data_50085 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50085 _Entry.Title ; Collective exchange processes reveal an active site proton cage in bacteriorhodopsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-11 _Entry.Accession_date 2019-11-11 _Entry.Last_release_date 2019-11-12 _Entry.Original_release_date 2019-11-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'solid-state MAS' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Daniel Friedrich . . . . 50085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 2 50085 '15N chemical shifts' 42 50085 '1H chemical shifts' 44 50085 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-12 2019-11-11 update BMRB 'update entry citation' 50085 1 . . 2020-01-06 2019-11-11 original author 'original release' 50085 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50085 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31925324 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Collective exchange processes reveal an active site proton cage in bacteriorhodopsin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4 _Citation.Page_last 4 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daniel Friedrich D. . . . 50085 1 2 Florian Brunig F. N. . . 50085 1 3 Andrew Nieuwkoop A. J. . . 50085 1 4 Roland Netz R. R. . . 50085 1 5 Peter Hegemann P. . . . 50085 1 6 Hartmut Oschkinat H. . . . 50085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50085 _Assembly.ID 1 _Assembly.Name bacteriorhodopsin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 bacteriorhodopsin 1 $entity_1 . . yes native no no . . . 50085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QAQITGRPEWIWLALGTALM GLGTLYFLVKGMGVSDPDAK KFYAITTLVPAIAFTMYLSM LLGYGLTMVPFGGEQNPIYW ARYADWLFTTPLLLLDLALL VDADQGTILALVGADGIMIG TGLVGALTKVYSYRFVWWAI STAAMLYILYVLFFGFTSLA ESMRPEVASTFKVLRNVTVV LWSAYPVVWLIGSEGAGIVP LNIETLLFMVLDVSAKVGFG LILLRSRAIFGEAEAPEPSA GDGAAATS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLN . 50085 1 2 . ALA . 50085 1 3 . GLN . 50085 1 4 . ILE . 50085 1 5 . THR . 50085 1 6 . GLY . 50085 1 7 . ARG . 50085 1 8 . PRO . 50085 1 9 . GLU . 50085 1 10 . TRP . 50085 1 11 . ILE . 50085 1 12 . TRP . 50085 1 13 . LEU . 50085 1 14 . ALA . 50085 1 15 . LEU . 50085 1 16 . GLY . 50085 1 17 . THR . 50085 1 18 . ALA . 50085 1 19 . LEU . 50085 1 20 . MET . 50085 1 21 . GLY . 50085 1 22 . LEU . 50085 1 23 . GLY . 50085 1 24 . THR . 50085 1 25 . LEU . 50085 1 26 . TYR . 50085 1 27 . PHE . 50085 1 28 . LEU . 50085 1 29 . VAL . 50085 1 30 . LYS . 50085 1 31 . GLY . 50085 1 32 . MET . 50085 1 33 . GLY . 50085 1 34 . VAL . 50085 1 35 . SER . 50085 1 36 . ASP . 50085 1 37 . PRO . 50085 1 38 . ASP . 50085 1 39 . ALA . 50085 1 40 . LYS . 50085 1 41 . LYS . 50085 1 42 . PHE . 50085 1 43 . TYR . 50085 1 44 . ALA . 50085 1 45 . ILE . 50085 1 46 . THR . 50085 1 47 . THR . 50085 1 48 . LEU . 50085 1 49 . VAL . 50085 1 50 . PRO . 50085 1 51 . ALA . 50085 1 52 . ILE . 