################################ # Residual dipolar couplings # ################################ save_peg _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode peg _RDC_list.Entry_ID 16942 _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 'H-N couplings' _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 '2D 1H-15N J-modulated HSQC' . . . 16942 1 17 '2D 1H-15N J-modulated HSQC' . . . 16942 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $CYANA . . 16942 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 H H 1 . . 1 1 4 4 GLY N N 15 . 6.461 . . 4.333 . . 1 85 GLY H 1 85 GLY N . 16942 1 2 DHN . 1 1 5 5 SER H H 1 . . 1 1 5 5 SER N N 15 . 19.526 . . 4.333 . . 1 86 SER H 1 86 SER N . 16942 1 3 DHN . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN N N 15 . 9.190 . . 4.333 . . 1 87 GLN H 1 87 GLN N . 16942 1 4 DHN . 1 1 7 7 VAL H H 1 . . 1 1 7 7 VAL N N 15 . -7.353 . . 4.333 . . 1 88 VAL H 1 88 VAL N . 16942 1 5 DHN . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE N N 15 . -0.282 . . 4.333 . . 1 90 ILE H 1 90 ILE N . 16942 1 6 DHN . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN N N 15 . -2.518 . . 4.333 . . 1 91 ASN H 1 91 ASN N . 16942 1 7 DHN . 1 1 11 11 THR H H 1 . . 1 1 11 11 THR N N 15 . -11.251 . . 4.333 . . 1 92 THR H 1 92 THR N . 16942 1 8 DHN . 1 1 17 17 MET H H 1 . . 1 1 17 17 MET N N 15 . 9.853 . . 4.333 . . 1 98 MET H 1 98 MET N . 16942 1 9 DHN . 1 1 18 18 LYS H H 1 . . 1 1 18 18 LYS N N 15 . 1.800 . . 4.333 . . 1 99 LYS H 1 99 LYS N . 16942 1 10 DHN . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY N N 15 . 1.659 . . 4.333 . . 1 100 GLY H 1 100 GLY N . 16942 1 11 DHN . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . -2.687 . . 4.333 . . 1 102 GLU H 1 102 GLU N . 16942 1 12 DHN . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . -7.407 . . 4.333 . . 1 103 ALA H 1 103 ALA N . 16942 1 13 DHN . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . 5.102 . . 4.333 . . 1 104 THR H 1 104 THR N . 16942 1 14 DHN . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL N N 15 . 10.902 . . 4.333 . . 1 105 VAL H 1 105 VAL N . 16942 1 15 DHN . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR N N 15 . -0.227 . . 4.333 . . 1 106 THR H 1 106 THR N . 16942 1 16 DHN . 1 1 26 26 GLY H H 1 . . 1 1 26 26 GLY N N 15 . -17.369 . . 4.333 . . 1 107 GLY H 1 107 GLY N . 16942 1 17 DHN . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA N N 15 . -16.771 . . 4.333 . . 1 108 ALA H 1 108 ALA N . 16942 1 18 DHN . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP N N 15 . -19.384 . . 4.333 . . 1 110 ASP H 1 110 ASP N . 16942 1 19 DHN . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR N N 15 . -3.563 . . 4.333 . . 1 111 THR H 1 111 THR N . 16942 1 20 DHN . 1 1 31 31 THR H H 1 . . 1 1 31 31 THR N N 15 . -10.362 . . 4.333 . . 1 112 THR H 1 112 THR N . 16942 1 21 DHN . 1 1 32 32 ALA H H 1 . . 1 1 32 32 ALA N N 15 . -11.481 . . 4.333 . . 