data_nef_c34091_5mxs save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34090 BMRB 34092 PDB 5MXS stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 14 ASP C 1 15 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 TRP start . . 2 A 2 TYR middle . . 3 A 3 HIS middle . . 4 A 4 ARG middle . . 5 A 5 LEU middle . . 6 A 6 SER middle . . 7 A 7 HIS middle . . 8 A 8 LEU middle . . 9 A 9 HIS middle . . 10 A 10 SER middle . . 11 A 11 ARG middle . . 12 A 12 LEU middle . . 13 A 13 GLN middle . . 14 A 14 ASP middle -OXT . 15 A 15 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 TRP HA H 1 4.142 . A 1 TRP HBy H 1 3.231 . A 1 TRP HBx H 1 3.162 . A 1 TRP HD1 H 1 7.109 . A 1 TRP HE3 H 1 7.421 . A 1 TRP HH2 H 1 7.054 . A 1 TRP HZ2 H 1 7.324 . A 1 TRP HZ3 H 1 6.942 . A 1 TRP CA C 13 56.100 . A 1 TRP CB C 13 29.468 . A 1 TRP CD1 C 13 127.955 . A 1 TRP CE3 C 13 120.687 . A 1 TRP CH2 C 13 124.751 . A 1 TRP CZ2 C 13 114.612 . A 1 TRP CZ3 C 13 122.081 . A 2 TYR H H 1 8.204 . A 2 TYR HA H 1 4.353 . A 2 TYR HBy H 1 2.772 . A 2 TYR HBx H 1 2.704 . A 2 TYR HD1 H 1 6.846 . A 2 TYR HD2 H 1 6.846 . A 2 TYR HE1 H 1 6.611 . A 2 TYR HE2 H 1 6.611 . A 2 TYR CA C 13 58.182 . A 2 TYR CB C 13 38.856 . A 2 TYR CD1 C 13 132.922 . A 2 TYR CE1 C 13 118.071 . A 3 HIS H H 1 8.188 . A 3 HIS HA H 1 4.407 . A 3 HIS HBy H 1 3.011 . A 3 HIS HBx H 1 2.905 . A 3 HIS HD2 H 1 8.302 . A 3 HIS HE1 H 1 7.023 . A 3 HIS CA C 13 55.071 . A 3 HIS CB C 13 28.784 . A 3 HIS CD2 C 13 136.015 . A 3 HIS CE1 C 13 119.851 . A 4 ARG H H 1 8.125 . A 4 ARG HA H 1 4.057 . A 4 ARG HBy H 1 1.672 . A 4 ARG HBx H 1 1.611 . A 4 ARG HDx H 1 3.024 . A 4 ARG HDy H 1 3.024 . A 4 ARG HGy H 1 1.476 . A 4 ARG HGx H 1 1.451 . A 4 ARG CA C 13 56.837 . A 4 ARG CB C 13 30.817 . A 4 ARG CD C 13 43.277 . A 4 ARG CG C 13 27.227 . A 5 LEU H H 1 8.113 . A 5 LEU HA H 1 4.213 . A 5 LEU HBy H 1 1.511 . A 5 LEU HBx H 1 1.429 . A 5 LEU HDx% H 1 0.754 . A 5 LEU HDy% H 1 0.695 . A 5 LEU HG H 1 1.462 . A 5 LEU CA C 13 55.454 . A 5 LEU CB C 13 42.148 . A 5 LEU CD1 C 13 24.517 . A 5 LEU CD2 C 13 23.227 . A 5 LEU CG C 13 26.912 . A 6 SER H H 1 7.967 . A 6 SER HA H 1 4.211 . A 6 SER HBy H 1 3.721 . A 6 SER HBx H 1 3.667 . A 6 SER CA C 13 58.790 . A 6 SER CB C 13 63.740 . A 7 HIS H H 1 8.294 . A 7 HIS HA H 1 4.521 . A 7 HIS HBy H 1 3.184 . A 7 HIS HBx H 1 3.034 . A 7 HIS HD2 H 1 8.438 . A 7 HIS HE1 H 1 7.144 . A 7 HIS CA C 13 55.868 . A 7 HIS CB C 13 28.601 . A 7 HIS CD2 C 13 136.120 . A 7 HIS CE1 C 13 119.916 . A 8 LEU H H 1 7.964 . A 8 LEU HA H 1 4.081 . A 8 LEU HBy H 1 1.458 . A 8 LEU HBx H 1 1.383 . A 8 LEU HDx% H 1 0.748 . A 8 LEU HDy% H 1 0.700 . A 8 LEU HG H 1 1.365 . A 8 LEU CA C 13 56.133 . A 8 LEU CB C 13 42.209 . A 8 LEU CD1 C 13 24.275 . A 8 LEU CD2 C 13 22.912 . A 8 LEU CG C 13 26.899 . A 9 HIS H H 1 8.314 . A 9 HIS HA H 1 4.481 . A 9 HIS HBy H 1 3.160 . A 9 HIS HBx H 1 3.060 . A 9 HIS HD2 H 1 8.432 . A 9 HIS HE1 H 1 7.143 . A 9 HIS CA C 13 55.935 . A 9 HIS CB C 13 28.649 . A 9 HIS CD2 C 13 136.129 . A 9 HIS CE1 C 13 119.941 . A 10 SER H H 1 8.025 . A 10 SER HA H 1 4.279 . A 10 SER HBy H 1 3.800 . A 10 SER HBx H 1 3.710 . A 10 SER CA C 13 58.846 . A 10 SER CB C 13 63.840 . A 11 ARG H H 1 8.180 . A 11 ARG HA H 1 4.167 . A 11 ARG HBy H 1 1.768 . A 11 ARG HBx H 1 1.677 . A 11 ARG HDx H 1 3.050 . A 11 ARG HDy H 1 3.050 . A 11 ARG HGy H 1 1.522 . A 11 ARG HGx H 1 1.498 . A 11 ARG CA C 13 56.858 . A 11 ARG CB C 13 30.372 . A 11 ARG CD C 13 43.160 . A 11 ARG CG C 13 27.062 . A 12 LEU H H 1 8.116 . A 12 LEU HA H 1 4.195 . A 12 LEU HBy H 1 1.492 . A 12 LEU HBx H 1 1.406 . A 12 LEU HDx% H 1 0.752 . A 12 LEU HDy% H 1 0.692 . A 12 LEU HG H 1 1.430 . A 12 LEU CA C 13 55.507 . A 12 LEU CB C 13 42.158 . A 12 LEU CD1 C 13 24.488 . A 12 LEU CD2 C 13 23.220 . A 12 LEU CG C 13 26.920 . A 13 GLN H H 1 7.968 . A 13 GLN HA H 1 4.123 . A 13 GLN HBy H 1 1.959 . A 13 GLN HBx H 1 1.859 . A 13 GLN HGx H 1 2.192 . A 13 GLN HGy H 1 2.192 . A 13 GLN CA C 13 56.012 . A 13 GLN CB C 13 29.242 . A 13 GLN CG C 13 33.795 . A 14 ASP H H 1 8.004 . A 14 ASP HA H 1 4.537 . A 14 ASP HBy H 1 2.760 . A 14 ASP HBx H 1 2.714 . A 14 ASP CA C 13 52.785 . A 14 ASP CB C 13 38.332 . A 15 NH2 HNy H 1 7.220 . A 15 NH2 HNx H 1 6.928 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 TRP HA A 1 TRP HD1 1.0 . 