50085 1 53 . ALA . 50085 1 54 . PHE . 50085 1 55 . THR . 50085 1 56 . MET . 50085 1 57 . TYR . 50085 1 58 . LEU . 50085 1 59 . SER . 50085 1 60 . MET . 50085 1 61 . LEU . 50085 1 62 . LEU . 50085 1 63 . GLY . 50085 1 64 . TYR . 50085 1 65 . GLY . 50085 1 66 . LEU . 50085 1 67 . THR . 50085 1 68 . MET . 50085 1 69 . VAL . 50085 1 70 . PRO . 50085 1 71 . PHE . 50085 1 72 . GLY . 50085 1 73 . GLY . 50085 1 74 . GLU . 50085 1 75 . GLN . 50085 1 76 . ASN . 50085 1 77 . PRO . 50085 1 78 . ILE . 50085 1 79 . TYR . 50085 1 80 . TRP . 50085 1 81 . ALA . 50085 1 82 . ARG . 50085 1 83 . TYR . 50085 1 84 . ALA . 50085 1 85 . ASP . 50085 1 86 . TRP . 50085 1 87 . LEU . 50085 1 88 . PHE . 50085 1 89 . THR . 50085 1 90 . THR . 50085 1 91 . PRO . 50085 1 92 . LEU . 50085 1 93 . LEU . 50085 1 94 . LEU . 50085 1 95 . LEU . 50085 1 96 . ASP . 50085 1 97 . LEU . 50085 1 98 . ALA . 50085 1 99 . LEU . 50085 1 100 . LEU . 50085 1 101 . VAL . 50085 1 102 . ASP . 50085 1 103 . ALA . 50085 1 104 . ASP . 50085 1 105 . GLN . 50085 1 106 . GLY . 50085 1 107 . THR . 50085 1 108 . ILE . 50085 1 109 . LEU . 50085 1 110 . ALA . 50085 1 111 . LEU . 50085 1 112 . VAL . 50085 1 113 . GLY . 50085 1 114 . ALA . 50085 1 115 . ASP . 50085 1 116 . GLY . 50085 1 117 . ILE . 50085 1 118 . MET . 50085 1 119 . ILE . 50085 1 120 . GLY . 50085 1 121 . THR . 50085 1 122 . GLY . 50085 1 123 . LEU . 50085 1 124 . VAL . 50085 1 125 . GLY . 50085 1 126 . ALA . 50085 1 127 . LEU . 50085 1 128 . THR . 50085 1 129 . LYS . 50085 1 130 . VAL . 50085 1 131 . TYR . 50085 1 132 . SER . 50085 1 133 . TYR . 50085 1 134 . ARG . 50085 1 135 . PHE . 50085 1 136 . VAL . 50085 1 137 . TRP . 50085 1 138 . TRP . 50085 1 139 . ALA . 50085 1 140 . ILE . 50085 1 141 . SER . 50085 1 142 . THR . 50085 1 143 . ALA . 50085 1 144 . ALA . 50085 1 145 . MET . 50085 1 146 . LEU . 50085 1 147 . TYR . 50085 1 148 . ILE . 50085 1 149 . LEU . 50085 1 150 . TYR . 50085 1 151 . VAL . 50085 1 152 . LEU . 50085 1 153 . PHE . 50085 1 154 . PHE . 50085 1 155 . GLY . 50085 1 156 . PHE . 50085 1 157 . THR . 50085 1 158 . SER . 50085 1 159 . LEU . 50085 1 160 . ALA . 50085 1 161 . GLU . 50085 1 162 . SER . 50085 1 163 . MET . 50085 1 164 . ARG . 50085 1 165 . PRO . 50085 1 166 . GLU . 50085 1 167 . VAL . 50085 1 168 . ALA . 50085 1 169 . SER . 50085 1 170 . THR . 50085 1 171 . PHE . 50085 1 172 . LYS . 50085 1 173 . VAL . 50085 1 174 . LEU . 50085 1 175 . ARG . 50085 1 176 . ASN . 50085 1 177 . VAL . 50085 1 178 . THR . 50085 1 179 . VAL . 50085 1 180 . VAL . 50085 1 181 . LEU . 50085 1 182 . TRP . 50085 1 183 . SER . 50085 1 184 . ALA . 50085 1 185 . TYR . 50085 1 186 . PRO . 50085 1 187 . VAL . 50085 1 188 . VAL . 50085 1 189 . TRP . 50085 1 190 . LEU . 50085 1 191 . ILE . 50085 1 192 . GLY . 50085 1 193 . SER . 50085 1 194 . GLU . 50085 1 195 . GLY . 50085 1 196 . ALA . 50085 1 197 . GLY . 50085 1 198 . ILE . 50085 1 199 . VAL . 50085 1 200 . PRO . 50085 1 201 . LEU . 50085 1 202 . ASN . 