1 113 ALA H 1 113 ALA N . 16942 1 22 DHN . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR N N 15 . -14.228 . . 4.333 . . 1 114 TYR H 1 114 TYR N . 16942 1 23 DHN . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER N N 15 . 10.121 . . 4.333 . . 1 117 SER H 1 117 SER N . 16942 1 24 DHN . 1 1 37 37 TYR H H 1 . . 1 1 37 37 TYR N N 15 . 9.528 . . 4.333 . . 1 118 TYR H 1 118 TYR N . 16942 1 25 DHN . 1 1 38 38 THR H H 1 . . 1 1 38 38 THR N N 15 . 6.754 . . 4.333 . . 1 119 THR H 1 119 THR N . 16942 1 26 DHN . 1 1 40 40 THR H H 1 . . 1 1 40 40 THR N N 15 . 8.579 . . 4.333 . . 1 121 THR H 1 121 THR N . 16942 1 27 DHN . 1 1 41 41 ASN H H 1 . . 1 1 41 41 ASN N N 15 . 10.788 . . 4.333 . . 1 122 ASN H 1 122 ASN N . 16942 1 28 DHN . 1 1 42 42 GLY H H 1 . . 1 1 42 42 GLY N N 15 . -3.221 . . 4.333 . . 1 123 GLY H 1 123 GLY N . 16942 1 29 DHN . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY N N 15 . -1.670 . . 4.333 . . 1 124 GLY H 1 124 GLY N . 16942 1 30 DHN . 1 1 44 44 GLN H H 1 . . 1 1 44 44 GLN N N 15 . 11.597 . . 4.333 . . 1 125 GLN H 1 125 GLN N . 16942 1 31 DHN . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG N N 15 . -0.828 . . 4.333 . . 1 126 ARG H 1 126 ARG N . 16942 1 32 DHN . 1 1 47 47 ASP H H 1 . . 1 1 47 47 ASP N N 15 . 4.245 . . 4.333 . . 1 128 ASP H 1 128 ASP N . 16942 1 33 DHN . 1 1 48 48 HIS H H 1 . . 1 1 48 48 HIS N N 15 . 22.614 . . 4.333 . . 1 129 HIS H 1 129 HIS N . 16942 1 34 DHN . 1 1 49 49 HIS H H 1 . . 1 1 49 49 HIS N N 15 . 22.522 . . 4.333 . . 1 130 HIS H 1 130 HIS N . 16942 1 35 DHN . 1 1 50 50 LYS H H 1 . . 1 1 50 50 LYS N N 15 . 1.406 . . 4.333 . . 1 131 LYS H 1 131 LYS N . 16942 1 36 DHN . 1 1 51 51 TRP H H 1 . . 1 1 51 51 TRP N N 15 . 8.650 . . 4.333 . . 1 132 TRP H 1 132 TRP N . 16942 1 37 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . -9.729 . . 4.333 . . 1 133 VAL H 1 133 VAL N . 16942 1 38 DHN . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE N N 15 . -11.420 . . 4.333 . . 1 134 ILE H 1 134 ILE N . 16942 1 39 DHN . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN N N 15 . 1.284 . . 4.333 . . 1 135 GLN H 1 135 GLN N . 16942 1 40 DHN . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU N N 15 . 18.746 . . 4.333 . . 1 136 GLU H 1 136 GLU N . 16942 1 41 DHN . 1 1 56 56 GLU H H 1 . . 1 1 56 56 GLU N N 15 . -13.649 . . 4.333 . . 1 137 GLU H 1 137 GLU N . 16942 1 42 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . -4.709 . . 4.333 . . 1 138 ILE H 1 138 ILE N . 16942 1 43 DHN . 1 1 58 58 LYS H H 1 . . 1 1 58 58 LYS N N 15 . -1.302 . . 4.333 . . 1 139 LYS H 1 139 LYS N . 16942 1 44 DHN . 1 1 59 59 ASP H H 1 . . 1 1 59 59 ASP N N 15 . -5.937 . . 4.333 . . 1 140 ASP H 1 140 ASP N . 16942 1 45 DHN . 1 1 60 60 ALA H H 1 . . 1 1 60 60 ALA N N 15 . 4.059 . . 4.333 . . 1 141 ALA H 1 141 ALA N . 16942 1 46 DHN . 1 1 61 61 GLY H H 1 . . 1 1 61 61 GLY N N 15 . -9.579 . . 4.333 . . 1 142 GLY H 1 142 GLY N . 16942 1 47 DHN . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS N N 15 . -3.941 . . 4.333 . . 1 144 LYS H 1 144 LYS N . 16942 1 48 DHN . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . 1.678 . . 4.333 . . 1 145 THR H 1 145 THR N . 16942 1 49 DHN . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU N N 15 . 13.298 . . 4.333 . . 1 146 LEU H 1 146 LEU N . 16942 1 50 DHN . 1 1 66 66 GLN H H 1 . . 1 1 66 66 GLN N N 15 . 14.320 . . 4.333 . . 1 147 GLN H 1 147 GLN N . 16942 1 51 DHN . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY N N 15 . 11.775 . . 4.333 . . 1 149 GLY H 1 149 GLY N . 16942 1 52 DHN . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP N N 15 . 8.580 . . 4.333 . . 1 150 ASP H 1 150 ASP N . 16942 1 53 DHN . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 14.609 . . 4.333 . . 1 151 GLN H 1 151 GLN N . 16942 1 54 DHN . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL N N 15 . -2.613 . . 4.333 . . 1 152 VAL H 1 152 VAL N . 16942 1 55 DHN . 1 1 72 72 ILE H H 1 . . 1 1 72 72 ILE N N 15 . -8.055 . . 4.333 . . 1 153 ILE H 1 153 ILE N . 16942 1 56 DHN . 1 1 74 74 GLU H H 1 . . 1 1 74 74 GLU N N 15 . -8.131 . . 4.333 . . 1 155 GLU H 1 155 GLU N . 16942 1 57 DHN . 1 1 76 76 SER H H 1 . . 1 1 76 76 SER N N 15 . 3.198 . . 4.333 . . 1 157 SER H 1 157 SER N . 16942 1 58 DHN . 1 1 77 77 HIS H H 1 . . 1 1 77 77 HIS N N 15 . 2.418 . . 4.333 . . 1 158 HIS H 1 158 HIS N . 16942 1 59 DHN . 1 1 81 81 MET H H 1 . . 1 1 81 81 MET N N 15 . 15.976 . . 4.333 . . 1 162 MET H 1 162 MET N . 16942 1 60 DHN . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS N N 15 . 9.397 . . 4.333 . . 1 163 LYS H 1 163 LYS N . 16942 1 61 DHN . 1 1 83 83 GLY H H 1 . . 1 1 83 83 GLY N N 15 . -4.061 . . 4.333 . . 1 164 GLY H 1 164 GLY N . 16942 1 62 DHN . 1 1 84 84 ALA H H 1 . . 1 1 84 84 ALA N N 15 . 20.447 . . 4.333 . . 1 165 ALA H 1 165 ALA N . 16942 1 63 DHN . 1 1 85 85 THR H H 1 . . 1 1 85 85 THR N N 15 . -6.551 . . 4.333 . . 1 166 THR H 1 166 THR N . 16942 1 64 DHN . 1 1 86 86 ALA H H 1 . . 1 1 86 86 ALA N N 15 . -8.473 . . 4.333 . . 1 167 ALA H 1 167 ALA N . 16942 1 65 DHN . 1 1 87 87 GLU H H 1 . . 1 1 87 87 GLU N N 15 . 5.967 . . 4.333 . . 1 168 GLU H 1 168 GLU N . 16942 1 66 DHN . 1 1 88 88 ILE H H 1 . . 1 1 88 88 ILE N N 15 . 16.388 . . 4.333 . . 1 169 ILE H 1 169 ILE N . 16942 1 67 DHN . 1 1 89 89 ASP H H 1 . . 1 1 89 89 ASP N N 15 . 2.578 . . 4.333 . . 1 170 ASP H 1 170 ASP N . 16942 1 68 DHN . 1 1 90 90 SER H H 1 . . 1 1 90 90 SER N N 15 . -14.932 . . 4.333 . . 1 171 SER H 1 171 SER N . 16942 1 69 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . -11.730 . . 4.333 . . 1 173 GLU H 1 173 GLU N . 16942 1 70 DHN . 1 1 93 93 LYS H H 1 . . 1 1 93 93 LYS N N 15 . -12.911 . . 4.333 . . 1 174 LYS H 1 174 LYS N . 16942 1 71 DHN . 1 1 95 95 THR H H 1 . . 1 1 95 95 THR N N 15 . -7.257 . . 4.333 . . 1 176 THR H 1 176 THR N . 16942 1 72 DHN . 1 1 96 96 VAL H H 1 . . 1 1 96 96 VAL N N 15 . -11.691 . . 4.333 . . 1 177 VAL H 1 177 VAL N . 