data_27059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27059 _Entry.Title ; 15N, 13C assignments of Leptosphaeria Rhodopsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-29 _Entry.Accession_date 2017-03-29 _Entry.Last_release_date 2017-03-29 _Entry.Original_release_date 2017-03-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _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 Jing Liu . . . . 27059 2 Chang Liu . . . . 27059 3 Shenlin Wang . . . . 27059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 566 27059 '15N chemical shifts' 147 27059 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 1 . . 2021-07-22 . original BMRB . 27059 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27059 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28560567 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Gd 3+-chelated lipid accelerates solid-state NMR spectroscopy of seven-transmembrane proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 68 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 203 _Citation.Page_last 214 _Citation.Year 2017 _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 Chang Liu C. . . . 27059 1 2 Jing Liu J. . . . 27059 1 3 Xiaojun Xu X. . . . 27059 1 4 ShengQi Xiang S. . . . 27059 1 5 Shenlin Wang S. . . . 27059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27059 _Assembly.ID 1 _Assembly.Name LR-retinal _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 LR-retinal 1 $LR A . yes native no no . . . 27059 1 2 retinal 2 $entity_RET B . no native no no . . . 27059 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 LYS 270 270 NE . 2 . 2 RET 1 1 NA . LR . 270 LYS NE . retinal . NA NA NA 27059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LR _Entity.Sf_category entity _Entity.Sf_framecode LR _Entity.Entry_ID 27059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIVDQFEEVLMKTSQLFPLP TATQSAQPTHVAPVPTVLPD TPIYETVGDSGSKTLWVVFV LMLIASAAFTALSWKIPVNR RLYHVITTIITLTAALSYFA MATGHGVALNKIVIRTQHDH VPDTYETVYRQVYYARYIDW AITTPLLLLDLGLLAGMSGA HIFMAIVADLIMVLTGLFAA FGSEGTPQKWGWYTIACIAY IFVVWHLVLNGGANARVKGE KLRSFFVAIGAYTLILWTAY PIVWGLADGARKIGVDGEII AYAVLDVLAKGVFGAWLLVT HANLRESDVELNGFWANGLN REGAIRIGEDDGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 49,d _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 313 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . MET . 27059 1 2 . ILE . 27059 1 3 . VAL . 27059 1 4 . ASP . 27059 1 5 . GLN . 27059 1 6 . PHE . 27059 1 7 . GLU . 27059 1 8 . GLU . 27059 1 9 . VAL . 27059 1 10 . LEU . 27059 1 11 . MET . 27059 1 12 . LYS . 27059 1 13 . THR . 27059 1 14 . SER . 27059 1 15 . GLN . 27059 1 16 . LEU . 27059 1 17 . PHE . 27059 1 18 . PRO . 27059 1 19 . LEU . 27059 1 20 . PRO . 27059 1 21 . THR . 27059 1 22 . ALA . 27059 1 23 . THR . 27059 1 24 . GLN . 27059 1 25 . SER . 27059 1 26 . ALA . 27059 1 27 . GLN . 27059 1 28 . PRO . 27059 1 29 . THR . 27059 1 30 . HIS . 27059 1 31 . VAL . 27059 1 32 . ALA . 27059 1 33 . PRO . 27059 1 34 . VAL . 27059 1 35 . PRO . 27059 1 36 . THR . 27059 1 37 . VAL . 27059 1 38 . LEU . 27059 1 39 . PRO . 27059 1 40 . ASP . 27059 1 41 . THR . 27059 1 42 . PRO . 27059 1 43 . ILE . 27059 1 44 . TYR . 27059 1 45 . GLU . 27059 1 46 . THR . 27059 1 47 . VAL . 27059 1 48 . GLY . 27059 1 49 . ASP . 27059 1 50 . SER . 27059 1 51 . GLY . 27059 1 52 . SER . 27059 1 53 . LYS . 27059 1 54 . THR . 27059 1 55 . LEU . 27059 1 56 . TRP . 27059 1 57 . VAL . 27059 1 58 . VAL . 27059 1 59 . PHE . 27059 1 60 . VAL . 27059 1 61 . LEU . 27059 1 62 . MET . 27059 1 63 . LEU . 27059 1 64 . ILE . 27059 1 65 . ALA . 27059 1 66 . SER . 27059 1 67 . ALA . 27059 1 68 . ALA . 27059 1 69 . PHE . 27059 1 70 . THR . 27059 1 71 . ALA . 27059 1 72 . LEU . 27059 1 73 . SER . 27059 1 74 . TRP . 27059 1 75 . LYS . 27059 1 76 . ILE . 27059 1 77 . PRO . 27059 1 78 . VAL . 27059 1 79 . ASN . 27059 1 80 . ARG . 27059 1 81 . ARG . 27059 1 82 . LEU . 27059 1 83 . TYR . 27059 1 84 . HIS . 27059 1 85 . VAL . 27059 1 86 . ILE . 27059 1 87 . THR . 27059 1 88 . THR . 27059 1 89 . ILE . 27059 1 90 . ILE . 27059 1 91 . THR . 27059 1 92 . LEU . 27059 1 93 . THR . 27059 1 94 . ALA . 27059 1 95 . ALA . 27059 1 96 . LEU . 27059 1 97 . SER . 27059 1 98 . TYR . 27059 1 99 . PHE . 27059 1 100 . ALA . 27059 1 101 . MET . 27059 1 102 . ALA . 27059 1 103 . THR . 27059 1 104 . GLY . 27059 1 105 . HIS . 27059 1 106 . GLY . 27059 1 107 . VAL . 27059 1 108 . ALA . 27059 1 109 . LEU . 27059 1 110 . ASN . 27059 1 111 . LYS . 27059 1 112 . ILE . 27059 1 113 . VAL . 27059 1 114 . ILE . 27059 1 115 . ARG . 27059 1 116 . THR . 27059 1 117 . GLN . 27059 1 118 . HIS . 27059 1 119 . ASP . 27059 1 120 . HIS . 27059 1 121 . VAL . 27059 1 122 . PRO . 27059 1 123 . ASP . 27059 1 124 . THR . 27059 1 125 . TYR . 27059 1 126 . GLU . 27059 1 127 . THR . 27059 1 128 . VAL . 27059 1 129 . TYR . 27059 1 130 . ARG . 27059 1 131 . GLN . 27059 1 132 . VAL . 27059 1 133 . TYR . 27059 1 134 . TYR . 27059 1 135 . ALA . 27059 1 136 . ARG . 27059 1 137 . TYR . 27059 1 138 . ILE . 27059 1 139 . ASP . 27059 1 140 . TRP . 27059 1 141 . ALA . 27059 1 142 . ILE . 27059 1 143 . THR . 27059 1 144 . THR . 27059 1 145 . PRO . 27059 1 146 . LEU . 27059 1 147 . LEU . 27059 1 148 . LEU . 27059 1 149 . LEU . 27059 1 150 . ASP . 27059 1 151 . LEU . 27059 1 152 . GLY . 27059 1 153 . LEU . 27059 1 154 . LEU . 27059 1 155 . ALA . 27059 1 156 . GLY . 27059 1 157 . MET . 27059 1 158 . SER . 27059 1 159 . GLY . 27059 1 160 . ALA . 27059 1 161 . HIS . 27059 1 162 . ILE . 27059 1 163 . PHE . 27059 1 164 . MET . 27059 1 165 . ALA . 27059 1 166 . ILE . 27059 1 167 . VAL . 27059 1 168 . ALA . 27059 1 169 . ASP . 27059 1 170 . LEU . 27059 1 171 . ILE . 27059 1 172 . MET . 27059 1 173 . VAL . 27059 1 174 . LEU . 27059 1 175 . THR . 27059 1 176 . GLY . 27059 1 177 . LEU . 27059 1 178 . PHE . 27059 1 179 . ALA . 27059 1 180 . ALA . 27059 1 181 . PHE . 27059 1 182 . GLY . 27059 1 183 . SER . 27059 1 184 . GLU . 27059 1 185 . GLY . 27059 1 186 . THR . 27059 1 187 . PRO . 27059 1 188 . GLN . 27059 1 189 . LYS . 27059 1 190 . TRP . 27059 1 191 . GLY . 27059 1 192 . TRP . 27059 1 193 . TYR . 27059 1 194 . THR . 27059 1 195 . ILE . 27059 1 196 . ALA . 27059 1 197 . CYS . 27059 1 198 . ILE . 27059 1 199 . ALA . 27059 1 200 . TYR . 27059 1 201 . ILE . 27059 1 202 . PHE . 27059 1 203 . VAL . 27059 1 204 . VAL . 27059 1 205 . TRP . 27059 1 206 . HIS . 27059 1 207 . LEU . 27059 1 208 . VAL . 27059 1 209 . LEU . 27059 1 210 . ASN . 27059 1 211 . GLY . 27059 1 212 . GLY . 27059 1 213 . ALA . 27059 1 214 . ASN . 27059 1 215 . ALA . 27059 1 216 . ARG . 27059 1 217 . VAL . 27059 1 218 . LYS . 27059 1 219 . GLY . 27059 1 220 . GLU . 27059 1 221 . LYS . 27059 1 222 . LEU . 27059 1 223 . ARG . 27059 1 224 . SER . 27059 1 225 . PHE . 27059 1 226 . PHE . 27059 1 227 . VAL . 27059 1 228 . ALA . 27059 1 229 . ILE . 27059 1 230 . GLY . 27059 1 231 . ALA . 27059 1 232 . TYR . 27059 1 233 . THR . 27059 1 234 . LEU . 27059 1 235 . ILE . 27059 1 236 . LEU . 27059 1 237 . TRP . 27059 1 238 . THR . 27059 1 239 . ALA . 27059 1 240 . TYR . 27059 1 241 . PRO . 27059 1 242 . ILE . 27059 1 243 . VAL . 27059 1 244 . TRP . 27059 1 245 . GLY . 27059 1 246 . LEU . 27059 1 247 . ALA . 27059 1 248 . ASP . 27059 1 249 . GLY . 27059 1 250 . ALA . 27059 1 251 . ARG . 27059 1 252 . LYS . 27059 1 253 . ILE . 27059 1 254 . GLY . 27059 1 255 . VAL . 27059 1 256 . ASP . 27059 1 257 . GLY . 27059 1 258 . GLU . 27059 1 259 . ILE . 27059 1 260 . ILE . 27059 1 261 . ALA . 27059 1 262 . TYR . 27059 1 263 . ALA . 27059 1 264 . VAL . 27059 1 265 . LEU . 27059 1 266 . ASP . 27059 1 267 . VAL . 27059 1 268 . LEU . 27059 1 269 . ALA . 27059 1 270 . LYS . 27059 1 271 . GLY . 27059 1 272 . VAL . 27059 1 273 . PHE . 27059 1 274 . GLY . 27059 1 275 . ALA . 27059 1 276 . TRP . 27059 1 277 . LEU . 27059 1 278 . LEU . 27059 1 279 . VAL . 27059 1 280 . THR . 27059 1 281 . HIS . 27059 1 282 . ALA . 27059 1 283 . ASN . 27059 1 284 . LEU . 27059 1 285 . ARG . 27059 1 286 . GLU . 27059 1 287 . SER . 27059 1 288 . ASP . 27059 1 289 . VAL . 27059 1 290 . GLU . 27059 1 291 . LEU . 27059 1 292 . ASN . 27059 1 293 . GLY . 27059 1 294 . PHE . 27059 1 295 . TRP . 27059 1 296 . ALA . 27059 1 297 . ASN . 27059 1 298 . GLY . 27059 1 299 . LEU . 27059 1 300 . ASN . 27059 1 301 . ARG . 