50085 1 203 . ILE . 50085 1 204 . GLU . 50085 1 205 . THR . 50085 1 206 . LEU . 50085 1 207 . LEU . 50085 1 208 . PHE . 50085 1 209 . MET . 50085 1 210 . VAL . 50085 1 211 . LEU . 50085 1 212 . ASP . 50085 1 213 . VAL . 50085 1 214 . SER . 50085 1 215 . ALA . 50085 1 216 . LYS . 50085 1 217 . VAL . 50085 1 218 . GLY . 50085 1 219 . PHE . 50085 1 220 . GLY . 50085 1 221 . LEU . 50085 1 222 . ILE . 50085 1 223 . LEU . 50085 1 224 . LEU . 50085 1 225 . ARG . 50085 1 226 . SER . 50085 1 227 . ARG . 50085 1 228 . ALA . 50085 1 229 . ILE . 50085 1 230 . PHE . 50085 1 231 . GLY . 50085 1 232 . GLU . 50085 1 233 . ALA . 50085 1 234 . GLU . 50085 1 235 . ALA . 50085 1 236 . PRO . 50085 1 237 . GLU . 50085 1 238 . PRO . 50085 1 239 . SER . 50085 1 240 . ALA . 50085 1 241 . GLY . 50085 1 242 . ASP . 50085 1 243 . GLY . 50085 1 244 . ALA . 50085 1 245 . ALA . 50085 1 246 . ALA . 50085 1 247 . THR . 50085 1 248 . SER . 50085 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 50085 1 . ALA 2 2 50085 1 . GLN 3 3 50085 1 . ILE 4 4 50085 1 . THR 5 5 50085 1 . GLY 6 6 50085 1 . ARG 7 7 50085 1 . PRO 8 8 50085 1 . GLU 9 9 50085 1 . TRP 10 10 50085 1 . ILE 11 11 50085 1 . TRP 12 12 50085 1 . LEU 13 13 50085 1 . ALA 14 14 50085 1 . LEU 15 15 50085 1 . GLY 16 16 50085 1 . THR 17 17 50085 1 . ALA 18 18 50085 1 . LEU 19 19 50085 1 . MET 20 20 50085 1 . GLY 21 21 50085 1 . LEU 22 22 50085 1 . GLY 23 23 50085 1 . THR 24 24 50085 1 . LEU 25 25 50085 1 . TYR 26 26 50085 1 . PHE 27 27 50085 1 . LEU 28 28 50085 1 . VAL 29 29 50085 1 . LYS 30 30 50085 1 . GLY 31 31 50085 1 . MET 32 32 50085 1 . GLY 33 33 50085 1 . VAL 34 34 50085 1 . SER 35 35 50085 1 . ASP 36 36 50085 1 . PRO 37 37 50085 1 . ASP 38 38 50085 1 . ALA 39 39 50085 1 . LYS 40 40 50085 1 . LYS 41 41 50085 1 . PHE 42 42 50085 1 . TYR 43 43 50085 1 . ALA 44 44 50085 1 . ILE 45 45 50085 1 . THR 46 46 50085 1 . THR 47 47 50085 1 . LEU 48 48 50085 1 . VAL 49 49 50085 1 . PRO 50 50 50085 1 . ALA 51 51 50085 1 . ILE 52 52 50085 1 . ALA 53 53 50085 1 . PHE 54 54 50085 1 . THR 55 55 50085 1 . MET 56 56 50085 1 . TYR 57 57 50085 1 . LEU 58 58 50085 1 . SER 59 59 50085 1 . MET 60 60 50085 1 . LEU 61 61 50085 1 . LEU 62 62 50085 1 . GLY 63 63 50085 1 . TYR 64 64 50085 1 . GLY 65 65 50085 1 . LEU 66 66 50085 1 . THR 67 67 50085 1 . MET 68 68 50085 1 . VAL 69 69 50085 1 . PRO 70 70 50085 1 . PHE 71 71 50085 1 . GLY 72 72 50085 1 . GLY 73 73 50085 1 . GLU 74 74 50085 1 . GLN 75 75 50085 1 . ASN 76 76 50085 1 . PRO 77 77 50085 1 . ILE 78 78 50085 1 . TYR 79 79 50085 1 . TRP 80 80 50085 1 . ALA 81 81 50085 1 . ARG 82 82 50085 1 . TYR 83 83 50085 1 . ALA 84 84 50085 1 . ASP 85 85 50085 1 . TRP 86 86 50085 1 . LEU 87 87 50085 1 . PHE 88 88 50085 1 . THR 89 89 50085 1 . THR 90 90 50085 1 . PRO 91 91 50085 1 . LEU 92 92 50085 1 . LEU 93 93 50085 1 . LEU 94 94 50085 1 . LEU 95 95 50085 1 . ASP 96 96 50085 1 . LEU 97 97 50085 1 . ALA 98 98 50085 1 . LEU 99 99 50085 1 . LEU 