16942 1 73 DHN . 1 1 97 97 TYR H H 1 . . 1 1 97 97 TYR N N 15 . -16.792 . . 4.333 . . 1 178 TYR H 1 178 TYR N . 16942 1 74 DHN . 1 1 99 99 VAL H H 1 . . 1 1 99 99 VAL N N 15 . 8.961 . . 4.333 . . 1 180 VAL H 1 180 VAL N . 16942 1 75 DHN . 1 1 100 100 ASP H H 1 . . 1 1 100 100 ASP N N 15 . 5.344 . . 4.333 . . 1 181 ASP H 1 181 ASP N . 16942 1 76 DHN . 1 1 101 101 TYR H H 1 . . 1 1 101 101 TYR N N 15 . 3.126 . . 4.333 . . 1 182 TYR H 1 182 TYR N . 16942 1 77 DHN . 1 1 102 102 THR H H 1 . . 1 1 102 102 THR N N 15 . -4.027 . . 4.333 . . 1 183 THR H 1 183 THR N . 16942 1 78 DHN . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER N N 15 . -14.484 . . 4.333 . . 1 184 SER H 1 184 SER N . 16942 1 79 DHN . 1 1 104 104 THR H H 1 . . 1 1 104 104 THR N N 15 . 10.656 . . 4.333 . . 1 185 THR H 1 185 THR N . 16942 1 80 DHN . 1 1 105 105 THR H H 1 . . 1 1 105 105 THR N N 15 . 6.481 . . 4.333 . . 1 186 THR H 1 186 THR N . 16942 1 81 DHN . 1 1 108 108 GLU H H 1 . . 1 1 108 108 GLU N N 15 . -4.954 . . 4.333 . . 1 189 GLU H 1 189 GLU N . 16942 1 82 DHN . 1 1 110 110 VAL H H 1 . . 1 1 110 110 VAL N N 15 . -2.517 . . 4.333 . . 1 191 VAL H 1 191 VAL N . 16942 1 83 DHN . 1 1 111 111 LYS H H 1 . . 1 1 111 111 LYS N N 15 . 0.017 . . 4.333 . . 1 192 LYS H 1 192 LYS N . 16942 1 84 DHN . 1 1 112 112 ASN H H 1 . . 1 1 112 112 ASN N N 15 . 18.611 . . 4.333 . . 1 193 ASN H 1 193 ASN N . 16942 1 85 DHN . 1 1 113 113 HIS H H 1 . . 1 1 113 113 HIS N N 15 . 23.944 . . 4.333 . . 1 194 HIS H 1 194 HIS N . 16942 1 86 DHN . 1 1 114 114 LYS H H 1 . . 1 1 114 114 LYS N N 15 . -2.933 . . 4.333 . . 1 195 LYS H 1 195 LYS N . 16942 1 87 DHN . 1 1 115 115 TRP H H 1 . . 1 1 115 115 TRP N N 15 . 11.150 . . 4.333 . . 1 196 TRP H 1 196 TRP N . 16942 1 88 DHN . 1 1 116 116 VAL H H 1 . . 1 1 116 116 VAL N N 15 . -14.375 . . 4.333 . . 1 197 VAL H 1 197 VAL N . 16942 1 89 DHN . 1 1 120 120 GLU H H 1 . . 1 1 120 120 GLU N N 15 . -8.050 . . 4.333 . . 1 201 GLU H 1 201 GLU N . 16942 1 90 DHN . 1 1 121 121 LEU H H 1 . . 1 1 121 121 LEU N N 15 . -2.454 . . 4.333 . . 1 202 LEU H 1 202 LEU N . 16942 1 91 DHN . 1 1 122 122 SER H H 1 . . 1 1 122 122 SER N N 15 . -8.115 . . 4.333 . . 1 203 SER H 1 203 SER N . 16942 1 92 DHN . 1 1 123 123 ALA H H 1 . . 1 1 123 123 ALA N N 15 . -9.197 . . 4.333 . . 1 204 ALA H 1 204 ALA N . 16942 1 93 DHN . 1 1 125 125 LEU H H 1 . . 1 1 125 125 LEU N N 15 . -8.925 . . 4.333 . . 1 206 LEU H 1 206 LEU N . 16942 1 94 DHN . 1 1 126 126 GLU H H 1 . . 1 1 126 126 GLU N N 15 . -2.786 . . 4.333 . . 1 207 GLU H 1 207 GLU N . 16942 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_phage _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode phage _RDC_list.Entry_ID 16942 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $sample_conditions_2 _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 'H-N couplings' _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 '2D 1H-15N J-modulated HSQC' . . . 