27059 1 302 . GLU . 27059 1 303 . GLY . 27059 1 304 . ALA . 27059 1 305 . ILE . 27059 1 306 . ARG . 27059 1 307 . ILE . 27059 1 308 . GLY . 27059 1 309 . GLU . 27059 1 310 . ASP . 27059 1 311 . ASP . 27059 1 312 . GLY . 27059 1 313 . ALA . 27059 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 . MET 1 1 27059 1 . ILE 2 2 27059 1 . VAL 3 3 27059 1 . ASP 4 4 27059 1 . GLN 5 5 27059 1 . PHE 6 6 27059 1 . GLU 7 7 27059 1 . GLU 8 8 27059 1 . VAL 9 9 27059 1 . LEU 10 10 27059 1 . MET 11 11 27059 1 . LYS 12 12 27059 1 . THR 13 13 27059 1 . SER 14 14 27059 1 . GLN 15 15 27059 1 . LEU 16 16 27059 1 . PHE 17 17 27059 1 . PRO 18 18 27059 1 . LEU 19 19 27059 1 . PRO 20 20 27059 1 . THR 21 21 27059 1 . ALA 22 22 27059 1 . THR 23 23 27059 1 . GLN 24 24 27059 1 . SER 25 25 27059 1 . ALA 26 26 27059 1 . GLN 27 27 27059 1 . PRO 28 28 27059 1 . THR 29 29 27059 1 . HIS 30 30 27059 1 . VAL 31 31 27059 1 . ALA 32 32 27059 1 . PRO 33 33 27059 1 . VAL 34 34 27059 1 . PRO 35 35 27059 1 . THR 36 36 27059 1 . VAL 37 37 27059 1 . LEU 38 38 27059 1 . PRO 39 39 27059 1 . ASP 40 40 27059 1 . THR 41 41 27059 1 . PRO 42 42 27059 1 . ILE 43 43 27059 1 . TYR 44 44 27059 1 . GLU 45 45 27059 1 . THR 46 46 27059 1 . VAL 47 47 27059 1 . GLY 48 48 27059 1 . ASP 49 49 27059 1 . SER 50 50 27059 1 . GLY 51 51 27059 1 . SER 52 52 27059 1 . LYS 53 53 27059 1 . THR 54 54 27059 1 . LEU 55 55 27059 1 . TRP 56 56 27059 1 . VAL 57 57 27059 1 . VAL 58 58 27059 1 . PHE 59 59 27059 1 . VAL 60 60 27059 1 . LEU 61 61 27059 1 . MET 62 62 27059 1 . LEU 63 63 27059 1 . ILE 64 64 27059 1 . ALA 65 65 27059 1 . SER 66 66 27059 1 . ALA 67 67 27059 1 . ALA 68 68 27059 1 . PHE 69 69 27059 1 . THR 70 70 27059 1 . ALA 71 71 27059 1 . LEU 72 72 27059 1 . SER 73 73 27059 1 . TRP 74 74 27059 1 . LYS 75 75 27059 1 . ILE 76 76 27059 1 . PRO 77 77 27059 1 . VAL 78 78 27059 1 . ASN 79 79 27059 1 . ARG 80 80 27059 1 . ARG 81 81 27059 1 . LEU 82 82 27059 1 . TYR 83 83 27059 1 . HIS 84 84 27059 1 . VAL 85 85 27059 1 . ILE 86 86 27059 1 . THR 87 87 27059 1 . THR 88 88 27059 1 . ILE 89 89 27059 1 . ILE 90 90 27059 1 . THR 91 91 27059 1 . LEU 92 92 27059 1 . THR 93 93 27059 1 . ALA 94 94 27059 1 . ALA 95 95 27059 1 . LEU 96 96 27059 1 . SER 97 97 27059 1 . TYR 98 98 27059 1 . PHE 99 99 27059 1 . ALA 100 100 27059 1 . MET 101 101 27059 1 . ALA 102 102 27059 1 . THR 103 103 27059 1 . GLY 104 104 27059 1 . HIS 105 105 27059 1 . GLY 106 106 27059 1 . VAL 107 107 27059 1 . ALA 108 108 27059 1 . LEU 109 109 27059 1 . ASN 110 110 27059 1 . LYS 111 111 27059 1 . ILE 112 112 27059 1 . VAL 113 113 27059 1 . ILE 114 114 27059 1 . ARG 115 115 27059 1 . THR 116 116 27059 1 . GLN 117 117 27059 1 . HIS 118 118 27059 1 . ASP 119 119 27059 1 . HIS 120 120 27059 1 . VAL 121 121 27059 1 . PRO 122 122 27059 1 . ASP 123 123 27059 1 . THR 124 124 27059 1 . TYR 125 125 27059 1 . GLU 126 126 27059 1 . THR 127 127 27059 1 . VAL 128 128 27059 1 . TYR 129 129 27059 1 . ARG 130 130 27059 1 . GLN 131 131 27059 1 . VAL 132 132 27059 1 . TYR 133 133 27059 1 . TYR 134 134 27059 1 . ALA 135 135 27059 1 . ARG 136 136 27059 1 . TYR 137 137 27059 1 . ILE 138 138 27059 1 . ASP 139 139 27059 1 . TRP 140 140 27059 1 . ALA 141 141 27059 1 . ILE 142 142 27059 1 . THR 143 143 27059 1 . THR 144 144 27059 1 . PRO 145 145 27059 1 . LEU 146 146 27059 1 . LEU 147 147 27059 1 . LEU 148 148 27059 1 . LEU 149 149 27059 1 . ASP 150 150 27059 1 . LEU 151 151 27059 1 . GLY 152 152 27059 1 . LEU 153 153 27059 1 . LEU 154 154 27059 1 . ALA 155 155 27059 1 . GLY 156 156 27059 1 . MET 157 157 27059 1 . SER 158 158 27059 1 . GLY 159 159 27059 1 . ALA 160 160 27059 1 . HIS 161 161 27059 1 . ILE 162 162 27059 1 . PHE 163 163 27059 1 . MET 164 164 27059 1 . ALA 165 165 27059 1 . ILE 166 166 27059 1 . VAL 167 167 27059 1 . ALA 168 168 27059 1 . ASP 169 169 27059 1 . LEU 170 170 27059 1 . ILE 171 171 27059 1 . MET 172 172 27059 1 . VAL 173 173 27059 1 . LEU 174 174 27059 1 . THR 175 175 27059 1 . GLY 176 176 27059 1 . LEU 177 177 27059 1 . PHE 178 178 27059 1 . ALA 179 179 27059 1 . ALA 180 180 27059 1 . PHE 181 181 27059 1 . GLY 182 182 27059 1 . SER 183 183 27059 1 . GLU 184 184 27059 1 . GLY 185 185 27059 1 . THR 186 186 27059 1 . PRO 187 187 27059 1 . GLN 188 188 27059 1 . LYS 189 189 27059 1 . TRP 190 190 27059 1 . GLY 191 191 27059 1 . TRP 192 192 27059 1 . TYR 193 193 27059 1 . THR 194 194 27059 1 . ILE 195 195 27059 1 . ALA 196 196 27059 1 . CYS 197 197 27059 1 . ILE 198 198 27059 1 . ALA 199 199 27059 1 . TYR 200 200 27059 1 . ILE 201 201 27059 1 . PHE 202 202 27059 1 . VAL 203 203 27059 1 . VAL 204 204 27059 1 . TRP 205 205 27059 1 . HIS 206 206 27059 1 . LEU 207 207 27059 1 . VAL 208 208 27059 1 . LEU 209 209 27059 1 . ASN 210 210 27059 1 . GLY 211 211 27059 1 . GLY 212 212 27059 1 . ALA 213 213 27059 1 . ASN 214 214 27059 1 . ALA 215 215 27059 1 . ARG 216 216 27059 1 . VAL 217 217 27059 1 . LYS 218 218 27059 1 . GLY 219 219 27059 1 . GLU 220 220 27059 1 . LYS 221 221 27059 1 . LEU 222 222 27059 1 . ARG 223 223 27059 1 . SER 224 224 27059 1 . PHE 225 225 27059 1 . PHE 226 226 27059 1 . VAL 227 227 27059 1 . ALA 228 228 27059 1 . ILE 229 229 27059 1 . GLY 230 230 27059 1 . ALA 231 231 27059 1 . TYR 232 232 27059 1 . THR 233 233 27059 1 . LEU 234 234 27059 1 . ILE 235 235 27059 1 . LEU 236 236 27059 1 . TRP 237 237 27059 1 . THR 238 238 27059 1 . ALA 239 239 27059 1 . TYR 240 240 27059 1 . PRO 241 241 27059 1 . ILE 242 242 27059 1 . VAL 243 243 27059 1 . TRP 244 244 27059 1 . GLY 245 245 27059 1 . LEU 246 246 27059 1 . ALA 247 247 27059 1 . ASP 248 248 27059 1 . GLY 249 249 27059 1 . ALA 250 250 27059 1 . ARG 251 251 27059 1 . LYS 252 252 27059 1 . ILE 253 253 27059 1 . GLY 254 254 27059 1 . VAL 255 255 27059 1 . ASP 256 256 27059 1 . GLY 257 257 27059 1 . GLU 258 258 27059 1 . ILE 259 259 27059 1 . ILE 260 260 27059 1 . ALA 261 261 27059 1 . TYR 262 262 27059 1 . ALA 263 263 27059 1 . VAL 264 264 27059 1 . LEU 265 265 27059 1 . ASP 266 266 27059 1 . VAL 267 267 27059 1 . LEU 268 268 27059 1 . ALA 269 269 27059 1 . LYS 270 270 27059 1 . GLY 271 271 27059 1 . VAL 272 272 27059 1 . PHE 273 273 27059 1 . GLY 274 274 27059 1 . ALA 275 275 27059 1 . TRP 276 276 27059 1 . LEU 277 277 27059 1 . LEU 278 278 27059 1 . VAL 279 279 27059 1 . THR 280 280 27059 1 . HIS 281 281 27059 1 . ALA 282 282 27059 1 . ASN 283 283 27059 1 . LEU 284 284 27059 1 . ARG 285 285 27059 1 . GLU 286 286 27059 1 . SER 287 287 27059 1 . ASP 288 288 27059 1 . VAL 289 289 27059 1 . GLU 290 290 27059 1 . LEU 291 291 27059 1 . ASN 292 292 27059 1 . GLY 293 293 27059 1 . PHE 294 294 27059 1 . TRP 295 295 27059 1 . ALA 296 296 27059 1 . ASN 297 297 27059 1 . GLY 298 298 27059 1 . LEU 299 299 27059 1 . ASN 300 300 27059 1 . ARG 301 301 27059 1 . GLU 302 302 27059 1 . GLY 303 303 27059 1 . ALA 304 304 27059 1 . ILE 305 305 27059 1 . ARG 306 306 27059 1 . ILE 307 307 27059 1 . GLY 308 308 27059 1 . GLU 309 309 27059 1 . ASP 310 310 27059 1 . ASP 311 311 27059 1 . GLY 312 312 27059 1 . ALA 313 313 27059 1 stop_ save_ save_entity_RET _Entity.Sf_category entity _Entity.Sf_framecode entity_RET _Entity.Entry_ID 27059 _Entity.ID 2 _Entity.BMRB_code RET _Entity.Name entity_RET _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID RET _Entity.Nonpolymer_comp_label $chem_comp_RET _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 284.436 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RETINAL BMRB 27059 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID RETINAL BMRB 27059 2 RET 'Three letter code' 27059 2 stop_ 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 1 RET $chem_comp_RET 27059 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27059 _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 $LR . 5022 organism . 'Leptosphaeria maculans' 'blackleg of rapeseed fungus' . . Eukaryota Fungi Leptosphaeria maculans . . . . . . . . . . . . . 27059 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27059 _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 $LR . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . pPICZaA . . . 