100 100 50085 1 . VAL 101 101 50085 1 . ASP 102 102 50085 1 . ALA 103 103 50085 1 . ASP 104 104 50085 1 . GLN 105 105 50085 1 . GLY 106 106 50085 1 . THR 107 107 50085 1 . ILE 108 108 50085 1 . LEU 109 109 50085 1 . ALA 110 110 50085 1 . LEU 111 111 50085 1 . VAL 112 112 50085 1 . GLY 113 113 50085 1 . ALA 114 114 50085 1 . ASP 115 115 50085 1 . GLY 116 116 50085 1 . ILE 117 117 50085 1 . MET 118 118 50085 1 . ILE 119 119 50085 1 . GLY 120 120 50085 1 . THR 121 121 50085 1 . GLY 122 122 50085 1 . LEU 123 123 50085 1 . VAL 124 124 50085 1 . GLY 125 125 50085 1 . ALA 126 126 50085 1 . LEU 127 127 50085 1 . THR 128 128 50085 1 . LYS 129 129 50085 1 . VAL 130 130 50085 1 . TYR 131 131 50085 1 . SER 132 132 50085 1 . TYR 133 133 50085 1 . ARG 134 134 50085 1 . PHE 135 135 50085 1 . VAL 136 136 50085 1 . TRP 137 137 50085 1 . TRP 138 138 50085 1 . ALA 139 139 50085 1 . ILE 140 140 50085 1 . SER 141 141 50085 1 . THR 142 142 50085 1 . ALA 143 143 50085 1 . ALA 144 144 50085 1 . MET 145 145 50085 1 . LEU 146 146 50085 1 . TYR 147 147 50085 1 . ILE 148 148 50085 1 . LEU 149 149 50085 1 . TYR 150 150 50085 1 . VAL 151 151 50085 1 . LEU 152 152 50085 1 . PHE 153 153 50085 1 . PHE 154 154 50085 1 . GLY 155 155 50085 1 . PHE 156 156 50085 1 . THR 157 157 50085 1 . SER 158 158 50085 1 . LEU 159 159 50085 1 . ALA 160 160 50085 1 . GLU 161 161 50085 1 . SER 162 162 50085 1 . MET 163 163 50085 1 . ARG 164 164 50085 1 . PRO 165 165 50085 1 . GLU 166 166 50085 1 . VAL 167 167 50085 1 . ALA 168 168 50085 1 . SER 169 169 50085 1 . THR 170 170 50085 1 . PHE 171 171 50085 1 . LYS 172 172 50085 1 . VAL 173 173 50085 1 . LEU 174 174 50085 1 . ARG 175 175 50085 1 . ASN 176 176 50085 1 . VAL 177 177 50085 1 . THR 178 178 50085 1 . VAL 179 179 50085 1 . VAL 180 180 50085 1 . LEU 181 181 50085 1 . TRP 182 182 50085 1 . SER 183 183 50085 1 . ALA 184 184 50085 1 . TYR 185 185 50085 1 . PRO 186 186 50085 1 . VAL 187 187 50085 1 . VAL 188 188 50085 1 . TRP 189 189 50085 1 . LEU 190 190 50085 1 . ILE 191 191 50085 1 . GLY 192 192 50085 1 . SER 193 193 50085 1 . GLU 194 194 50085 1 . GLY 195 195 50085 1 . ALA 196 196 50085 1 . GLY 197 197 50085 1 . ILE 198 198 50085 1 . VAL 199 199 50085 1 . PRO 200 200 50085 1 . LEU 201 201 50085 1 . ASN 202 202 50085 1 . ILE 203 203 50085 1 . GLU 204 204 50085 1 . THR 205 205 50085 1 . LEU 206 206 50085 1 . LEU 207 207 50085 1 . PHE 208 208 50085 1 . MET 209 209 50085 1 . VAL 210 210 50085 1 . LEU 211 211 50085 1 . ASP 212 212 50085 1 . VAL 213 213 50085 1 . SER 214 214 50085 1 . ALA 215 215 50085 1 . LYS 216 216 50085 1 . VAL 217 217 50085 1 . GLY 218 218 50085 1 . PHE 219 219 50085 1 . GLY 220 220 50085 1 . LEU 221 221 50085 1 . ILE 222 222 50085 1 . LEU 223 223 50085 1 . LEU 224 224 50085 1 . ARG 225 225 50085 1 . SER 226 226 50085 1 . ARG 227 227 50085 1 . ALA 228 228 50085 1 . ILE 229 229 50085 1 . PHE 230 230 50085 1 . GLY 231 231 50085 1 . GLU 232 232 50085 1 . ALA 233 233 50085 