4.88 2 2 A 1 TRP HA A 1 TRP HE3 1.0 . 4.08 3 3 A 1 TRP HA A 4 ARG HDx 1.0 . 4.97 4 3 A 1 TRP HA A 4 ARG HDy 1.0 . 4.97 5 4 A 1 TRP HD1 A 1 TRP HBx 1.0 . 3.76 6 5 A 1 TRP HBx A 2 TYR H 1.0 . 4.31 7 6 A 1 TRP HD1 A 2 TYR H 1.0 . 5.16 8 7 A 1 TRP HE3 A 2 TYR H 1.0 . 4.71 9 8 A 1 TRP HE3 A 2 TYR HA 1.0 . 4.97 10 9 A 1 TRP HH2 A 5 LEU HA 1.0 . 5.50 11 10 A 1 TRP HH2 A 5 LEU HBy 1.0 . 4.89 12 11 A 1 TRP HH2 A 5 LEU HG 1.0 . 5.25 13 12 A 1 TRP HZ2 A 2 TYR HE% 1.0 . 3.00 14 13 A 2 TYR H A 2 TYR HA 1.0 . 2.85 15 14 A 2 TYR H A 2 TYR HBy 1.0 . 3.60 16 15 A 2 TYR H A 2 TYR HBx 1.0 . 3.91 17 16 A 2 TYR H A 2 TYR HD% 1.0 . 3.99 18 17 A 2 TYR H A 3 HIS HE1 1.0 . 4.95 19 18 A 2 TYR HA A 2 TYR HD% 1.0 . 3.50 20 19 A 2 TYR HA A 2 TYR HE% 1.0 . 5.50 21 20 A 2 TYR HBy A 5 LEU HDy% 1.0 . 5.50 22 21 A 2 TYR HBx A 3 HIS H 1.0 . 4.12 23 22 A 2 TYR HBx A 4 ARG H 1.0 . 5.50 24 23 A 2 TYR HBx A 5 LEU H 1.0 . 5.50 25 24 A 2 TYR HBx A 5 LEU HDy% 1.0 . 4.78 26 25 A 2 TYR HD% A 5 LEU H 1.0 . 5.28 27 26 A 5 LEU HG A 2 TYR HD% 1.0 . 5.50 28 27 A 3 HIS H A 3 HIS HBy 1.0 . 4.14 29 28 A 3 HIS H A 3 HIS HBx 1.0 . 3.78 30 29 A 3 HIS HE1 A 3 HIS H 1.0 . 5.21 31 30 A 3 HIS HBx A 3 HIS HA 1.0 . 2.92 32 31 A 4 ARG H A 3 HIS HBy 1.0 . 4.01 33 32 A 3 HIS HE1 A 3 HIS HBx 1.0 . 5.00 34 33 A 4 ARG H A 3 HIS HBx 1.0 . 4.42 35 34 A 3 HIS HD2 A 7 HIS HE1 1.0 . 5.17 36 35 A 3 HIS HE1 A 4 ARG H 1.0 . 5.05 37 36 A 3 HIS HE1 A 4 ARG HGy 1.0 . 5.50 38 37 A 4 ARG H A 4 ARG HA 1.0 . 2.85 39 38 A 4 ARG H A 4 ARG HBy 1.0 . 3.54 40 39 A 4 ARG H A 4 ARG HBx 1.0 . 4.01 41 40 A 4 ARG H A 4 ARG HGx 1.0 . 3.99 42 41 A 4 ARG H A 4 ARG HDx 1.0 . 4.75 43 41 A 4 ARG HDy A 4 ARG H 1.0 . 4.75 44 42 A 4 ARG HGy A 4 ARG HA 1.0 . 3.63 45 43 A 4 ARG HA A 4 ARG HDx 1.0 . 