27059 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RET _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RET _Chem_comp.Entry_ID 27059 _Chem_comp.ID RET _Chem_comp.Provenance PDB _Chem_comp.Name RETINAL _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code RET _Chem_comp.PDB_code RET _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RET _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 21 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H28 O' _Chem_comp.Formula_weight 284.436 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1OPB _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.370 27059 RET CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.370 27059 RET CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 27059 RET CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C SMILES 'OpenEye OEToolkits' 1.7.0 27059 RET ; InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ ; InChI InChI 1.03 27059 RET NCYCYZXNIZJOKI-OVSJKPMPSA-N InChIKey InChI 1.03 27059 RET O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C SMILES ACDLabs 12.01 27059 RET stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 27059 RET retinal 'SYSTEMATIC NAME' ACDLabs 12.01 27059 RET stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -5.590 . 13.158 . 53.080 . -4.327 0.909 -0.480 1 . 27059 RET C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -4.929 . 11.803 . 53.442 . -5.466 0.132 -1.143 2 . 27059 RET C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -3.621 . 11.861 . 53.982 . -5.998 -0.901 -0.142 3 . 27059 RET C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -2.648 . 12.661 . 53.187 . -4.921 -1.966 0.075 4 . 27059 RET C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -3.256 . 13.719 . 52.298 . -3.604 -1.314 0.380 5 . 27059 RET C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -4.574 . 14.002 . 52.251 . -3.340 -0.042 0.131 6 . 27059 RET C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -5.044 . 15.082 . 51.321 . -2.051 0.450 0.458 7 . 27059 RET C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -6.101 . 15.895 . 51.358 . -0.944 -0.145 -0.059 8 . 27059 RET C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -6.459 . 16.916 . 50.367 . 0.334 0.315 0.300 9 . 27059 RET C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -7.569 . 17.648 . 50.602 . 1.446 -0.283 -0.220 10 . 27059 RET C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -8.141 . 18.699 . 49.798 . 2.720 0.176 0.138 11 . 27059 RET C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -9.328 . 19.245 . 50.048 . 3.842 -0.427 -0.387 12 . 27059 RET C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -10.012 . 20.306 . 49.302 . 5.115 0.031 -0.030 13 . 27059 RET C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -11.232 . 20.649 . 49.763 . 6.238 -0.573 -0.555 14 . 27059 RET C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -12.134 . 21.659 . 49.229 . 7.510 -0.115 -0.198 15 . 27059 RET O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -13.374 . 21.346 . 48.614 . 8.500 -0.648 -0.661 16 . 27059 RET C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -6.839 . 12.703 . 52.333 . -3.620 1.768 -1.531 17 . 27059 RET C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -6.072 . 13.878 . 54.344 . -4.899 1.816 0.611 18 . 27059 RET C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -2.187 . 14.357 . 51.431 . -2.522 -2.155 1.006 19 . 27059 RET C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -5.585 . 17.081 . 49.160 . 0.478 1.469 1.259 20 . 27059 RET C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . -9.562 . 20.581 . 47.903 . 5.259 1.185 0.929 21 . 27059 RET H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -5.570 . 11.320 . 54.194 . -6.266 0.819 -1.419 22 . 27059 RET H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -4.872 . 11.212 . 52.516 . -5.093 -0.377 -2.032 23 . 27059 RET H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -3.692 . 12.317 . 54.981 . -6.225 -0.411 0.804 24 . 27059 RET H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -3.238 . 10.832 . 54.041 . -6.898 -1.368 -0.542 25 . 27059 RET H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . -1.977 . 13.168 . 53.896 . -5.209 -2.606 0.910 26 . 27059 RET H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . -2.094 . 11.964 . 52.542 . -4.824 -2.572 -0.825 27 . 27059 RET H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -4.407 . 15.228 . 50.461 . -1.949 1.298 1.119 28 . 27059 RET H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -6.762 . 15.791 . 52.206 . -1.047 -0.972 -0.747 29 . 27059 RET H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -8.099 . 17.415 . 51.514 . 1.343 -1.109 -0.908 30 . 27059 RET H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -7.578 . 19.061 . 48.951 . 2.823 1.003 0.825 31 . 27059 RET H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -9.854 . 18.858 . 50.908 . 3.740 -1.254 -1.074 32 . 27059 RET H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -11.581 . 20.110 . 50.632 . 6.135 -1.400 -1.242 33 . 27059 RET H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -11.846 . 22.697 . 49.305 . 7.613 0.712 0.489 34 . 27059 RET H161 H161 H161 H161 . H . . N 0 . . . 0 no no . . . . -7.415 . 13.583 . 52.011 . -4.351 2.401 -2.035 35 . 27059 RET H162 H162 H162 H162 . H . . N 0 . . . 0 no no . . . . -6.545 . 12.115 . 51.451 . -2.872 2.394 -1.045 36 . 27059 RET H163 H163 H163 H163 . H . . N 0 . . . 0 no no . . . . -7.458 . 12.083 . 52.998 . -3.134 1.122 -2.262 37 . 27059 RET H171 H171 H171 H171 . H . . N 0 . . . 0 no no . . . . -6.537 . 14.835 . 54.066 . -5.409 1.209 1.359 38 . 27059 RET H172 H172 H172 H172 . H . . N 0 . . . 0 no no . . . . -6.809 . 13.250 . 54.865 . -4.089 2.371 1.084 39 . 27059 RET H173 H173 H173 H173 . H . . N 0 . . . 0 no no . . . . -5.215 . 14.066 . 55.008 . -5.608 2.516 0.167 40 . 27059 RET H181 H181 H181 H181 . H . . N 0 . . . 0 no no . . . . -2.644 . 15.125 . 50.790 . -2.917 -3.145 1.234 41 . 27059 RET H182 H182 H182 H182 . H . . N 0 . . . 0 no no . . . . -1.424 . 14.822 . 52.073 . -1.686 -2.248 0.312 42 . 27059 RET H183 H183 H183 H183 . H . . N 0 . . . 0 no no . . . . -1.717 . 13.586 . 50.802 . -2.179 -1.681 1.926 43 . 27059 RET H191 H191 H191 H191 . H . . N 0 . . . 0 no no . . . . -5.988 . 17.881 . 48.521 . 0.528 1.089 2.279 44 . 27059 RET H192 H192 H192 H192 . H . . N 0 . . . 0 no no . . . . -4.566 . 17.345 . 49.479 . 1.391 2.019 1.031 45 . 27059 RET H193 H193 H193 H193 . H . . N 0 . . . 0 no no . . . . -5.560 . 16.138 . 48.594 . -0.381 2.133 1.160 46 . 27059 RET H201 H201 H201 H201 . H . . N 0 . . . 0 no no . . . . -10.165 . 21.397 . 47.477 . 5.309 0.805 1.950 47 . 27059 RET H202 H202 H202 H202 . H . . N 0 . . . 0 no no . . . . -8.502 . 20.874 . 47.910 . 6.172 1.735 0.701 48 . 27059 RET H203 H203 H203 H203 . H . . N 0 . . . 0 no no . . . . -9.688 . 19.675 . 47.293 . 4.400 1.849 0.830 49 . 27059 RET stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 27059 RET 2 . SING C1 C6 no N 2 . 27059 RET 3 . SING C1 C16 no N 3 . 27059 RET 4 . SING C1 C17 no N 4 . 27059 RET 5 . SING C2 C3 no N 5 . 27059 RET 6 . SING C2 H21 no N 6 . 27059 RET 7 . SING C2 H22 no N 7 . 27059 RET 8 . SING C3 C4 no N 8 . 27059 RET 9 . SING C3 H31 no N 9 . 27059 RET 10 . SING C3 H32 no N 10 . 27059 RET 11 . SING C4 C5 no N 11 . 27059 RET 12 . SING C4 H41 no N 12 . 27059 RET 13 . SING C4 H42 no N 13 . 27059 RET 14 . DOUB C5 C6 no N 14 . 27059 RET 15 . SING C5 C18 no N 15 . 27059 RET 16 . SING C6 C7 no N 16 . 27059 RET 17 . DOUB C7 C8 no E 17 . 27059 RET 18 . SING C7 H7 no N 18 . 27059 RET 19 . SING C8 C9 no N 19 . 27059 RET 20 . SING C8 H8 no N 20 . 27059 RET 21 . DOUB C9 C10 no E 21 . 27059 RET 22 . SING C9 C19 no N 22 . 27059 RET 23 . SING C10 C11 no N 23 . 27059 RET 24 . SING C10 H10 no N 24 . 27059 RET 25 . DOUB C11 C12 no E 25 . 27059 RET 26 . SING C11 H11 no N 26 . 27059 RET 27 . SING C12 C13 no N 27 . 27059 RET 28 . SING C12 H12 no N 28 . 27059 RET 29 . DOUB C13 C14 no E 29 . 27059 RET 30 . SING C13 C20 no N 30 . 27059 RET 31 . SING C14 C15 no N 31 . 27059 RET 32 . SING C14 H14 no N 32 . 27059 RET 33 . DOUB C15 O1 no N 33 . 27059 RET 34 . SING C15 H15 no N 34 . 27059 RET 35 . SING C16 H161 no N 35 . 27059 RET 36 . SING C16 H162 no N 36 . 27059 RET 37 . SING C16 H163 no N 37 . 27059 RET 38 . SING C17 H171 no N 38 . 27059 RET 39 . SING C17 H172 no N 39 . 27059 RET 40 . SING C17 H173 no N 40 . 27059 RET 41 . SING C18 H181 no N 41 . 27059 RET 42 . SING C18 H182 no N 42 . 