16942 2 18 '2D 1H-15N J-modulated HSQC' . . . 16942 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $CYANA . . 16942 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 VAL H H 1 . . 1 1 3 3 VAL N N 15 . 3.310 . . 3.406 . . 1 84 VAL H 1 84 VAL N . 16942 2 2 DHN . 1 1 4 4 GLY H H 1 . . 1 1 4 4 GLY N N 15 . 7.719 . . 3.406 . . 1 85 GLY H 1 85 GLY N . 16942 2 3 DHN . 1 1 5 5 SER H H 1 . . 1 1 5 5 SER N N 15 . 14.046 . . 3.406 . . 1 86 SER H 1 86 SER N . 16942 2 4 DHN . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN N N 15 . 4.578 . . 3.406 . . 1 87 GLN H 1 87 GLN N . 16942 2 5 DHN . 1 1 7 7 VAL H H 1 . . 1 1 7 7 VAL N N 15 . -13.219 . . 3.406 . . 1 88 VAL H 1 88 VAL N . 16942 2 6 DHN . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE N N 15 . -4.726 . . 3.406 . . 1 90 ILE H 1 90 ILE N . 16942 2 7 DHN . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN N N 15 . 2.301 . . 3.406 . . 1 91 ASN H 1 91 ASN N . 16942 2 8 DHN . 1 1 11 11 THR H H 1 . . 1 1 11 11 THR N N 15 . -5.290 . . 3.406 . . 1 92 THR H 1 92 THR N . 16942 2 9 DHN . 1 1 17 17 MET H H 1 . . 1 1 17 17 MET N N 15 . 11.361 . . 3.406 . . 1 98 MET H 1 98 MET N . 16942 2 10 DHN . 1 1 18 18 LYS H H 1 . . 1 1 18 18 LYS N N 15 . 2.824 . . 3.406 . . 1 99 LYS H 1 99 LYS N . 16942 2 11 DHN . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY N N 15 . 2.713 . . 3.406 . . 1 100 GLY H 1 100 GLY N . 16942 2 12 DHN . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . -4.787 . . 3.406 . . 1 102 GLU H 1 102 GLU N . 16942 2 13 DHN . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . -13.791 . . 3.406 . . 1 103 ALA H 1 103 ALA N . 16942 2 14 DHN . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . -1.778 . . 3.406 . . 1 104 THR H 1 104 THR N . 16942 2 15 DHN . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL N N 15 . 4.475 . . 3.406 . . 1 105 VAL H 1 105 VAL N . 16942 2 16 DHN . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR N N 15 . 6.719 . . 3.406 . . 1 106 THR H 1 106 THR N . 16942 2 17 DHN . 1 1 26 26 GLY H H 1 . . 1 1 26 26 GLY N N 15 . -7.570 . . 3.406 . . 1 107 GLY H 1 107 GLY N . 16942 2 18 DHN . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA N N 15 . -4.939 . . 3.406 . . 1 108 ALA H 1 108 ALA N . 16942 2 19 DHN . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP N N 15 . -5.475 . . 3.406 . . 1 110 ASP H 1 110 ASP N . 16942 2 20 DHN . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR N N 15 . -0.895 . . 3.406 . . 1 111 THR H 1 111 THR N . 16942 2 21 DHN . 1 1 31 31 THR H H 1 . . 1 1 31 31 THR N N 15 . -13.948 . . 3.406 . . 1 112 THR H 1 112 THR N . 16942 2 22 DHN . 1 1 32 32 ALA H H 1 . . 1 1 32 32 ALA N N 15 . -16.518 . . 3.406 . . 1 113 ALA H 1 113 ALA N . 16942 2 23 DHN . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR N N 15 . -14.990 . . 3.406 . . 1 114 TYR H 1 114 TYR N . 16942 2 24 DHN . 1 1 34 34 VAL H H 1 . . 1 1 34 34 VAL N N 15 . -3.617 . . 3.406 . . 1 115 VAL H 1 115 VAL N . 16942 2 25 DHN . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER N N 15 . 8.591 . . 3.406 . . 1 117 SER H 1 117 SER N . 16942 2 26 DHN . 1 1 37 37 TYR H H 1 . . 1 1 37 37 TYR N N 15 . 9.138 . . 3.406 . . 1 118 TYR H 1 118 TYR N . 16942 2 27 DHN . 1 1 38 38 THR H H 1 . . 1 1 38 38 THR N N 15 . 7.342 . . 3.406 . . 1 119 THR H 1 119 THR N . 16942 2 28 DHN . 1 1 40 40 THR H H 1 . . 1 1 40 40 THR N N 15 . 9.861 . . 3.406 . . 1 121 THR H 1 121 THR N . 16942 2 29 DHN . 1 1 41 41 ASN H H 1 . . 1 1 41 41 ASN N N 15 . 3.527 . . 3.406 . . 1 122 ASN H 1 122 ASN N . 16942 2 30 DHN . 1 1 42 42 GLY H H 1 . . 1 1 42 42 GLY N N 15 . -2.719 . . 3.406 . . 1 123 GLY H 1 123 GLY N . 16942 2 31 DHN . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY N N 15 . 3.570 . . 3.406 . . 1 124 GLY H 1 124 GLY N . 16942 2 32 DHN . 1 1 44 44 GLN H H 1 . . 1 1 44 44 GLN N N 15 . 8.437 . . 3.406 . . 1 125 GLN H 1 125 GLN N . 16942 2 33 DHN . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG N N 15 . 6.509 . . 3.406 . . 1 126 ARG H 1 126 ARG N . 16942 2 34 DHN . 1 1 47 47 ASP H H 1 . . 1 1 47 47 ASP N N 15 . 5.207 . . 3.406 . . 1 128 ASP H 1 128 ASP N . 16942 2 35 DHN . 1 1 48 48 HIS H H 1 . . 1 1 48 48 HIS N N 15 . 17.142 . . 3.406 . . 1 129 HIS H 1 129 HIS N . 16942 2 36 DHN . 1 1 49 49 HIS H H 1 . . 1 1 49 49 HIS N N 15 . 15.045 . . 3.406 . . 1 130 HIS H 1 130 HIS N . 16942 2 37 DHN . 1 1 50 50 LYS H H 1 . . 1 1 50 50 LYS N N 15 . 3.483 . . 3.406 . . 1 131 LYS H 1 131 LYS N . 16942 2 38 DHN . 1 1 51 51 TRP H H 1 . . 1 1 51 51 TRP N N 15 . 8.240 . . 3.406 . . 1 132 TRP H 1 132 TRP N . 16942 2 39 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . -12.925 . . 3.406 . . 1 133 VAL H 1 133 VAL N . 16942 2 40 DHN . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE N N 15 . -16.629 . . 3.406 . . 1 134 ILE H 1 134 ILE N . 16942 2 41 DHN . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN N N 15 . -7.744 . . 3.406 . . 1 135 GLN H 1 135 GLN N . 16942 2 42 DHN . 1 1 55 55 GLU H H 1 . . 1 1 55 55 GLU N N 15 . 9.099 . . 3.406 . . 1 136 GLU H 1 136 GLU N . 16942 2 43 DHN . 1 1 56 56 GLU H H 1 . . 1 1 56 56 GLU N N 15 . -15.959 . . 3.406 . . 1 137 GLU H 1 137 GLU N . 16942 2 44 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . -2.767 . . 3.406 . . 1 138 ILE H 1 138 ILE N . 16942 2 45 DHN . 1 1 58 58 LYS H H 1 . . 1 1 58 58 LYS N N 15 . 2.334 . . 3.406 . . 1 139 LYS H 1 139 LYS N . 16942 2 46 DHN . 1 1 59 59 ASP H H 1 . . 1 1 59 59 ASP N N 15 . -3.168 . . 3.406 . . 1 140 ASP H 1 140 ASP N . 16942 2 47 DHN . 1 1 60 60 ALA H H 1 . . 1 1 60 60 ALA N N 15 . 0.592 . . 3.406 . . 1 141 ALA H 1 141 ALA N . 16942 2 48 DHN . 1 1 61 61 GLY H H 1 . . 1 1 61 61 GLY N N 15 . -12.825 . . 3.406 . . 1 142 GLY H 1 142 GLY N . 16942 2 49 DHN . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS N N 15 . -9.980 . . 3.406 . . 1 144 LYS H 1 144 LYS N . 16942 2 50 DHN . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . -1.167 . . 3.406 . . 