57 57 GLY H H 1 . 21.1643 . . 1.5 . . . 1 57 G N 1 57 G H 17723 5 25 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . -4.2056 . . 1.5 . . . 1 58 K N 1 58 K H 17723 5 26 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -0.418500000000009 . . 1.5 . . . 1 59 A N 1 59 A H 17723 5 27 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 15.5312 . . 1.5 . . . 1 60 Y N 1 60 Y H 17723 5 28 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 6.68380000000001 . . 1.5 . . . 1 64 G N 1 64 G H 17723 5 29 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . -6.3814 . . 1.5 . . . 1 66 I N 1 66 I H 17723 5 30 DNH . 1 1 67 67 LEU N N 15 . . 1 1 67 67 LEU H H 1 . -11.7752 . . 1.5 . . . 1 67 L N 1 67 L H 17723 5 31 DNH . 1 1 70 70 ASN N N 15 . . 1 1 70 70 ASN H H 1 . -19.6911 . . 1.5 . . . 1 70 N N 1 70 N H 17723 5 32 DNH . 1 1 72 72 ARG N N 15 . . 1 1 72 72 ARG H H 1 . -8.53150000000001 . . 1.5 . . . 1 72 R N 1 72 R H 17723 5 33 DNH . 1 1 74 74 ILE N N 15 . . 1 1 74 74 ILE H H 1 . -10.0286 . . 1.5 . . . 1 74 I N 1 74 I H 17723 5 34 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -15.8899 . . 1.5 . . . 1 75 L N 1 75 L H 17723 5 35 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -10.9596 . . 1.5 . . . 1 76 Q N 1 76 Q H 17723 5 36 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -14.6823 . . 1.5 . . . 1 77 Y N 1 77 Y H 17723 5 37 DNH . 1 1 79 79 HIS N N 15 . . 1 1 79 79 HIS H H 1 . 4.3245 . . 1.5 . . . 1 79 H N 1 79 H H 17723 5 38 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 5.9836 . . 1.5 . . . 1 80 F N 1 80 F H 17723 5 39 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 3.295 . . 1.5 . . . 1 94 H N 1 94 H H 17723 5 40 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 4.2829 . . 1.5 . . . 1 95 V N 1 95 V H 17723 5 41 DNH . 1 1 96 96 VAL N N 15 . . 1 1 96 96 VAL H H 1 . -5.5506 . . 1.5 . . . 1 96 V N 1 96 V H 17723 5 42 DNH . 1 1 97 97 THR N N 15 . . 1 1 97 97 THR H H 1 . -15.4712 . . 1.5 . . . 1 97 T N 1 97 T H 17723 5 43 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -9.25750000000001 . . 1.5 . . . 1 98 I N 1 98 I H 17723 5 44 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -21.3861 . . 1.5 . . . 1 99 T N 1 99 T H 17723 5 45 DNH . 1 1 100 100 LEU N N 15 . . 1 1 100 100 LEU H H 1 . -9.8848 . . 1.5 . . . 1 100 L N 1 100 L H 17723 5 46 DNH . 1 1 103 103 LEU N N 15 . . 1 1 103 103 LEU H H 1 . -12.8299 . . 1.5 . . . 1 103 L N 1 103 L H 17723 5 47 DNH . 1 1 107 107 VAL N N 15 . . 1 1 107 107 VAL H H 1 . -14.9569 . . 1.5 . . . 1 107 V N 1 107 V H 17723 5 48 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -14.5536 . . 1.5 . . . 1 108 E N 1 108 E H 17723 5 49 DNH . 1 1 110 110 GLU N N 15 . . 1 1 110 110 GLU H H 1 . -13.4587 . . 1.5 . . . 1 110 E N 1 110 E H 17723 5 50 DNH . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU H H 1 . -15.5679 . . 1.5 . . . 1 111 L N 1 111 L H 17723 5 51 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -11.5656 . . 1.5 . . . 1 112 T N 1 112 T H 17723 5 52 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -11.3479 . . 1.5 . . . 1 113 Q N 1 113 Q H 17723 5 53 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . -10.371 . . 1.5 . . . 1 114 D N 1 114 D H 17723 5 54 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . -12.2849 . . 1.5 . . . 1 115 N N 1 115 N H 17723 5 55 DNH . 1 1 117 117 GLU N N 15 . . 1 1 117 117 GLU H H 1 . -3.9303 . . 1.5 . . . 1 117 E N 1 117 E H 17723 5 56 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 13.6846 . . 1.5 . . . 1 118 T N 1 118 T H 17723 5 57 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 14.0696 . . 1.5 . . . 1 120 K N 1 120 K H 17723 5 58 DNH . 1 1 123 123 LYS N N 15 . . 1 1 123 123 LYS H H 1 . 12.6587 . . 1.5 . . . 1 123 K N 1 123 K H 17723 5 59 DNH . 1 1 125 125 SER N N 15 . . 1 1 125 125 SER H H 1 . 9.1472 . . 1.5 . . . 1 125 S N 1 125 S H 17723 5 60 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 13.5757 . . 1.5 . . . 1 126 E N 1 126 E H 17723 5 61 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 15.6616 . . 1.5 . . . 1 128 N N 1 128 N H 17723 5 62 DNH . 1 1 129 129 TRP N N 15 . . 1 1 129 129 TRP H H 1 . 20.7463 . . 1.5 . . . 1 129 W N 1 129 W H 17723 5 63 DNH . 1 1 134 134 GLU N N 15 . . 1 1 134 134 GLU H H 1 . 12.3033 . . 1.5 . . . 1 134 E N 1 134 E H 17723 5 64 DNH . 1 1 136 136 LEU N N 15 . . 1 1 136 136 LEU H H 1 . 8.7244 . . 1.5 . . . 1 136 L N 1 136 L H 17723 5 65 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 15.541 . . 1.5 . . . 1 139 F N 1 139 F H 17723 5 66 DNH . 1 1 140 140 LEU N N 15 . . 1 1 140 140 LEU H H 1 . 21.4031 . . 1.5 . . . 1 140 L N 1 140 L H 17723 5 67 DNH . 1 1 143 143 LYS N N 15 . . 1 1 143 143 LYS H H 1 . 8.1777 . . 1.5 . . . 1 143 K N 1 143 K H 17723 5 stop_ save_