1 . GLU 234 234 50085 1 . ALA 235 235 50085 1 . PRO 236 236 50085 1 . GLU 237 237 50085 1 . PRO 238 238 50085 1 . SER 239 239 50085 1 . ALA 240 240 50085 1 . GLY 241 241 50085 1 . ASP 242 242 50085 1 . GLY 243 243 50085 1 . ALA 244 244 50085 1 . ALA 245 245 50085 1 . ALA 246 246 50085 1 . THR 247 247 50085 1 . SER 248 248 50085 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50085 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2242 organism . 'Halobacterium salinarum' 'Halobacterium salinarum' . . Archaea . Halobacterium salinarum . . . . . . . . . . . . . 50085 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50085 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'native organism' 'Halobacterium salinarum' . . . Halobacterium salinarum . . . . . . . . . . 50085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50085 _Sample.ID 1 _Sample.Name . _Sample.Type solid-state _Sample.Sub_type . _Sample.Details 'purple membranes' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 bacteriorhodopsin DCN . . 1 $entity_1 . . 10 . . mM . . . . 50085 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50085 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'purple membranes' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 50085 1 temperature 290 . K 50085 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50085 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details ; The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CcpNMR . . 50085 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50085 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50085 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50085 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50085 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50085 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50085 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50085 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50085 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; RSB (BR555), 13.22, 173.51 RSB (BR568), 12.24, 165.42 13.22 ppm is the 1H chemical shift of the retinal Schiff base proton in the BR555 state (13-cis,15-syn retinal configuration) of bacteriorhodopsin. 173.51 ppm is the 15N chemical shift of the retinal Schiff base nitrogen in the BR555 state (13-cis,15-syn retinal configuration) of bacteriorhodopsin. 12.24 ppm is the 1H chemical shift of the retinal Schiff base proton in the BR568 state (13-trans,15-anti retinal configuration) of bacteriorhodopsin. 165.42 ppm is the 15N chemical shift of the retinal Schiff base nitrogen in the BR568 state (13-trans,15-anti retinal configuration) of bacteriorhodopsin. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50085 1 2 '2D 1H-13C HSQC' . . . 50085 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 39 39 ALA H H 1 8.03 . . 1 . . . . . 39 A H . 50085 1 2 . 1 . 1 39 39 ALA N N 15 123.75 . . 1 . . . . . 39 A N . 