1 145 THR H 1 145 THR N . 16942 2 51 DHN . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU N N 15 . 9.282 . . 3.406 . . 1 146 LEU H 1 146 LEU N . 16942 2 52 DHN . 1 1 66 66 GLN H H 1 . . 1 1 66 66 GLN N N 15 . 5.714 . . 3.406 . . 1 147 GLN H 1 147 GLN N . 16942 2 53 DHN . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY N N 15 . 6.794 . . 3.406 . . 1 149 GLY H 1 149 GLY N . 16942 2 54 DHN . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP N N 15 . 4.992 . . 3.406 . . 1 150 ASP H 1 150 ASP N . 16942 2 55 DHN . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 10.841 . . 3.406 . . 1 151 GLN H 1 151 GLN N . 16942 2 56 DHN . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL N N 15 . 3.588 . . 3.406 . . 1 152 VAL H 1 152 VAL N . 16942 2 57 DHN . 1 1 72 72 ILE H H 1 . . 1 1 72 72 ILE N N 15 . -0.264 . . 3.406 . . 1 153 ILE H 1 153 ILE N . 16942 2 58 DHN . 1 1 73 73 LEU H H 1 . . 1 1 73 73 LEU N N 15 . 1.544 . . 3.406 . . 1 154 LEU H 1 154 LEU N . 16942 2 59 DHN . 1 1 74 74 GLU H H 1 . . 1 1 74 74 GLU N N 15 . -13.087 . . 3.406 . . 1 155 GLU H 1 155 GLU N . 16942 2 60 DHN . 1 1 76 76 SER H H 1 . . 1 1 76 76 SER N N 15 . 6.581 . . 3.406 . . 1 157 SER H 1 157 SER N . 16942 2 61 DHN . 1 1 77 77 HIS H H 1 . . 1 1 77 77 HIS N N 15 . -1.724 . . 3.406 . . 1 158 HIS H 1 158 HIS N . 16942 2 62 DHN . 1 1 81 81 MET H H 1 . . 1 1 81 81 MET N N 15 . 11.760 . . 3.406 . . 1 162 MET H 1 162 MET N . 16942 2 63 DHN . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS N N 15 . 4.840 . . 3.406 . . 1 163 LYS H 1 163 LYS N . 16942 2 64 DHN . 1 1 83 83 GLY H H 1 . . 1 1 83 83 GLY N N 15 . -7.828 . . 3.406 . . 1 164 GLY H 1 164 GLY N . 16942 2 65 DHN . 1 1 84 84 ALA H H 1 . . 1 1 84 84 ALA N N 15 . 16.782 . . 3.406 . . 1 165 ALA H 1 165 ALA N . 16942 2 66 DHN . 1 1 85 85 THR H H 1 . . 1 1 85 85 THR N N 15 . -2.405 . . 3.406 . . 1 166 THR H 1 166 THR N . 16942 2 67 DHN . 1 1 86 86 ALA H H 1 . . 1 1 86 86 ALA N N 15 . 0.707 . . 3.406 . . 1 167 ALA H 1 167 ALA N . 16942 2 68 DHN . 1 1 87 87 GLU H H 1 . . 1 1 87 87 GLU N N 15 . 6.647 . . 3.406 . . 1 168 GLU H 1 168 GLU N . 16942 2 69 DHN . 1 1 88 88 ILE H H 1 . . 1 1 88 88 ILE N N 15 . 13.240 . . 3.406 . . 1 169 ILE H 1 169 ILE N . 16942 2 70 DHN . 1 1 89 89 ASP H H 1 . . 1 1 89 89 ASP N N 15 . 1.114 . . 3.406 . . 1 170 ASP H 1 170 ASP N . 16942 2 71 DHN . 1 1 90 90 SER H H 1 . . 1 1 90 90 SER N N 15 . -15.340 . . 3.406 . . 1 171 SER H 1 171 SER N . 16942 2 72 DHN . 1 1 91 91 ALA H H 1 . . 1 1 91 91 ALA N N 15 . -12.770 . . 3.406 . . 1 172 ALA H 1 172 ALA N . 16942 2 73 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . -16.557 . . 3.406 . . 1 173 GLU H 1 173 GLU N . 16942 2 74 DHN . 1 1 93 93 LYS H H 1 . . 1 1 93 93 LYS N N 15 . -15.471 . . 3.406 . . 1 174 LYS H 1 174 LYS N . 16942 2 75 DHN . 1 1 94 94 THR H H 1 . . 1 1 94 94 THR N N 15 . -9.077 . . 3.406 . . 1 175 THR H 1 175 THR N . 16942 2 76 DHN . 1 1 95 95 THR H H 1 . . 1 1 95 95 THR N N 15 . -4.827 . . 