4.56 46 43 A 4 ARG HDy A 4 ARG HA 1.0 . 4.56 47 44 A 7 HIS HE1 A 4 ARG HA 1.0 . 5.49 48 45 A 4 ARG HBy A 4 ARG HDx 1.0 . 4.08 49 45 A 4 ARG HDy A 4 ARG HBy 1.0 . 4.08 50 46 A 5 LEU H A 4 ARG HBy 1.0 . 4.02 51 47 A 4 ARG HBx A 4 ARG HDx 1.0 . 3.96 52 47 A 4 ARG HDy A 4 ARG HBx 1.0 . 3.96 53 48 A 5 LEU H A 4 ARG HBx 1.0 . 4.52 54 49 A 4 ARG HBx A 8 LEU H 1.0 . 4.68 55 50 A 4 ARG HGy A 7 HIS HBy 1.0 . 5.50 56 51 A 8 LEU HDx% A 4 ARG HDx 1.0 . 5.50 57 51 A 4 ARG HDy A 8 LEU HDx% 1.0 . 5.50 58 52 A 5 LEU HBy A 5 LEU H 1.0 . 3.49 59 53 A 5 LEU H A 5 LEU HDx% 1.0 . 4.74 60 54 A 5 LEU HDy% A 5 LEU H 1.0 . 5.21 61 55 A 5 LEU H A 6 SER H 1.0 . 3.78 62 56 A 5 LEU HA A 5 LEU HG 1.0 . 3.80 63 57 A 5 LEU HA A 5 LEU HDx% 1.0 . 3.55 64 58 A 5 LEU HA A 9 HIS H 1.0 . 4.20 65 59 A 5 LEU HA A 9 HIS HE1 1.0 . 4.98 66 60 A 5 LEU HBy A 5 LEU HDx% 1.0 . 3.32 67 61 A 6 SER H A 5 LEU HBx 1.0 . 3.44 68 62 A 5 LEU HG A 6 SER HBy 1.0 . 5.50 69 63 A 5 LEU HG A 9 HIS HBy 1.0 . 5.47 70 64 A 5 LEU HG A 9 HIS HBx 1.0 . 5.50 71 65 A 5 LEU HG A 9 HIS HE1 1.0 . 5.50 72 66 A 5 LEU HDx% A 9 HIS H 1.0 . 5.29 73 67 A 5 LEU HDx% A 9 HIS HBy 1.0 . 5.50 74 68 A 5 LEU HDx% A 9 HIS HD2 1.0 . 4.84 75 69 A 5 LEU HDx% A 9 HIS HE1 1.0 . 5.04 76 70 A 5 LEU HDy% A 6 SER H 1.0 . 4.28 77 71 A 5 LEU HDy% A 6 SER HA 1.0 . 4.93 78 72 A 5 LEU HDy% A 9 HIS H 1.0 . 5.25 79 73 A 5 LEU HDy% A 9 HIS HBy 1.0 . 5.50 80 74 A 5 LEU HDy% A 9 HIS HE1 1.0 . 4.74 81 75 A 6 SER H A 6 SER HA 1.0 . 2.83 82 76 A 6 SER H A 6 SER HBy 1.0 . 3.63 83 77 A 6 SER H A 6 SER HBx 1.0 . 3.64 84 78 A 6 SER H A 7 HIS H 1.0 . 3.62 85 79 A 6 SER H A 9 HIS HBy 1.0 . 5.50 86 80 A 9 HIS HBy A 6 SER HA 1.0 . 4.95 87 81 A 9 HIS HBx A 6 SER HA 1.0 . 4.65 88 82 A 6 SER HBy A 7 HIS H 1.0 . 4.23 89 83 A 7 HIS HE1 A 6 SER HBy 1.0 . 5.50 90 84 A 6 SER HBx A 7 HIS H 1.0 . 4.42 91 85 A 7 HIS HE1 A 6 SER HBx 1.0 . 5.50 92 86 A 7 HIS HBy A 7 HIS H 1.0 . 3.72 93 87 A 7 HIS HE1 A 7 HIS H 1.0 . 5.40 94 88 A 8 LEU H A 7 HIS H 1.0 . 4.05 95 89 A 7 HIS HA A 7 HIS HBx 1.0 . 