27059 RET 43 . SING C18 H183 no N 43 . 27059 RET 44 . SING C19 H191 no N 44 . 27059 RET 45 . SING C19 H192 no N 45 . 27059 RET 46 . SING C19 H193 no N 46 . 27059 RET 47 . SING C20 H201 no N 47 . 27059 RET 48 . SING C20 H202 no N 48 . 27059 RET 49 . SING C20 H203 no N 49 . 27059 RET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27059 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system DMPC/DMPA _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 LR '[U-100% 13C; U-100% 15N]' . . 1 $LR . . . . . '2.5:1 w/w' . . . . 27059 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 27059 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . 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 7.4 . pH 27059 1 pressure 1 . atm 27059 1 temperature 285 . K 27059 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27059 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27059 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27059 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27059 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27059 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27059 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27059 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27059 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27059 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27059 _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 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27059 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27059 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 2 NCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 3 CANCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 4 NCACX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 5 NCOCX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 6 CANCOCX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27059 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27059 _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 0.00 na indirect 0.251449530 . . . . . 27059 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27059 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27059 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 . _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 NCA . . . 27059 1 2 NCO . . . 27059 1 3 CANCO . . . 27059 1 4 NCACX . . . 27059 1 5 NCOCX . . . 27059 1 6 CANCOCX . . . 27059 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 57 57 VAL C C 13 177.300 0.1 . . . . . . . 57 V C . 27059 1 2 . 1 . 1 57 57 VAL CA C 13 67.200 0.1 . . . . . . . 57 V CA . 27059 1 3 . 1 . 1 57 57 VAL CB C 13 31.200 0.1 . . . . . . . 57 V CB . 27059 1 4 . 1 . 1 57 57 VAL CG1 C 13 23.500 0.1 . . . . . . . 57 V CG1 . 27059 1 5 . 1 . 1 57 57 VAL CG2 C 13 21.400 0.1 . . . . . . . 57 V CG2 . 27059 1 6 . 1 . 1 57 57 VAL N N 15 118.000 0.1 . . . . . . . 57 V N . 27059 1 7 . 1 . 1 58 58 VAL C C 13 175.400 0.1 . . . . . . . 58 V C . 27059 1 8 . 1 . 1 58 58 VAL CA C 13 61.600 0.1 . . . . . . . 58 V CA . 27059 1 9 . 1 . 1 58 58 VAL CB C 13 31.300 0.1 . . . . . . . 58 V CB . 27059 1 10 . 1 . 1 58 58 VAL CG1 C 13 20.000 0.1 . . . . . . . 58 V CG1 . 27059 1 11 . 1 . 1 58 58 VAL CG2 C 13 23.600 0.1 . . . . . . . 58 V CG2 . 27059 1 12 . 1 . 1 58 58 VAL N N 15 119.800 0.1 . . . . . . . 58 V N . 27059 1 13 . 1 . 1 59 59 PHE C C 13 176.000 0.1 . . . . . . . 59 F C . 27059 1 14 . 1 . 1 59 59 PHE CA C 13 61.500 0.1 . . . . . . . 59 F CA . 27059 1 15 . 1 . 1 59 59 PHE CB C 13 38.700 0.1 . . . . . . . 59 F CB . 27059 1 16 . 1 . 1 59 59 PHE N N 15 118.500 0.1 . . . . . . . 59 F N . 27059 1 17 . 1 . 1 60 60 VAL C C 13 177.700 0.1 . . . . . . . 60 V C . 27059 1 18 . 1 . 1 60 60 VAL CA C 13 67.100 0.1 . . . . . . . 60 V CA . 27059 1 19 . 1 . 1 60 60 VAL CB C 13 31.000 0.1 . . . . . . . 60 V CB . 27059 1 20 . 1 . 1 60 60 VAL CG1 C 13 23.700 0.1 . . . . . . . 60 V CG1 . 27059 1 21 . 1 . 1 60 60 VAL CG2 C 13 21.900 0.1 . . . . . . . 60 V CG2 . 27059 1 22 . 1 . 1 60 60 VAL N N 15 116.800 0.1 . . . . . . . 60 V N . 27059 1 23 . 1 . 1 61 61 LEU C C 13 179.100 0.1 . . . . . . . 61 L C . 27059 1 24 . 1 . 1 61 61 LEU CA C 13 58.300 0.1 . . . . . . . 61 L CA . 27059 1 25 . 1 . 1 61 61 LEU CB C 13 41.500 0.1 . . . . . . . 61 L CB . 27059 1 26 . 1 . 1 61 61 LEU CG C 13 26.100 0.1 . . . . . . . 61 L CG . 27059 1 27 . 1 . 1 61 61 LEU N N 15 118.700 0.1 . . . . . . . 61 L N . 27059 1 28 . 1 . 1 62 62 MET C C 13 180.900 0.1 . . . . . . . 62 M C . 27059 1 29 . 1 . 1 62 62 MET CA C 13 56.700 0.1 . . . . . . . 62 M CA . 27059 1 30 . 1 . 1 62 62 MET CB C 13 31.100 0.1 . . . . . . . 62 M CB . 27059 1 31 . 1 . 1 62 62 MET CG C 13 34.400 0.1 . . . . . . . 62 M CG . 27059 1 32 . 1 . 1 62 62 MET N N 15 116.400 0.1 . . . . . . . 62 M N . 27059 1 33 . 1 . 1 63 63 LEU C C 13 178.400 0.1 . . . . . . . 63 L C . 27059 1 34 . 1 . 1 63 63 LEU CA C 13 58.200 0.1 . . . . . . . 63 L CA . 27059 1 35 . 1 . 1 63 63 LEU CB C 13 41.300 0.1 . . . . . . . 63 L CB . 27059 1 36 . 1 . 1 63 63 LEU CG C 13 25.700 0.1 . . . . . . . 63 L CG . 27059 1 37 . 1 . 1 63 63 LEU N N 15 124.600 0.1 . . . . . . . 63 L N . 27059 1 38 . 1 . 1 64 64 ILE C C 13 176.800 0.1 . . . . . . . 64 I C . 27059 1 39 . 1 . 1 64 64 ILE CA C 13 65.800 0.1 . . . . . . . 64 I CA . 27059 1 40 . 1 . 1 64 64 ILE CB C 13 36.900 0.1 . . . . . . . 64 I CB . 27059 1 41 . 1 . 1 64 64 ILE CG2 C 13 16.400 0.1 . . . . . . . 64 I CG2 . 27059 1 42 . 1 . 1 64 64 ILE CD1 C 13 14.000 0.1 . . . . . . . 64 I CD1 . 27059 1 43 . 1 . 1 64 64 ILE N N 15 120.000 0.1 . . . . . . . 64 I N . 27059 1 44 . 1 . 1 65 65 ALA C C 13 176.700 0.1 . . . . . . . 65 A C . 27059 1 45 . 1 . 1 65 65 ALA CA C 13 55.100 0.1 . . . . . . . 65 A CA . 27059 1 46 . 1 . 1 65 65 ALA CB C 13 17.200 0.1 . . . . . . . 65 A CB . 27059 1 47 . 1 . 1 65 65 ALA N N 15 119.400 0.1 . . . . . . . 65 A N . 27059 1 48 . 1 . 1 66 66 SER C C 13 176.100 0.1 . . . . . . . 66 S C . 27059 1 49 . 1 . 1 66 66 SER CA C 13 62.200 0.1 . . . . . . . 66 S CA . 27059 1 50 . 1 . 1 66 66 SER CB C 13 62.900 0.1 . . . . . . . 66 S CB . 27059 1 51 . 1 . 1 66 66 SER N N 15 110.500 0.1 . . . . . . . 66 S N . 27059 1 52 . 1 . 1 67 67 ALA C C 13 178.200 0.1 . . . . . . . 67 A C . 27059 1 53 . 1 . 1 67 67 ALA CA C 13 55.000 0.1 . . . . . . . 67 A CA . 27059 1 54 . 1 . 1 67 67 ALA CB C 13 18.000 0.1 . . . . . . . 67 A CB . 27059 1 55 . 1 . 1 67 67 ALA N N 15 125.400 0.1 . . . . . . . 67 A N . 27059 1 56 . 1 . 1 68 68 ALA C C 13 177.400 0.1 . . . . . . . 68 A C . 27059 1 57 . 1 . 1 68 68 ALA CA C 13 55.100 0.1 . . . . . . . 68 A CA . 27059 1 58 . 1 . 1 68 68 ALA CB C 13 18.000 0.1 . . . . . . . 68 A CB . 27059 1 59 . 1 . 1 68 68 ALA N N 15 120.300 0.1 . . . . . . . 68 A N . 27059 1 60 . 1 . 1 69 69 PHE C C 13 179.200 0.1 . . . . . . . 69 F C . 27059 1 61 . 1 . 1 69 69 PHE CA C 13 57.200 0.1 . . . . . . . 69 F CA . 27059 1 62 . 1 . 1 69 69 PHE CB C 13 36.900 0.1 . . . . . . . 69 F CB . 27059 1 63 . 1 . 1 69 69 PHE N N 15 117.700 0.1 . . . . . . . 69 F N . 27059 1 64 . 1 . 1 70 70 THR C C 13 178.400 0.1 . . . . . . . 70 T C . 27059 1 65 . 1 . 1 70 70 THR CA C 13 67.800 0.1 . . . . . . . 70 T CA . 27059 1 66 . 1 . 1 70 70 THR CB C 13 67.700 0.1 . . . . . . . 70 T CB . 27059 1 67 . 1 . 1 70 70 THR CG2 C 13 20.900 0.1 . . . . . . . 70 T CG2 . 27059 1 68 . 1 . 1 70 70 THR N N 15 117.500 0.1 . . . . . . . 70 T N . 27059 1 69 . 1 . 1 71 71 ALA C C 13 179.600 0.1 . . . . . . . 71 A C . 27059 1 70 . 1 . 1 71 71 ALA CA C 13 55.800 0.1 . . . . . . . 71 A CA . 27059 1 71 . 1 . 1 71 71 ALA CB C 13 18.000 0.1 . . . . . . . 71 A CB . 27059 1 72 . 1 . 1 71 71 ALA N N 15 126.000 0.1 . . . . . . . 71 A N . 27059 1 73 . 1 . 1 72 72 LEU C C 13 178.400 0.1 . . . . . . . 72 L C . 27059 1 74 . 1 . 1 72 72 LEU CA C 13 57.400 0.1 . . . . . . . 72 L CA . 27059 1 75 . 1 . 1 72 72 LEU CB C 13 42.000 0.1 . . . . . . . 72 L CB . 27059 1 76 . 1 . 1 72 72 LEU CG C 13 25.300 0.1 . . . . . . . 72 L CG . 27059 1 77 . 1 . 1 72 72 LEU N N 15 116.400 0.1 . . . . . . . 72 L N . 27059 1 78 . 1 . 1 73 73 SER C C 13 175.800 0.1 . . . . . . . 73 S C . 27059 1 79 . 1 . 1 73 73 SER CA C 13 60.100 0.1 . . . . . . . 73 S CA . 27059 1 80 . 1 . 1 73 73 SER CB C 13 65.800 0.1 . . . . . . . 73 S CB . 27059 1 81 . 1 . 1 73 73 SER N N 15 114.500 0.1 . . . . . . . 73 S N . 27059 1 82 . 1 . 