50085 1 3 . 1 . 1 40 40 LYS H H 1 8.52 . . 1 . . . . . 40 K H . 50085 1 4 . 1 . 1 40 40 LYS N N 15 116.11 . . 1 . . . . . 40 K N . 50085 1 5 . 1 . 1 41 41 LYS H H 1 7.29 . . 1 . . . . . 41 K H . 50085 1 6 . 1 . 1 41 41 LYS N N 15 117.73 . . 1 . . . . . 41 K N . 50085 1 7 . 1 . 1 42 42 PHE H H 1 7.15 . . 1 . . . . . 42 F H . 50085 1 8 . 1 . 1 42 42 PHE N N 15 115.03 . . 1 . . . . . 42 F N . 50085 1 9 . 1 . 1 43 43 TYR H H 1 8.88 . . 1 . . . . . 43 Y H . 50085 1 10 . 1 . 1 43 43 TYR N N 15 120.67 . . 1 . . . . . 43 Y N . 50085 1 11 . 1 . 1 44 44 ALA H H 1 8.18 . . 1 . . . . . 44 A H . 50085 1 12 . 1 . 1 44 44 ALA N N 15 123.61 . . 1 . . . . . 44 A N . 50085 1 13 . 1 . 1 45 45 ILE H H 1 7.76 . . 1 . . . . . 45 I H . 50085 1 14 . 1 . 1 45 45 ILE N N 15 114.42 . . 1 . . . . . 45 I N . 50085 1 15 . 1 . 1 71 71 PHE H H 1 7.58 . . 1 . . . . . 71 F H . 50085 1 16 . 1 . 1 71 71 PHE N N 15 114.01 . . 1 . . . . . 71 F N . 50085 1 17 . 1 . 1 72 72 GLY H H 1 9.52 . . 1 . . . . . 72 G H . 50085 1 18 . 1 . 1 72 72 GLY N N 15 109.69 . . 1 . . . . . 72 G N . 50085 1 19 . 1 . 1 73 73 GLY H H 1 8.55 . . 1 . . . . . 73 G H . 50085 1 20 . 1 . 1 73 73 GLY N N 15 105.85 . . 1 . . . . . 73 G N . 50085 1 21 . 1 . 1 74 74 GLU H H 1 7.15 . . 1 . . . . . 74 E H . 50085 1 22 . 1 . 1 74 74 GLU N N 15 117.72 . . 1 . . . . . 74 E N . 50085 1 23 . 1 . 1 75 75 GLN H H 1 8.43 . . 1 . . . . . 75 Q H . 50085 1 24 . 1 . 1 75 75 GLN N N 15 118.83 . . 1 . . . . . 75 Q N . 50085 1 25 . 1 . 1 76 76 ASN H H 1 7.78 . . 1 . . . . . 76 N H . 50085 1 26 . 1 . 1 76 76 ASN N N 15 122.48 . . 1 . . . . . 76 N N . 50085 1 27 . 1 . 1 78 78 ILE H H 1 8.75 . . 1 . . . . . 78 I H . 50085 1 28 . 1 . 1 78 78 ILE N N 15 125.88 . . 1 . . . . . 78 I N . 50085 1 29 . 1 . 1 79 79 TYR H H 1 8.45 . . 1 . . . . . 79 Y H . 50085 1 30 . 1 . 1 79 79 TYR N N 15 127.51 . . 1 . . . . . 79 Y N . 50085 1 31 . 1 . 1 80 80 TRP H H 1 7.32 . . 1 . . . . . 80 W H . 50085 1 32 . 1 . 1 80 80 TRP N N 15 125.03 . . 1 . . . . . 80 W N . 50085 1 33 . 1 . 1 81 81 ALA H H 1 6.26 . . 1 . . . . . 81 A H . 50085 1 34 . 1 . 1 81 81 ALA N N 15 124.23 . . 1 . . . . . 81 A N . 50085 1 35 . 1 . 1 82 82 ARG HE H 1 6.24 . . 1 . . . . . 82 R HE . 50085 1 36 . 1 . 1 82 82 ARG NE N 15 77.65 . . 1 . . . . . 82 R NE . 50085 1 37 . 1 . 1 85 85 ASP HD2 H 1 12.12 . . 1 . . . . . 85 D HD2 . 50085 1 38 . 1 . 1 85 85 ASP CG C 13 169.68 . . 1 . . . . . 85 D CG . 50085 1 39 . 1 . 1 96 96 ASP HD2 H 1 11.04 . . 1 . . . . . 96 D HD2 . 50085 1 40 . 1 . 1 96 96 ASP CG C 13 170.78 . . 1 . . . . . 96 D CG . 50085 1 41 . 1 . 1 106 106 GLY H H 1 8.93 . . 1 . . . . . 106 G H . 50085 1 42 . 1 . 1 106 106 GLY N N 15 104.83 . . 1 . . . . . 106 G N . 50085 1 43 . 1 . 1 107 107 THR H H 1 7.34 . . 1 . . . . . 107 T H . 50085 1 44 . 1 . 1 107 107 THR N N 15 118.08 . . 1 . . . . . 107 T N . 50085 1 45 . 1 . 1 108 108 ILE H H 1 7.7 . . 1 . . . . . 108 I H . 50085 1 46 . 1 . 1 108 108 ILE N N 15 119.36 . . 1 . . . . . 