2.95 96 90 A 7 HIS HE1 A 7 HIS HA 1.0 . 5.17 97 91 A 7 HIS HBy A 8 LEU HDx% 1.0 . 5.50 98 92 A 7 HIS HBy A 8 LEU HDy% 1.0 . 5.50 99 93 A 8 LEU H A 7 HIS HBx 1.0 . 4.20 100 94 A 7 HIS HBx A 8 LEU HA 1.0 . 5.00 101 95 A 8 LEU HDx% A 7 HIS HBx 1.0 . 5.50 102 96 A 8 LEU H A 11 ARG HBy 1.0 . 5.43 103 97 A 8 LEU H A 8 LEU HBy 1.0 . 3.22 104 98 A 8 LEU H A 8 LEU HBx 1.0 . 3.51 105 99 A 8 LEU H A 8 LEU HDx% 1.0 . 4.13 106 100 A 8 LEU H A 8 LEU HDy% 1.0 . 4.89 107 101 A 8 LEU H A 9 HIS H 1.0 . 4.08 108 102 A 8 LEU H A 9 HIS HBy 1.0 . 5.50 109 103 A 8 LEU HA A 11 ARG H 1.0 . 5.50 110 104 A 8 LEU HA A 11 ARG HGy 1.0 . 4.47 111 104 A 8 LEU HA A 11 ARG HGx 1.0 . 4.47 112 105 A 8 LEU HA A 8 LEU HG 1.0 . 3.64 113 106 A 8 LEU HDx% A 8 LEU HA 1.0 . 3.38 114 107 A 8 LEU HDy% A 8 LEU HA 1.0 . 3.80 115 108 A 8 LEU HDx% A 8 LEU HBy 1.0 . 3.35 116 109 A 8 LEU HDy% A 8 LEU HBy 1.0 . 3.62 117 110 A 9 HIS H A 8 LEU HBy 1.0 . 3.97 118 111 A 9 HIS HE1 A 8 LEU HBy 1.0 . 5.50 119 112 A 8 LEU HDy% A 8 LEU HBx 1.0 . 3.45 120 113 A 9 HIS H A 8 LEU HBx 1.0 . 4.59 121 114 A 8 LEU HDx% A 9 HIS H 1.0 . 5.50 122 115 A 9 HIS H A 8 LEU HDy% 1.0 . 5.15 123 116 A 8 LEU HDy% A 9 HIS HA 1.0 . 5.50 124 117 A 9 HIS H A 9 HIS HE1 1.0 . 5.50 125 118 A 9 HIS HA A 10 SER H 1.0 . 3.57 126 119 A 9 HIS HA A 12 LEU HBy 1.0 . 5.43 127 120 A 9 HIS HA A 12 LEU HBx 1.0 . 4.99 128 121 A 9 HIS HA A 12 LEU HDx% 1.0 . 5.50 129 122 A 9 HIS HA A 12 LEU HDy% 1.0 . 5.50 130 123 A 9 HIS HE1 A 9 HIS HA 1.0 . 4.93 131 124 A 9 HIS HE1 A 9 HIS HBy 1.0 . 5.09 132 125 A 10 SER H A 10 SER HBy 1.0 . 3.80 133 126 A 10 SER H A 10 SER HBx 1.0 . 3.80 134 127 A 10 SER H A 13 GLN HGx 1.0 . 5.50 135 127 A 10 SER H A 13 GLN HGy 1.0 . 5.50 136 128 A 10 SER HA A 13 GLN H 1.0 . 4.60 137 129 A 10 SER HA A 13 GLN HBx 1.0 . 5.50 138 130 A 10 SER HA A 13 GLN HGx 1.0 . 5.50 139 130 A 13 GLN HGy A 10 SER HA 1.0 . 5.50 140 131 A 11 ARG H A 10 SER HBy 1.0 . 4.68 141 132 A 11 ARG H A 10 SER HBx 1.0 . 4.68 142 133 A 11 ARG H A 10 SER HBx 1.0 . 3.96 143 133 A 11 ARG H A 10 SER HBy 1.0 . 