1 74 74 TRP C C 13 174.900 0.1 . . . . . . . 74 W C . 27059 1 83 . 1 . 1 74 74 TRP CA C 13 61.000 0.1 . . . . . . . 74 W CA . 27059 1 84 . 1 . 1 74 74 TRP CB C 13 29.800 0.1 . . . . . . . 74 W CB . 27059 1 85 . 1 . 1 74 74 TRP N N 15 121.900 0.1 . . . . . . . 74 W N . 27059 1 86 . 1 . 1 75 75 LYS C C 13 176.900 0.1 . . . . . . . 75 K C . 27059 1 87 . 1 . 1 75 75 LYS CA C 13 54.700 0.1 . . . . . . . 75 K CA . 27059 1 88 . 1 . 1 75 75 LYS CB C 13 31.900 0.1 . . . . . . . 75 K CB . 27059 1 89 . 1 . 1 75 75 LYS N N 15 109.800 0.1 . . . . . . . 75 K N . 27059 1 90 . 1 . 1 76 76 ILE C C 13 174.200 0.1 . . . . . . . 76 I C . 27059 1 91 . 1 . 1 76 76 ILE CA C 13 58.400 0.1 . . . . . . . 76 I CA . 27059 1 92 . 1 . 1 76 76 ILE CB C 13 38.400 0.1 . . . . . . . 76 I CB . 27059 1 93 . 1 . 1 76 76 ILE CG1 C 13 27.100 0.1 . . . . . . . 76 I CG1 . 27059 1 94 . 1 . 1 76 76 ILE CG2 C 13 15.800 0.1 . . . . . . . 76 I CG2 . 27059 1 95 . 1 . 1 76 76 ILE CD1 C 13 13.100 0.1 . . . . . . . 76 I CD1 . 27059 1 96 . 1 . 1 76 76 ILE N N 15 124.900 0.1 . . . . . . . 76 I N . 27059 1 97 . 1 . 1 77 77 PRO C C 13 178.400 0.1 . . . . . . . 77 P C . 27059 1 98 . 1 . 1 77 77 PRO CA C 13 62.800 0.1 . . . . . . . 77 P CA . 27059 1 99 . 1 . 1 77 77 PRO CB C 13 31.800 0.1 . . . . . . . 77 P CB . 27059 1 100 . 1 . 1 77 77 PRO CG C 13 28.000 0.1 . . . . . . . 77 P CG . 27059 1 101 . 1 . 1 77 77 PRO CD C 13 51.200 0.1 . . . . . . . 77 P CD . 27059 1 102 . 1 . 1 77 77 PRO N N 15 143.800 0.1 . . . . . . . 77 P N . 27059 1 103 . 1 . 1 83 83 TYR C C 13 180.800 0.1 . . . . . . . 83 Y C . 27059 1 104 . 1 . 1 83 83 TYR CA C 13 60.500 0.1 . . . . . . . 83 Y CA . 27059 1 105 . 1 . 1 83 83 TYR CB C 13 36.800 0.1 . . . . . . . 83 Y CB . 27059 1 106 . 1 . 1 83 83 TYR N N 15 113.200 0.1 . . . . . . . 83 Y N . 27059 1 107 . 1 . 1 84 84 HIS C C 13 178.400 0.1 . . . . . . . 84 H C . 27059 1 108 . 1 . 1 84 84 HIS CA C 13 61.300 0.1 . . . . . . . 84 H CA . 27059 1 109 . 1 . 1 84 84 HIS CB C 13 31.200 0.1 . . . . . . . 84 H CB . 27059 1 110 . 1 . 1 84 84 HIS N N 15 120.200 0.1 . . . . . . . 84 H N . 27059 1 111 . 1 . 1 85 85 VAL C C 13 176.400 0.1 . . . . . . . 85 V C . 27059 1 112 . 1 . 1 85 85 VAL CA C 13 66.600 0.1 . . . . . . . 85 V CA . 27059 1 113 . 1 . 1 85 85 VAL CB C 13 32.200 0.1 . . . . . . . 85 V CB . 27059 1 114 . 1 . 1 85 85 VAL CG1 C 13 21.500 0.1 . . . . . . . 85 V CG1 . 27059 1 115 . 1 . 1 85 85 VAL CG2 C 13 22.400 0.1 . . . . . . . 85 V CG2 . 27059 1 116 . 1 . 1 85 85 VAL N N 15 120.500 0.1 . . . . . . . 85 V N . 27059 1 117 . 1 . 1 86 86 ILE C C 13 177.500 0.1 . . . . . . . 86 I C . 27059 1 118 . 1 . 1 86 86 ILE CA C 13 66.000 0.1 . . . . . . . 86 I CA . 27059 1 119 . 1 . 1 86 86 ILE CB C 13 31.000 0.1 . . . . . . . 86 I CB . 27059 1 120 . 1 . 1 86 86 ILE CG2 C 13 19.200 0.1 . . . . . . . 86 I CG2 . 27059 1 121 . 1 . 1 86 86 ILE CD1 C 13 14.700 0.1 . . . . . . . 86 I CD1 . 27059 1 122 . 1 . 1 86 86 ILE N N 15 116.300 0.1 . . . . . . . 86 I N . 27059 1 123 . 1 . 1 87 87 THR C C 13 174.800 0.1 . . . . . . . 87 T C . 27059 1 124 . 1 . 1 87 87 THR CA C 13 67.100 0.1 . . . . . . . 87 T CA . 27059 1 125 . 1 . 1 87 87 THR CB C 13 68.800 0.1 . . . . . . . 87 T CB . 27059 1 126 . 1 . 1 87 87 THR CG2 C 13 21.800 0.1 . . . . . . . 87 T CG2 . 27059 1 127 . 1 . 1 87 87 THR N N 15 112.000 0.1 . . . . . . . 87 T N . 27059 1 128 . 1 . 1 88 88 THR C C 13 175.900 0.1 . . . . . . . 88 T C . 27059 1 129 . 1 . 1 88 88 THR CA C 13 68.000 0.1 . . . . . . . 88 T CA . 27059 1 130 . 1 . 1 88 88 THR CB C 13 67.900 0.1 . . . . . . . 88 T CB . 27059 1 131 . 1 . 1 88 88 THR CG2 C 13 20.900 0.1 . . . . . . . 88 T CG2 . 27059 1 132 . 1 . 1 88 88 THR N N 15 117.300 0.1 . . . . . . . 88 T N . 27059 1 133 . 1 . 1 89 89 ILE C C 13 178.200 0.1 . . . . . . . 89 I C . 27059 1 134 . 1 . 1 89 89 ILE CA C 13 66.400 0.1 . . . . . . . 89 I CA . 27059 1 135 . 1 . 1 89 89 ILE CB C 13 37.200 0.1 . . . . . . . 89 I CB . 27059 1 136 . 1 . 1 89 89 ILE CG2 C 13 21.500 0.1 . . . . . . . 89 I CG2 . 27059 1 137 . 1 . 1 89 89 ILE N N 15 120.400 0.1 . . . . . . . 89 I N . 27059 1 138 . 1 . 1 90 90 ILE C C 13 176.800 0.1 . . . . . . . 90 I C . 27059 1 139 . 1 . 1 90 90 ILE CA C 13 66.100 0.1 . . . . . . . 90 I CA . 27059 1 140 . 1 . 1 90 90 ILE CB C 13 37.400 0.1 . . . . . . . 90 I CB . 27059 1 141 . 1 . 1 90 90 ILE CG1 C 13 31.300 0.1 . . . . . . . 90 I CG1 . 27059 1 142 . 1 . 1 90 90 ILE CG2 C 13 17.100 0.1 . . . . . . . 90 I CG2 . 27059 1 143 . 1 . 1 90 90 ILE CD1 C 13 14.500 0.1 . . . . . . . 90 I CD1 . 27059 1 144 . 1 . 1 90 90 ILE N N 15 121.900 0.1 . . . . . . . 90 I N . 27059 1 145 . 1 . 1 91 91 THR C C 13 177.600 0.1 . . . . . . . 91 T C . 27059 1 146 . 1 . 1 91 91 THR CA C 13 65.500 0.1 . . . . . . . 91 T CA . 27059 1 147 . 1 . 1 91 91 THR CB C 13 67.300 0.1 . . . . . . . 91 T CB . 27059 1 148 . 1 . 1 91 91 THR CG2 C 13 23.100 0.1 . . . . . . . 91 T CG2 . 27059 1 149 . 1 . 1 91 91 THR N N 15 107.800 0.1 . . . . . . . 91 T N . 27059 1 150 . 1 . 1 92 92 LEU C C 13 178.500 0.1 . . . . . . . 92 L C . 27059 1 151 . 1 . 1 92 92 LEU CA C 13 57.700 0.1 . . . . . . . 92 L CA . 27059 1 152 . 1 . 1 92 92 LEU CB C 13 43.100 0.1 . . . . . . . 92 L CB . 27059 1 153 . 1 . 1 92 92 LEU CG C 13 26.000 0.1 . . . . . . . 92 L CG . 27059 1 154 . 1 . 1 92 92 LEU CD1 C 13 18.100 0.1 . . . . . . . 92 L CD1 . 27059 1 155 . 1 . 1 92 92 LEU N N 15 125.400 0.1 . . . . . . . 92 L N . 27059 1 156 . 1 . 1 93 93 THR C C 13 176.300 0.1 . . . . . . . 93 T C . 27059 1 157 . 1 . 1 93 93 THR CA C 13 68.400 0.1 . . . . . . . 93 T CA . 27059 1 158 . 1 . 1 93 93 THR CB C 13 67.200 0.1 . . . . . . . 93 T CB . 27059 1 159 . 1 . 1 93 93 THR CG2 C 13 21.800 0.1 . . . . . . . 93 T CG2 . 27059 1 160 . 1 . 1 93 93 THR N N 15 116.800 0.1 . . . . . . . 93 T N . 27059 1 161 . 1 . 1 94 94 ALA C C 13 180.200 0.1 . . . . . . . 94 A C . 27059 1 162 . 1 . 1 94 94 ALA CA C 13 54.100 0.1 . . . . . . . 94 A CA . 27059 1 163 . 1 . 1 94 94 ALA CB C 13 17.900 0.1 . . . . . . . 94 A CB . 27059 1 164 . 1 . 1 94 94 ALA N N 15 122.200 0.1 . . . . . . . 94 A N . 27059 1 165 . 1 . 1 95 95 ALA C C 13 179.500 0.1 . . . . . . . 95 A C . 27059 1 166 . 1 . 1 95 95 ALA CA C 13 56.300 0.1 . . . . . . . 95 A CA . 27059 1 167 . 1 . 1 95 95 ALA CB C 13 17.200 0.1 . . . . . . . 95 A CB . 27059 1 168 . 1 . 1 95 95 ALA N N 15 119.900 0.1 . . . . . . . 95 A N . 27059 1 169 . 1 . 1 96 96 LEU C C 13 178.700 0.1 . . . . . . . 96 L C . 27059 1 170 . 1 . 1 96 96 LEU CA C 13 58.200 0.1 . . . . . . . 96 L CA . 27059 1 171 . 1 . 1 96 96 LEU CB C 13 41.400 0.1 . . . . . . . 96 L CB . 27059 1 172 . 1 . 1 96 96 LEU CG C 13 26.500 0.1 . . . . . . . 96 L CG . 27059 1 173 . 1 . 1 96 96 LEU CD1 C 13 23.900 0.1 . . . . . . . 96 L CD1 . 27059 1 174 . 1 . 1 96 96 LEU N N 15 116.400 0.1 . . . . . . . 96 L N . 27059 1 175 . 1 . 1 97 97 SER C C 13 177.100 0.1 . . . . . . . 97 S C . 27059 1 176 . 1 . 1 97 97 SER CA C 13 61.100 0.1 . . . . . . . 97 S CA . 27059 1 177 . 1 . 1 97 97 SER CB C 13 62.700 0.1 . . . . . . . 97 S CB . 27059 1 178 . 1 . 1 97 97 SER N N 15 114.700 0.1 . . . . . . . 97 S N . 27059 1 179 . 1 . 1 98 98 TYR C C 13 177.700 0.1 . . . . . . . 98 Y C . 27059 1 180 . 1 . 1 98 98 TYR CA C 13 64.600 0.1 . . . . . . . 98 Y CA . 27059 1 181 . 1 . 1 98 98 TYR CB C 13 36.000 0.1 . . . . . . . 98 Y CB . 27059 1 182 . 1 . 1 98 98 TYR N N 15 119.700 0.1 . . . . . . . 98 Y N . 27059 1 183 . 1 . 1 99 99 PHE C C 13 177.000 0.1 . . . . . . . 99 F C . 27059 1 184 . 1 . 1 99 99 PHE CA C 13 62.000 0.1 . . . . . . . 99 F CA . 27059 1 185 . 1 . 1 99 99 PHE CB C 13 37.100 0.1 . . . . . . . 99 F CB . 27059 1 186 . 1 . 1 99 99 PHE N N 15 121.600 0.1 . . . . . . . 99 F N . 27059 1 187 . 1 . 1 101 101 MET C C 13 177.600 0.1 . . . . . . . 101 M C . 27059 1 188 . 1 . 1 101 101 MET CA C 13 55.700 0.1 . . . . . . . 101 M CA . 27059 1 189 . 1 . 1 101 101 MET CB C 13 31.500 0.1 . . . . . . . 101 M CB . 27059 1 190 . 1 . 1 101 101 MET CG C 13 37.400 0.1 . . . . . . . 101 M CG . 27059 1 191 . 1 . 1 101 101 MET N N 15 118.300 0.1 . . . . . . . 101 M N . 27059 1 192 . 1 . 1 102 102 ALA C C 13 178.000 0.1 . . . . . . . 102 A C . 27059 1 193 . 1 . 1 102 102 ALA CA C 13 54.500 0.1 . . . . . . . 102 A CA . 27059 1 194 . 1 . 1 102 102 ALA CB C 13 14.300 0.1 . . . . . . . 102 A CB . 27059 1 195 . 1 . 