3.406 . . 1 176 THR H 1 176 THR N . 16942 2 77 DHN . 1 1 96 96 VAL H H 1 . . 1 1 96 96 VAL N N 15 . -2.119 . . 3.406 . . 1 177 VAL H 1 177 VAL N . 16942 2 78 DHN . 1 1 97 97 TYR H H 1 . . 1 1 97 97 TYR N N 15 . -2.631 . . 3.406 . . 1 178 TYR H 1 178 TYR N . 16942 2 79 DHN . 1 1 99 99 VAL H H 1 . . 1 1 99 99 VAL N N 15 . 8.429 . . 3.406 . . 1 180 VAL H 1 180 VAL N . 16942 2 80 DHN . 1 1 100 100 ASP H H 1 . . 1 1 100 100 ASP N N 15 . 0.824 . . 3.406 . . 1 181 ASP H 1 181 ASP N . 16942 2 81 DHN . 1 1 101 101 TYR H H 1 . . 1 1 101 101 TYR N N 15 . -4.809 . . 3.406 . . 1 182 TYR H 1 182 TYR N . 16942 2 82 DHN . 1 1 102 102 THR H H 1 . . 1 1 102 102 THR N N 15 . -10.847 . . 3.406 . . 1 183 THR H 1 183 THR N . 16942 2 83 DHN . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER N N 15 . -16.919 . . 3.406 . . 1 184 SER H 1 184 SER N . 16942 2 84 DHN . 1 1 104 104 THR H H 1 . . 1 1 104 104 THR N N 15 . 7.020 . . 3.406 . . 1 185 THR H 1 185 THR N . 16942 2 85 DHN . 1 1 105 105 THR H H 1 . . 1 1 105 105 THR N N 15 . 6.963 . . 3.406 . . 1 186 THR H 1 186 THR N . 16942 2 86 DHN . 1 1 108 108 GLU H H 1 . . 1 1 108 108 GLU N N 15 . 3.098 . . 3.406 . . 1 189 GLU H 1 189 GLU N . 16942 2 87 DHN . 1 1 109 109 LYS H H 1 . . 1 1 109 109 LYS N N 15 . -12.966 . . 3.406 . . 1 190 LYS H 1 190 LYS N . 16942 2 88 DHN . 1 1 110 110 VAL H H 1 . . 1 1 110 110 VAL N N 15 . -8.150 . . 3.406 . . 1 191 VAL H 1 191 VAL N . 16942 2 89 DHN . 1 1 111 111 LYS H H 1 . . 1 1 111 111 LYS N N 15 . -5.387 . . 3.406 . . 1 192 LYS H 1 192 LYS N . 16942 2 90 DHN . 1 1 112 112 ASN H H 1 . . 1 1 112 112 ASN N N 15 . 12.256 . . 3.406 . . 1 193 ASN H 1 193 ASN N . 16942 2 91 DHN . 1 1 113 113 HIS H H 1 . . 1 1 113 113 HIS N N 15 . 15.731 . . 3.406 . . 1 194 HIS H 1 194 HIS N . 16942 2 92 DHN . 1 1 114 114 LYS H H 1 . . 1 1 114 114 LYS N N 15 . -6.422 . . 3.406 . . 1 195 LYS H 1 195 LYS N . 16942 2 93 DHN . 1 1 115 115 TRP H H 1 . . 1 1 115 115 TRP N N 15 . 0.120 . . 3.406 . . 1 196 TRP H 1 196 TRP N . 16942 2 94 DHN . 1 1 116 116 VAL H H 1 . . 1 1 116 116 VAL N N 15 . -1.130 . . 3.406 . . 1 197 VAL H 1 197 VAL N . 16942 2 95 DHN . 1 1 120 120 GLU H H 1 . . 1 1 120 120 GLU N N 15 . -1.954 . . 3.406 . . 1 201 GLU H 1 201 GLU N . 16942 2 96 DHN . 1 1 121 121 LEU H H 1 . . 1 1 121 121 LEU N N 15 . -3.392 . . 3.406 . . 1 202 LEU H 1 202 LEU N . 16942 2 97 DHN . 1 1 122 122 SER H H 1 . . 1 1 122 122 SER N N 15 . -11.230 . . 3.406 . . 1 203 SER H 1 203 SER N . 16942 2 98 DHN . 1 1 123 123 ALA H H 1 . . 1 1 123 123 ALA N N 15 . -12.001 . . 3.406 . . 1 204 ALA H 1 204 ALA N . 16942 2 99 DHN . 1 1 124 124 LYS H H 1 . . 1 1 124 124 LYS N N 15 . -6.300 . . 3.406 . . 1 205 LYS H 1 205 LYS N . 16942 2 100 DHN . 1 1 125 125 LEU H H 1 . . 1 1 125 125 LEU N N 15 . -1.450 . . 3.406 . . 1 206 LEU H 1 206 LEU N . 16942 2 101 DHN . 1 1 126 126 GLU H H 1 . . 1 1 126 126 GLU N N 15 . -2.117 . . 3.406 . . 1 207 GLU H 1 207 GLU N . 16942 2 stop_ save_