3.96 144 134 A 10 SER HBx A 11 ARG HGy 1.0 . 4.26 145 134 A 10 SER HBy A 11 ARG HGy 1.0 . 4.26 146 134 A 11 ARG HGx A 10 SER HBx 1.0 . 4.26 147 134 A 11 ARG HGx A 10 SER HBy 1.0 . 4.26 148 135 A 13 GLN H A 10 SER HBx 1.0 . 5.31 149 135 A 13 GLN H A 10 SER HBy 1.0 . 5.31 150 136 A 10 SER HBy A 13 GLN HGx 1.0 . 5.34 151 136 A 10 SER HBx A 13 GLN HGx 1.0 . 5.34 152 136 A 13 GLN HGy A 10 SER HBx 1.0 . 5.34 153 136 A 13 GLN HGy A 10 SER HBy 1.0 . 5.34 154 137 A 11 ARG HBy A 11 ARG H 1.0 . 3.93 155 138 A 11 ARG H A 11 ARG HBx 1.0 . 3.67 156 139 A 11 ARG H A 11 ARG HDx 1.0 . 5.39 157 139 A 11 ARG H A 11 ARG HDy 1.0 . 5.39 158 140 A 11 ARG H A 11 ARG HGy 1.0 . 3.90 159 140 A 11 ARG H A 11 ARG HGx 1.0 . 3.90 160 141 A 11 ARG HA A 11 ARG HDx 1.0 . 4.36 161 141 A 11 ARG HDy A 11 ARG HA 1.0 . 4.36 162 142 A 11 ARG HBy A 13 GLN H 1.0 . 5.50 163 143 A 11 ARG HBx A 12 LEU H 1.0 . 4.38 164 144 A 12 LEU HBx A 12 LEU H 1.0 . 3.76 165 145 A 12 LEU HDx% A 12 LEU H 1.0 . 5.50 166 146 A 12 LEU HDy% A 12 LEU H 1.0 . 5.12 167 147 A 13 GLN H A 12 LEU H 1.0 . 4.01 168 148 A 12 LEU HA A 12 LEU HG 1.0 . 3.97 169 149 A 12 LEU HDx% A 12 LEU HA 1.0 . 4.50 170 150 A 12 LEU HBy A 12 LEU HDx% 1.0 . 3.34 171 151 A 12 LEU HBx A 12 LEU HDy% 1.0 . 3.64 172 152 A 12 LEU HBx A 13 GLN H 1.0 . 3.09 173 153 A 12 LEU HBx A 13 GLN HA 1.0 . 4.25 174 154 A 12 LEU HG A 13 GLN HA 1.0 . 3.90 175 155 A 12 LEU HDy% A 13 GLN H 1.0 . 4.73 176 156 A 12 LEU HDy% A 13 GLN HA 1.0 . 4.48 177 157 A 13 GLN H A 13 GLN HBx 1.0 . 3.64 178 157 A 13 GLN H A 13 GLN HBy 1.0 . 3.64 179 158 A 13 GLN H A 13 GLN HGx 1.0 . 4.34 180 158 A 13 GLN HGy A 13 GLN H 1.0 . 4.34 181 159 A 13 GLN HA A 13 GLN HBx 1.0 . 2.59 182 159 A 13 GLN HA A 13 GLN HBy 1.0 . 2.59 183 160 A 13 GLN HA A 13 GLN HGx 1.0 . 4.16 184 160 A 13 GLN HGy A 13 GLN HA 1.0 . 4.16 185 161 A 13 GLN HBy A 14 ASP H 1.0 . 5.50 186 162 A 14 ASP H A 13 GLN HBx 1.0 . 5.50 187 163 A 14 ASP H A 13 GLN HGx 1.0 . 5.50 188 163 A 13 GLN HGy A 14 ASP H 1.0 . 5.50 stop_ save_