1 102 102 ALA N N 15 123.800 0.1 . . . . . . . 102 A N . 27059 1 196 . 1 . 1 103 103 THR C C 13 176.000 0.1 . . . . . . . 103 T C . 27059 1 197 . 1 . 1 103 103 THR CA C 13 61.400 0.1 . . . . . . . 103 T CA . 27059 1 198 . 1 . 1 103 103 THR CB C 13 69.700 0.1 . . . . . . . 103 T CB . 27059 1 199 . 1 . 1 103 103 THR CG2 C 13 21.300 0.1 . . . . . . . 103 T CG2 . 27059 1 200 . 1 . 1 103 103 THR N N 15 101.300 0.1 . . . . . . . 103 T N . 27059 1 201 . 1 . 1 104 104 GLY C C 13 173.700 0.1 . . . . . . . 104 G C . 27059 1 202 . 1 . 1 104 104 GLY CA C 13 45.300 0.1 . . . . . . . 104 G CA . 27059 1 203 . 1 . 1 104 104 GLY N N 15 110.400 0.1 . . . . . . . 104 G N . 27059 1 204 . 1 . 1 138 138 ILE C C 13 175.400 0.1 . . . . . . . 138 I C . 27059 1 205 . 1 . 1 138 138 ILE CA C 13 65.800 0.1 . . . . . . . 138 I CA . 27059 1 206 . 1 . 1 138 138 ILE CB C 13 37.400 0.1 . . . . . . . 138 I CB . 27059 1 207 . 1 . 1 138 138 ILE CG1 C 13 28.600 0.1 . . . . . . . 138 I CG1 . 27059 1 208 . 1 . 1 138 138 ILE CD1 C 13 17.600 0.1 . . . . . . . 138 I CD1 . 27059 1 209 . 1 . 1 138 138 ILE N N 15 116.700 0.1 . . . . . . . 138 I N . 27059 1 210 . 1 . 1 139 139 ASP C C 13 178.100 0.1 . . . . . . . 139 D C . 27059 1 211 . 1 . 1 139 139 ASP CA C 13 56.500 0.1 . . . . . . . 139 D CA . 27059 1 212 . 1 . 1 139 139 ASP CB C 13 40.000 0.1 . . . . . . . 139 D CB . 27059 1 213 . 1 . 1 139 139 ASP CG C 13 175.300 0.1 . . . . . . . 139 D CG . 27059 1 214 . 1 . 1 139 139 ASP N N 15 114.600 0.1 . . . . . . . 139 D N . 27059 1 215 . 1 . 1 140 140 TRP C C 13 179.900 0.1 . . . . . . . 140 W C . 27059 1 216 . 1 . 1 140 140 TRP CA C 13 56.700 0.1 . . . . . . . 140 W CA . 27059 1 217 . 1 . 1 140 140 TRP CB C 13 28.600 0.1 . . . . . . . 140 W CB . 27059 1 218 . 1 . 1 140 140 TRP CG C 13 124.200 0.1 . . . . . . . 140 W CG . 27059 1 219 . 1 . 1 140 140 TRP N N 15 115.100 0.1 . . . . . . . 140 W N . 27059 1 220 . 1 . 1 141 141 ALA C C 13 173.100 0.1 . . . . . . . 141 A C . 27059 1 221 . 1 . 1 141 141 ALA CA C 13 55.300 0.1 . . . . . . . 141 A CA . 27059 1 222 . 1 . 1 141 141 ALA CB C 13 17.400 0.1 . . . . . . . 141 A CB . 27059 1 223 . 1 . 1 141 141 ALA N N 15 126.300 0.1 . . . . . . . 141 A N . 27059 1 224 . 1 . 1 142 142 ILE C C 13 178.300 0.1 . . . . . . . 142 I C . 27059 1 225 . 1 . 1 142 142 ILE CA C 13 62.400 0.1 . . . . . . . 142 I CA . 27059 1 226 . 1 . 1 142 142 ILE CB C 13 39.700 0.1 . . . . . . . 142 I CB . 27059 1 227 . 1 . 1 142 142 ILE CG1 C 13 28.700 0.1 . . . . . . . 142 I CG1 . 27059 1 228 . 1 . 1 142 142 ILE CG2 C 13 17.300 0.1 . . . . . . . 142 I CG2 . 27059 1 229 . 1 . 1 142 142 ILE CD1 C 13 14.000 0.1 . . . . . . . 142 I CD1 . 27059 1 230 . 1 . 1 142 142 ILE N N 15 111.100 0.1 . . . . . . . 142 I N . 27059 1 231 . 1 . 1 143 143 THR C C 13 178.100 0.1 . . . . . . . 143 T C . 27059 1 232 . 1 . 1 143 143 THR CA C 13 65.900 0.1 . . . . . . . 143 T CA . 27059 1 233 . 1 . 1 143 143 THR CB C 13 70.100 0.1 . . . . . . . 143 T CB . 27059 1 234 . 1 . 1 143 143 THR CG2 C 13 24.300 0.1 . . . . . . . 143 T CG2 . 27059 1 235 . 1 . 1 143 143 THR N N 15 108.000 0.1 . . . . . . . 143 T N . 27059 1 236 . 1 . 1 144 144 THR C C 13 176.000 0.1 . . . . . . . 144 T C . 27059 1 237 . 1 . 1 144 144 THR CA C 13 66.900 0.1 . . . . . . . 144 T CA . 27059 1 238 . 1 . 1 144 144 THR CB C 13 66.200 0.1 . . . . . . . 144 T CB . 27059 1 239 . 1 . 1 144 144 THR CG2 C 13 21.400 0.1 . . . . . . . 144 T CG2 . 27059 1 240 . 1 . 1 144 144 THR N N 15 114.700 0.1 . . . . . . . 144 T N . 27059 1 241 . 1 . 1 145 145 PRO C C 13 178.300 0.1 . . . . . . . 145 P C . 27059 1 242 . 1 . 1 145 145 PRO CA C 13 66.300 0.1 . . . . . . . 145 P CA . 27059 1 243 . 1 . 1 145 145 PRO CB C 13 32.200 0.1 . . . . . . . 145 P CB . 27059 1 244 . 1 . 1 145 145 PRO CG C 13 27.700 0.1 . . . . . . . 145 P CG . 27059 1 245 . 1 . 1 145 145 PRO CD C 13 51.200 0.1 . . . . . . . 145 P CD . 27059 1 246 . 1 . 1 145 145 PRO N N 15 136.100 0.1 . . . . . . . 145 P N . 27059 1 247 . 1 . 1 146 146 LEU C C 13 178.500 0.1 . . . . . . . 146 L C . 27059 1 248 . 1 . 1 146 146 LEU CA C 13 57.500 0.1 . . . . . . . 146 L CA . 27059 1 249 . 1 . 1 146 146 LEU CB C 13 40.600 0.1 . . . . . . . 146 L CB . 27059 1 250 . 1 . 1 146 146 LEU CG C 13 26.400 0.1 . . . . . . . 146 L CG . 27059 1 251 . 1 . 1 146 146 LEU CD1 C 13 22.100 0.1 . . . . . . . 146 L CD1 . 27059 1 252 . 1 . 1 146 146 LEU N N 15 113.900 0.1 . . . . . . . 146 L N . 27059 1 253 . 1 . 1 147 147 LEU C C 13 179.200 0.1 . . . . . . . 147 L C . 27059 1 254 . 1 . 1 147 147 LEU CA C 13 58.500 0.1 . . . . . . . 147 L CA . 27059 1 255 . 1 . 1 147 147 LEU CB C 13 42.600 0.1 . . . . . . . 147 L CB . 27059 1 256 . 1 . 1 147 147 LEU CG C 13 27.400 0.1 . . . . . . . 147 L CG . 27059 1 257 . 1 . 1 147 147 LEU CD1 C 13 26.300 0.1 . . . . . . . 147 L CD1 . 27059 1 258 . 1 . 1 147 147 LEU CD2 C 13 25.200 0.1 . . . . . . . 147 L CD2 . 27059 1 259 . 1 . 1 147 147 LEU N N 15 123.400 0.1 . . . . . . . 147 L N . 27059 1 260 . 1 . 1 148 148 LEU C C 13 179.500 0.1 . . . . . . . 148 L C . 27059 1 261 . 1 . 1 148 148 LEU CA C 13 57.700 0.1 . . . . . . . 148 L CA . 27059 1 262 . 1 . 1 148 148 LEU CB C 13 41.000 0.1 . . . . . . . 148 L CB . 27059 1 263 . 1 . 1 148 148 LEU CG C 13 27.300 0.1 . . . . . . . 148 L CG . 27059 1 264 . 1 . 1 148 148 LEU CD1 C 13 21.700 0.1 . . . . . . . 148 L CD1 . 27059 1 265 . 1 . 1 148 148 LEU CD2 C 13 26.000 0.1 . . . . . . . 148 L CD2 . 27059 1 266 . 1 . 1 148 148 LEU N N 15 116.900 0.1 . . . . . . . 148 L N . 27059 1 267 . 1 . 1 149 149 LEU C C 13 177.900 0.1 . . . . . . . 149 L C . 27059 1 268 . 1 . 1 149 149 LEU CA C 13 58.100 0.1 . . . . . . . 149 L CA . 27059 1 269 . 1 . 1 149 149 LEU CB C 13 41.700 0.1 . . . . . . . 149 L CB . 27059 1 270 . 1 . 1 149 149 LEU CG C 13 26.600 0.1 . . . . . . . 149 L CG . 27059 1 271 . 1 . 1 149 149 LEU CD1 C 13 23.200 0.1 . . . . . . . 149 L CD1 . 27059 1 272 . 1 . 1 149 149 LEU N N 15 121.200 0.1 . . . . . . . 149 L N . 27059 1 273 . 1 . 1 150 150 ASP C C 13 177.400 0.1 . . . . . . . 150 D C . 27059 1 274 . 1 . 1 150 150 ASP CA C 13 56.000 0.1 . . . . . . . 150 D CA . 27059 1 275 . 1 . 1 150 150 ASP CB C 13 37.100 0.1 . . . . . . . 150 D CB . 27059 1 276 . 1 . 1 150 150 ASP CG C 13 172.900 0.1 . . . . . . . 150 D CG . 27059 1 277 . 1 . 1 150 150 ASP N N 15 118.300 0.1 . . . . . . . 150 D N . 27059 1 278 . 1 . 1 151 151 LEU C C 13 178.400 0.1 . . . . . . . 151 L C . 27059 1 279 . 1 . 1 151 151 LEU CA C 13 57.700 0.1 . . . . . . . 151 L CA . 27059 1 280 . 1 . 1 151 151 LEU CB C 13 43.000 0.1 . . . . . . . 151 L CB . 27059 1 281 . 1 . 1 151 151 LEU CG C 13 27.000 0.1 . . . . . . . 151 L CG . 27059 1 282 . 1 . 1 151 151 LEU CD1 C 13 22.600 0.1 . . . . . . . 151 L CD1 . 27059 1 283 . 1 . 1 151 151 LEU CD2 C 13 25.600 0.1 . . . . . . . 151 L CD2 . 27059 1 284 . 1 . 1 151 151 LEU N N 15 115.500 0.1 . . . . . . . 151 L N . 27059 1 285 . 1 . 1 152 152 GLY C C 13 176.900 0.1 . . . . . . . 152 G C . 27059 1 286 . 1 . 1 152 152 GLY CA C 13 47.700 0.1 . . . . . . . 152 G CA . 27059 1 287 . 1 . 1 152 152 GLY N N 15 108.000 0.1 . . . . . . . 152 G N . 27059 1 288 . 1 . 1 153 153 LEU C C 13 179.300 0.1 . . . . . . . 153 L C . 27059 1 289 . 1 . 1 153 153 LEU CA C 13 57.100 0.1 . . . . . . . 153 L CA . 27059 1 290 . 1 . 1 153 153 LEU CB C 13 40.900 0.1 . . . . . . . 153 L CB . 27059 1 291 . 1 . 1 153 153 LEU CG C 13 26.400 0.1 . . . . . . . 153 L CG . 27059 1 292 . 1 . 1 153 153 LEU CD1 C 13 21.900 0.1 . . . . . . . 153 L CD1 . 27059 1 293 . 1 . 1 153 153 LEU N N 15 123.000 0.1 . . . . . . . 153 L N . 27059 1 294 . 1 . 1 154 154 LEU C C 13 178.800 0.1 . . . . . . . 154 L C . 27059 1 295 . 1 . 1 154 154 LEU CA C 13 57.800 0.1 . . . . . . . 154 L CA . 27059 1 296 . 1 . 1 154 154 LEU CB C 13 42.300 0.1 . . . . . . . 154 L CB . 27059 1 297 . 1 . 1 154 154 LEU CG C 13 26.800 0.1 . . . . . . . 154 L CG . 27059 1 298 . 1 . 1 154 154 LEU CD1 C 13 26.600 0.1 . . . . . . . 154 L CD1 . 27059 1 299 . 1 . 1 154 154 LEU CD2 C 13 23.900 0.1 . . . . . . . 154 L CD2 . 27059 1 300 . 1 . 1 154 154 LEU N N 15 122.300 0.1 . . . . . . . 154 L N . 27059 1 301 . 1 . 1 155 155 ALA C C 13 175.400 0.1 . . . . . . . 155 A C . 27059 1 302 . 1 . 1 155 155 ALA CA C 13 52.800 0.1 . . . . . . . 155 A CA . 27059 1 303 . 1 . 1 155 155 ALA CB C 13 18.800 0.1 . . . . . . . 155 A CB . 