108 I N . 50085 1 47 . 1 . 1 109 109 LEU H H 1 8.05 . . 1 . . . . . 109 L H . 50085 1 48 . 1 . 1 109 109 LEU N N 15 118.66 . . 1 . . . . . 109 L N . 50085 1 49 . 1 . 1 110 110 ALA H H 1 7.71 . . 1 . . . . . 110 A H . 50085 1 50 . 1 . 1 110 110 ALA N N 15 118.65 . . 1 . . . . . 110 A N . 50085 1 51 . 1 . 1 128 128 THR H H 1 7.3 . . 1 . . . . . 128 T H . 50085 1 52 . 1 . 1 128 128 THR N N 15 118.23 . . 1 . . . . . 128 T N . 50085 1 53 . 1 . 1 129 129 LYS H H 1 8.84 . . 1 . . . . . 129 K H . 50085 1 54 . 1 . 1 129 129 LYS N N 15 118.8 . . 1 . . . . . 129 K N . 50085 1 55 . 1 . 1 130 130 VAL H H 1 7.75 . . 1 . . . . . 130 V H . 50085 1 56 . 1 . 1 130 130 VAL N N 15 117.19 . . 1 . . . . . 130 V N . 50085 1 57 . 1 . 1 131 131 TYR H H 1 8.74 . . 1 . . . . . 131 Y H . 50085 1 58 . 1 . 1 131 131 TYR N N 15 128.38 . . 1 . . . . . 131 Y N . 50085 1 59 . 1 . 1 132 132 SER H H 1 8.7 . . 1 . . . . . 132 S H . 50085 1 60 . 1 . 1 132 132 SER N N 15 109.94 . . 1 . . . . . 132 S N . 50085 1 61 . 1 . 1 166 166 GLU H H 1 9.75 . . 1 . . . . . 166 E H . 50085 1 62 . 1 . 1 166 166 GLU N N 15 116.24 . . 1 . . . . . 166 E N . 50085 1 63 . 1 . 1 167 167 VAL H H 1 7.3 . . 1 . . . . . 167 V H . 50085 1 64 . 1 . 1 167 167 VAL N N 15 120.5 . . 1 . . . . . 167 V N . 50085 1 65 . 1 . 1 168 168 ALA H H 1 7.65 . . 1 . . . . . 168 A H . 50085 1 66 . 1 . 1 168 168 ALA N N 15 121.12 . . 1 . . . . . 168 A N . 50085 1 67 . 1 . 1 169 169 SER H H 1 8.36 . . 1 . . . . . 169 S H . 50085 1 68 . 1 . 1 169 169 SER N N 15 110.87 . . 1 . . . . . 169 S N . 50085 1 69 . 1 . 1 170 170 THR H H 1 7.23 . . 1 . . . . . 170 T H . 50085 1 70 . 1 . 1 170 170 THR N N 15 118.66 . . 1 . . . . . 170 T N . 50085 1 71 . 1 . 1 195 195 GLY H H 1 6.67 . . 1 . . . . . 195 G H . 50085 1 72 . 1 . 1 195 195 GLY N N 15 105.91 . . 1 . . . . . 195 G N . 50085 1 73 . 1 . 1 196 196 ALA H H 1 9.53 . . 1 . . . . . 196 A H . 50085 1 74 . 1 . 1 196 196 ALA N N 15 129.23 . . 1 . . . . . 196 A N . 50085 1 75 . 1 . 1 197 197 GLY H H 1 8.28 . . 1 . . . . . 197 G H . 50085 1 76 . 1 . 1 197 197 GLY N N 15 106.46 . . 1 . . . . . 197 G N . 50085 1 77 . 1 . 1 203 203 ILE H H 1 6.73 . . 1 . . . . . 203 I H . 50085 1 78 . 1 . 1 203 203 ILE N N 15 118.98 . . 1 . . . . . 203 I N . 50085 1 79 . 1 . 1 204 204 GLU H H 1 8.59 . . 1 . . . . . 204 E H . 50085 1 80 . 1 . 1 204 204 GLU N N 15 120.94 . . 1 . . . . . 204 E N . 50085 1 81 . 1 . 1 205 205 THR H H 1 8.31 . . 1 . . . . . 205 T H . 50085 1 82 . 1 . 1 205 205 THR N N 15 113.2 . . 1 . . . . . 205 T N . 50085 1 83 . 1 . 1 206 206 LEU H H 1 7.07 . . 1 . . . . . 206 L H . 50085 1 84 . 1 . 1 206 206 LEU N N 15 126.45 . . 1 . . . . . 206 L N . 50085 1 85 . 1 . 1 207 207 LEU H H 1 7.55 . . 1 . . . . . 207 L H . 50085 1 86 . 1 . 1 207 207 LEU N N 15 121.23 . . 1 . . . . . 207 L N . 50085 1 87 . 1 . 1 208 208 PHE H H 1 9.23 . . 1 . . . . . 208 F H . 50085 1 88 . 1 . 1 208 208 PHE N N 15 125.72 . . 1 . . . . . 208 F N . 50085 1 stop_ save_