27059 1 304 . 1 . 1 155 155 ALA N N 15 116.500 0.1 . . . . . . . 155 A N . 27059 1 305 . 1 . 1 156 156 GLY C C 13 176.400 0.1 . . . . . . . 156 G C . 27059 1 306 . 1 . 1 156 156 GLY CA C 13 45.400 0.1 . . . . . . . 156 G CA . 27059 1 307 . 1 . 1 156 156 GLY N N 15 99.800 0.1 . . . . . . . 156 G N . 27059 1 308 . 1 . 1 157 157 MET C C 13 174.400 0.1 . . . . . . . 157 M C . 27059 1 309 . 1 . 1 157 157 MET CA C 13 56.300 0.1 . . . . . . . 157 M CA . 27059 1 310 . 1 . 1 157 157 MET CB C 13 35.200 0.1 . . . . . . . 157 M CB . 27059 1 311 . 1 . 1 157 157 MET CG C 13 32.800 0.1 . . . . . . . 157 M CG . 27059 1 312 . 1 . 1 157 157 MET N N 15 117.500 0.1 . . . . . . . 157 M N . 27059 1 313 . 1 . 1 158 158 SER C C 13 173.400 0.1 . . . . . . . 158 S C . 27059 1 314 . 1 . 1 158 158 SER CA C 13 57.900 0.1 . . . . . . . 158 S CA . 27059 1 315 . 1 . 1 158 158 SER CB C 13 63.500 0.1 . . . . . . . 158 S CB . 27059 1 316 . 1 . 1 158 158 SER N N 15 116.400 0.1 . . . . . . . 158 S N . 27059 1 317 . 1 . 1 159 159 GLY C C 13 174.000 0.1 . . . . . . . 159 G C . 27059 1 318 . 1 . 1 159 159 GLY CA C 13 47.700 0.1 . . . . . . . 159 G CA . 27059 1 319 . 1 . 1 159 159 GLY N N 15 109.000 0.1 . . . . . . . 159 G N . 27059 1 320 . 1 . 1 160 160 ALA C C 13 178.800 0.1 . . . . . . . 160 A C . 27059 1 321 . 1 . 1 160 160 ALA CA C 13 54.000 0.1 . . . . . . . 160 A CA . 27059 1 322 . 1 . 1 160 160 ALA CB C 13 17.800 0.1 . . . . . . . 160 A CB . 27059 1 323 . 1 . 1 160 160 ALA N N 15 122.400 0.1 . . . . . . . 160 A N . 27059 1 324 . 1 . 1 161 161 HIS C C 13 177.600 0.1 . . . . . . . 161 H C . 27059 1 325 . 1 . 1 161 161 HIS CA C 13 59.800 0.1 . . . . . . . 161 H CA . 27059 1 326 . 1 . 1 161 161 HIS CB C 13 31.200 0.1 . . . . . . . 161 H CB . 27059 1 327 . 1 . 1 161 161 HIS N N 15 115.700 0.1 . . . . . . . 161 H N . 27059 1 328 . 1 . 1 162 162 ILE C C 13 176.800 0.1 . . . . . . . 162 I C . 27059 1 329 . 1 . 1 162 162 ILE CA C 13 66.100 0.1 . . . . . . . 162 I CA . 27059 1 330 . 1 . 1 162 162 ILE CB C 13 38.100 0.1 . . . . . . . 162 I CB . 27059 1 331 . 1 . 1 162 162 ILE CD1 C 13 12.900 0.1 . . . . . . . 162 I CD1 . 27059 1 332 . 1 . 1 162 162 ILE N N 15 120.000 0.1 . . . . . . . 162 I N . 27059 1 333 . 1 . 1 163 163 PHE C C 13 178.600 0.1 . . . . . . . 163 F C . 27059 1 334 . 1 . 1 163 163 PHE CA C 13 61.600 0.1 . . . . . . . 163 F CA . 27059 1 335 . 1 . 1 163 163 PHE CB C 13 32.200 0.1 . . . . . . . 163 F CB . 27059 1 336 . 1 . 1 163 163 PHE CG C 13 139.300 0.1 . . . . . . . 163 F CG . 27059 1 337 . 1 . 1 163 163 PHE N N 15 115.000 0.1 . . . . . . . 163 F N . 27059 1 338 . 1 . 1 164 164 MET C C 13 177.300 0.1 . . . . . . . 164 M C . 27059 1 339 . 1 . 1 164 164 MET CA C 13 59.200 0.1 . . . . . . . 164 M CA . 27059 1 340 . 1 . 1 164 164 MET CB C 13 34.300 0.1 . . . . . . . 164 M CB . 27059 1 341 . 1 . 1 164 164 MET CG C 13 32.100 0.1 . . . . . . . 164 M CG . 27059 1 342 . 1 . 1 164 164 MET N N 15 115.000 0.1 . . . . . . . 164 M N . 27059 1 343 . 1 . 1 165 165 ALA C C 13 178.800 0.1 . . . . . . . 165 A C . 27059 1 344 . 1 . 1 165 165 ALA CA C 13 55.100 0.1 . . . . . . . 165 A CA . 27059 1 345 . 1 . 1 165 165 ALA CB C 13 19.800 0.1 . . . . . . . 165 A CB . 27059 1 346 . 1 . 1 165 165 ALA N N 15 120.000 0.1 . . . . . . . 165 A N . 27059 1 347 . 1 . 1 166 166 ILE C C 13 176.900 0.1 . . . . . . . 166 I C . 27059 1 348 . 1 . 1 166 166 ILE CA C 13 65.900 0.1 . . . . . . . 166 I CA . 27059 1 349 . 1 . 1 166 166 ILE CB C 13 37.100 0.1 . . . . . . . 166 I CB . 27059 1 350 . 1 . 1 166 166 ILE CG1 C 13 31.000 0.1 . . . . . . . 166 I CG1 . 27059 1 351 . 1 . 1 166 166 ILE CG2 C 13 16.400 0.1 . . . . . . . 166 I CG2 . 27059 1 352 . 1 . 1 166 166 ILE CD1 C 13 14.500 0.1 . . . . . . . 166 I CD1 . 27059 1 353 . 1 . 1 166 166 ILE N N 15 117.600 0.1 . . . . . . . 166 I N . 27059 1 354 . 1 . 1 167 167 VAL C C 13 177.300 0.1 . . . . . . . 167 V C . 27059 1 355 . 1 . 1 167 167 VAL CA C 13 67.900 0.1 . . . . . . . 167 V CA . 27059 1 356 . 1 . 1 167 167 VAL CB C 13 30.700 0.1 . . . . . . . 167 V CB . 27059 1 357 . 1 . 1 167 167 VAL CG1 C 13 20.300 0.1 . . . . . . . 167 V CG1 . 27059 1 358 . 1 . 1 167 167 VAL CG2 C 13 22.900 0.1 . . . . . . . 167 V CG2 . 27059 1 359 . 1 . 1 167 167 VAL N N 15 121.400 0.1 . . . . . . . 167 V N . 27059 1 360 . 1 . 1 168 168 ALA C C 13 177.800 0.1 . . . . . . . 168 A C . 27059 1 361 . 1 . 1 168 168 ALA CA C 13 55.700 0.1 . . . . . . . 168 A CA . 27059 1 362 . 1 . 1 168 168 ALA CB C 13 16.900 0.1 . . . . . . . 168 A CB . 27059 1 363 . 1 . 1 168 168 ALA N N 15 119.900 0.1 . . . . . . . 168 A N . 27059 1 364 . 1 . 1 169 169 ASP C C 13 176.100 0.1 . . . . . . . 169 D C . 27059 1 365 . 1 . 1 169 169 ASP CA C 13 57.000 0.1 . . . . . . . 169 D CA . 27059 1 366 . 1 . 1 169 169 ASP CB C 13 39.700 0.1 . . . . . . . 169 D CB . 27059 1 367 . 1 . 1 169 169 ASP CG C 13 172.400 0.1 . . . . . . . 169 D CG . 27059 1 368 . 1 . 1 169 169 ASP N N 15 117.600 0.1 . . . . . . . 169 D N . 27059 1 369 . 1 . 1 170 170 LEU C C 13 179.200 0.1 . . . . . . . 170 L C . 27059 1 370 . 1 . 1 170 170 LEU CA C 13 57.900 0.1 . . . . . . . 170 L CA . 27059 1 371 . 1 . 1 170 170 LEU CB C 13 42.300 0.1 . . . . . . . 170 L CB . 27059 1 372 . 1 . 1 170 170 LEU CG C 13 27.000 0.1 . . . . . . . 170 L CG . 27059 1 373 . 1 . 1 170 170 LEU CD1 C 13 23.800 0.1 . . . . . . . 170 L CD1 . 27059 1 374 . 1 . 1 170 170 LEU CD2 C 13 25.400 0.1 . . . . . . . 170 L CD2 . 27059 1 375 . 1 . 1 170 170 LEU N N 15 119.500 0.1 . . . . . . . 170 L N . 27059 1 376 . 1 . 1 171 171 ILE C C 13 178.000 0.1 . . . . . . . 171 I C . 27059 1 377 . 1 . 1 171 171 ILE CA C 13 66.600 0.1 . . . . . . . 171 I CA . 27059 1 378 . 1 . 1 171 171 ILE CB C 13 37.400 0.1 . . . . . . . 171 I CB . 27059 1 379 . 1 . 1 171 171 ILE CG1 C 13 30.000 0.1 . . . . . . . 171 I CG1 . 27059 1 380 . 1 . 1 171 171 ILE CG2 C 13 17.500 0.1 . . . . . . . 171 I CG2 . 27059 1 381 . 1 . 1 171 171 ILE CD1 C 13 14.000 0.1 . . . . . . . 171 I CD1 . 27059 1 382 . 1 . 1 171 171 ILE N N 15 117.800 0.1 . . . . . . . 171 I N . 27059 1 383 . 1 . 1 172 172 MET C C 13 175.600 0.1 . . . . . . . 172 M C . 27059 1 384 . 1 . 1 172 172 MET CA C 13 59.300 0.1 . . . . . . . 172 M CA . 27059 1 385 . 1 . 1 172 172 MET CB C 13 30.100 0.1 . . . . . . . 172 M CB . 27059 1 386 . 1 . 1 172 172 MET CG C 13 34.000 0.1 . . . . . . . 172 M CG . 27059 1 387 . 1 . 1 172 172 MET N N 15 123.600 0.1 . . . . . . . 172 M N . 27059 1 388 . 1 . 1 173 173 VAL C C 13 177.800 0.1 . . . . . . . 173 V C . 27059 1 389 . 1 . 1 173 173 VAL CA C 13 67.400 0.1 . . . . . . . 173 V CA . 27059 1 390 . 1 . 1 173 173 VAL CB C 13 32.300 0.1 . . . . . . . 173 V CB . 27059 1 391 . 1 . 1 173 173 VAL CG1 C 13 23.400 0.1 . . . . . . . 173 V CG1 . 27059 1 392 . 1 . 1 173 173 VAL CG2 C 13 24.200 0.1 . . . . . . . 173 V CG2 . 27059 1 393 . 1 . 1 173 173 VAL N N 15 115.100 0.1 . . . . . . . 173 V N . 27059 1 394 . 1 . 1 174 174 LEU C C 13 177.000 0.1 . . . . . . . 174 L C . 27059 1 395 . 1 . 1 174 174 LEU CA C 13 57.000 0.1 . . . . . . . 174 L CA . 27059 1 396 . 1 . 1 174 174 LEU CB C 13 40.300 0.1 . . . . . . . 174 L CB . 27059 1 397 . 1 . 1 174 174 LEU CG C 13 27.300 0.1 . . . . . . . 174 L CG . 27059 1 398 . 1 . 1 174 174 LEU CD1 C 13 21.900 0.1 . . . . . . . 174 L CD1 . 27059 1 399 . 1 . 1 174 174 LEU CD2 C 13 26.000 0.1 . . . . . . . 174 L CD2 . 27059 1 400 . 1 . 1 174 174 LEU N N 15 116.300 0.1 . . . . . . . 174 L N . 27059 1 401 . 1 . 1 175 175 THR C C 13 177.900 0.1 . . . . . . . 175 T C . 27059 1 402 . 1 . 1 175 175 THR CA C 13 65.500 0.1 . . . . . . . 175 T CA . 27059 1 403 . 1 . 1 175 175 THR CB C 13 67.900 0.1 . . . . . . . 175 T CB . 27059 1 404 . 1 . 1 175 175 THR CG2 C 13 23.600 0.1 . . . . . . . 175 T CG2 . 27059 1 405 . 1 . 1 175 175 THR N N 15 106.000 0.1 . . . . . . . 175 T N . 27059 1 406 . 1 . 1 176 176 GLY C C 13 173.800 0.1 . . . . . . . 176 G C . 27059 1 407 . 1 . 1 176 176 GLY CA C 13 47.400 0.1 . . . . . . . 176 G CA . 27059 1 408 . 1 . 1 176 176 GLY N N 15 111.700 0.1 . . . . . . . 176 G N . 27059 1 409 . 1 . 1 177 177 LEU C C 13 178.000 0.1 . . . . . . . 177 L C . 27059 1 410 . 1 . 1 177 177 LEU CA C 13 56.800 0.1 . . . . . . . 177 L CA . 27059 1 411 . 1 . 1 177 177 LEU CB C 13 38.800 0.1 . . . . . . . 177 L CB . 27059 1 412 . 1 . 1 177 177 LEU CG C 13 27.000 0.1 . . . . . . . 177 L CG . 27059 1 413 . 1 . 1 177 177 LEU CD1 C 13 22.900 0.1 . . . . . . . 177 L CD1 . 27059 1 414 . 1 . 1 177 177 LEU CD2 C 13 26.200 0.1 . . . . . . . 177 L CD2 . 27059 1 415 . 1 . 1 177 177 LEU N N 15 123.900 0.1 . . . . . . . 177 L N . 27059 1 416 . 1 . 1 178 178 PHE C C 13 178.000 0.1 . . . . . . . 178 F C . 27059 1 417 . 1 . 1 178 178 PHE CA C 13 66.300 0.1 . . . . . . . 178 F CA . 27059 1 418 . 1 . 1 178 178 PHE CB C 13 31.500 0.1 . . . . . . . 178 F CB . 27059 1 419 . 1 . 1 178 178 PHE N N 15 114.900 0.1 . . . . . . . 178 F N . 27059 1 420 . 1 . 1 179 179 ALA C C 13 181.500 0.1 . . . . . . . 179 A C . 27059 1 421 . 1 . 1 179 179 ALA CA C 13 55.200 0.1 . . . . . . . 179 A CA . 27059 1 422 . 1 . 1 179 179 ALA CB C 13 18.600 0.1 . . . . . . . 179 A CB . 27059 1 423 . 1 . 1 179 179 ALA N N 15 121.000 0.1 . . . . . . . 179 A N . 27059 1 424 . 1 . 1 180 180 ALA C C 13 179.000 0.1 . . . . . . . 180 A C . 27059 1 425 . 1 . 1 180 180 ALA CA C 13 54.400 0.1 . . . . . . . 180 A CA . 27059 1 426 . 1 . 1 180 180 ALA CB C 13 17.300 0.1 . . . . . . . 180 A CB . 27059 1 427 . 1 . 1 180 180 ALA N N 15 121.900 0.1 . . . . . . . 180 A N . 27059 1 428 . 1 . 1 181 181 PHE C C 13 174.400 0.1 . . . . . . . 181 F C . 27059 1 429 . 1 . 1 181 181 PHE CA C 13 58.600 0.1 . . . . . . . 181 F CA . 27059 1 430 . 1 . 1 181 181 PHE N N 15 114.600 0.1 . . . . . . . 181 F N . 27059 1 431 . 1 . 1 193 193 TYR C C 13 176.400 0.1 . . . . . . . 193 Y C . 27059 1 432 . 1 . 1 193 193 TYR CA C 13 61.900 0.1 . . . . . . . 193 Y CA . 27059 1 433 . 1 . 1 193 193 TYR CB C 13 39.400 0.1 . . . . . . . 193 Y CB . 27059 1 434 . 1 . 1 193 193 TYR N N 15 115.700 0.1 . . . . . . . 193 Y N . 27059 1 435 . 1 . 1 194 194 THR C C 13 176.100 0.1 . . . . . . . 194 T C . 27059 1 436 . 1 . 1 194 194 THR CA C 13 69.000 0.1 . . . . . . . 194 T CA . 27059 1 437 . 1 . 1 194 194 THR CB C 13 68.000 0.1 . . . . . . . 194 T CB . 27059 1 438 . 1 . 1 194 194 THR CG2 C 13 21.400 0.1 . . . . . . . 194 T CG2 . 27059 1 439 . 1 . 1 194 194 THR N N 15 116.000 0.1 . . . . . . . 194 T N . 27059 1 440 . 1 . 1 195 195 ILE C C 13 176.100 0.1 . . . . . . . 195 I C . 27059 1 441 . 1 . 1 195 195 ILE CA C 13 67.000 0.1 . . . . . . . 195 I CA . 27059 1 442 . 1 . 1 195 195 ILE CB C 13 37.800 0.1 . . . . . . . 195 I CB . 27059 1 443 . 1 . 1 195 195 ILE CG1 C 13 30.600 0.1 . . . . . . . 195 I CG1 . 27059 1 444 . 1 . 1 195 195 ILE CG2 C 13 17.400 0.1 . . . . . . . 195 I CG2 . 27059 1 445 . 1 . 1 195 195 ILE CD1 C 13 12.000 0.1 . . . . . . . 195 I CD1 . 27059 1 446 . 1 . 1 195 195 ILE N N 15 121.300 0.1 . . . . . . . 195 I N . 27059 1 447 . 1 . 1 196 196 ALA C C 13 180.600 0.1 . . . . . . . 196 A C . 27059 1 448 . 1 . 1 196 196 ALA CA C 13 56.200 0.1 . . . . . . . 196 A CA . 27059 1 449 . 1 . 1 196 196 ALA CB C 13 19.700 0.1 . . . . . . . 196 A CB . 27059 1 450 . 1 . 1 196 196 ALA N N 15 122.900 0.1 . . . . . . . 196 A N . 27059 1 451 . 1 . 1 197 197 CYS C C 13 176.900 0.1 . . . . . . . 197 C C . 27059 1 452 . 1 . 1 197 197 CYS CA C 13 64.700 0.1 . . . . . . . 197 C CA . 27059 1 453 . 1 . 1 197 197 CYS CB C 13 27.800 0.1 . . . . . . . 197 C CB . 27059 1 454 . 1 . 1 197 197 CYS N N 15 115.800 0.1 . . . . . . . 197 C N . 27059 1 455 . 1 . 1 198 198 ILE C C 13 177.300 0.1 . . . . . . . 198 I C . 27059 1 456 . 1 . 1 198 198 ILE CA C 13 65.300 0.1 . . . . . . . 198 I CA . 27059 1 457 . 1 . 1 198 198 ILE CB C 13 37.100 0.1 . . . . . . . 198 I CB . 27059 1 458 . 1 . 1 198 198 ILE CG1 C 13 29.200 0.1 . . . . . . . 198 I CG1 . 27059 1 459 . 1 . 1 198 198 ILE CG2 C 13 17.800 0.1 . . . . . . . 198 I CG2 . 27059 1 460 . 1 . 1 198 198 ILE N N 15 119.800 0.1 . . . . . . . 198 I N . 27059 1 461 . 1 . 1 199 199 ALA C C 13 179.500 0.1 . . . . . . . 199 A C . 27059 1 462 . 1 . 1 199 199 ALA CA C 13 56.300 0.1 . . . . . . . 199 A CA . 27059 1 463 . 1 . 1 199 199 ALA CB C 13 17.000 0.1 . . . . . . . 199 A CB . 27059 1 464 . 1 . 1 199 199 ALA N N 15 121.500 0.1 . . . . . . . 199 A N . 27059 1 465 . 1 . 1 200 200 TYR C C 13 177.400 0.1 . . . . . . . 200 Y C . 27059 1 466 . 1 . 1 200 200 TYR CA C 13 59.700 0.1 . . . . . . . 200 Y CA . 27059 1 467 . 1 . 1 200 200 TYR CB C 13 37.600 0.1 . . . . . . . 200 Y CB . 27059 1 468 . 1 . 1 200 200 TYR N N 15 117.600 0.1 . . . . . . . 200 Y N . 27059 1 469 . 1 . 1 201 201 ILE C C 13 177.900 0.1 . . . . . . . 201 I C . 27059 1 470 . 1 . 1 201 201 ILE CA C 13 64.600 0.1 . . . . . . . 201 I CA . 27059 1 471 . 1 . 1 201 201 ILE CB C 13 35.800 0.1 . . . . . . . 201 I CB . 27059 1 472 . 1 . 1 201 201 ILE CG1 C 13 21.700 0.1 . . . . . . . 201 I CG1 . 27059 1 473 . 1 . 1 201 201 ILE CG2 C 13 16.700 0.1 . . . . . . . 201 I CG2 . 27059 1 474 . 1 . 1 201 201 ILE CD1 C 13 12.600 0.1 . . . . . . . 201 I CD1 . 27059 1 475 . 1 . 1 201 201 ILE N N 15 117.000 0.1 . . . . . . . 201 I N . 27059 1 476 . 1 . 1 203 203 VAL C C 13 177.500 0.1 . . . . . . . 203 V C . 27059 1 477 . 1 . 1 203 203 VAL CA C 13 68.400 0.1 . . . . . . . 203 V CA . 27059 1 478 . 1 . 1 203 203 VAL CB C 13 31.500 0.1 . . . . . . . 203 V CB . 27059 1 479 . 1 . 1 203 203 VAL CG2 C 13 22.500 0.1 . . . . . . . 203 V CG2 . 27059 1 480 . 1 . 1 203 203 VAL N N 15 124.200 0.1 . . . . . . . 203 V N . 27059 1 481 . 1 . 1 204 204 VAL C C 13 177.400 0.1 . . . . . . . 204 V C . 27059 1 482 . 1 . 1 204 204 VAL CA C 13 67.400 0.1 . . . . . . . 204 V CA . 27059 1 483 . 1 . 1 204 204 VAL CB C 13 30.600 0.1 . . . . . . . 204 V CB . 27059 1 484 . 1 . 1 204 204 VAL CG1 C 13 21.500 0.1 . . . . . . . 204 V CG1 . 27059 1 485 . 1 . 1 204 204 VAL CG2 C 13 22.300 0.1 . . . . . . . 204 V CG2 . 27059 1 486 . 1 . 1 204 204 VAL N N 15 118.300 0.1 . . . . . . . 204 V N . 27059 1 487 . 1 . 1 206 206 HIS C C 13 176.800 0.1 . . . . . . . 206 H C . 27059 1 488 . 1 . 1 206 206 HIS CA C 13 60.500 0.1 . . . . . . . 206 H CA . 27059 1 489 . 1 . 1 206 206 HIS CB C 13 33.800 0.1 . . . . . . . 206 H CB . 27059 1 490 . 1 . 1 206 206 HIS N N 15 116.100 0.1 . . . . . . . 206 H N . 27059 1 491 . 1 . 1 207 207 LEU C C 13 177.800 0.1 . . . . . . . 207 L C . 27059 1 492 . 1 . 1 207 207 LEU CA C 13 58.800 0.1 . . . . . . . 207 L CA . 27059 1 493 . 1 . 1 207 207 LEU CB C 13 41.300 0.1 . . . . . . . 207 L CB . 27059 1 494 . 1 . 1 207 207 LEU CG C 13 26.800 0.1 . . . . . . . 207 L CG . 27059 1 495 . 1 . 1 207 207 LEU CD1 C 13 17.400 0.1 . . . . . . . 207 L CD1 . 27059 1 496 . 1 . 1 207 207 LEU CD2 C 13 25.400 0.1 . . . . . . . 207 L CD2 . 27059 1 497 . 1 . 1 207 207 LEU N N 15 119.400 0.1 . . . . . . . 207 L N . 27059 1 498 . 1 . 1 210 210 ASN C C 13 176.700 0.1 . . . . . . . 210 N C . 27059 1 499 . 1 . 1 210 210 ASN CA C 13 55.400 0.1 . . . . . . . 210 N CA . 27059 1 500 . 1 . 1 210 210 ASN CB C 13 37.700 0.1 . . . . . . . 210 N CB . 27059 1 501 . 1 . 1 210 210 ASN CG C 13 174.900 0.1 . . . . . . . 210 N CG . 27059 1 502 . 1 . 1 210 210 ASN N N 15 114.300 0.1 . . . . . . . 210 N N . 27059 1 503 . 1 . 1 211 211 GLY C C 13 175.300 0.1 . . . . . . . 211 G C . 27059 1 504 . 1 . 1 211 211 GLY CA C 13 47.800 0.1 . . . . . . . 211 G CA . 27059 1 505 . 1 . 1 211 211 GLY N N 15 110.600 0.1 . . . . . . . 211 G N . 27059 1 506 . 1 . 1 212 212 GLY C C 13 175.300 0.1 . . . . . . . 212 G C . 27059 1 507 . 1 . 1 212 212 GLY CA C 13 47.600 0.1 . . . . . . . 212 G CA . 27059 1 508 . 1 . 1 212 212 GLY N N 15 107.100 0.1 . . . . . . . 212 G N . 27059 1 509 . 1 . 1 213 213 ALA CA C 13 54.200 0.1 . . . . . . . 213 A CA . 27059 1 510 . 1 . 1 213 213 ALA CB C 13 18.100 0.1 . . . . . . . 213 A CB . 27059 1 511 . 1 . 1 213 213 ALA N N 15 117.300 0.1 . . . . . . . 213 A N . 27059 1 512 . 1 . 1 224 224 SER C C 13 176.300 0.1 . . . . . . . 224 S C . 27059 1 513 . 1 . 1 224 224 SER CA C 13 62.200 0.1 . . . . . . . 224 S CA . 27059 1 514 . 1 . 1 224 224 SER CB C 13 62.700 0.1 . . . . . . . 224 S CB . 27059 1 515 . 1 . 1 224 224 SER N N 15 112.200 0.1 . . . . . . . 224 S N . 27059 1 516 . 1 . 1 227 227 VAL C C 13 176.200 0.1 . . . . . . . 227 V C . 27059 1 517 . 1 . 1 227 227 VAL CA C 13 66.400 0.1 . . . . . . . 227 V CA . 27059 1 518 . 1 . 1 227 227 VAL CB C 13 31.100 0.1 . . . . . . . 227 V CB . 27059 1 519 . 1 . 1 227 227 VAL CG1 C 13 21.500 0.1 . . . . . . . 227 V CG1 . 27059 1 520 . 1 . 1 227 227 VAL CG2 C 13 22.800 0.1 . . . . . . . 227 V CG2 . 27059 1 521 . 1 . 1 227 227 VAL N N 15 115.900 0.1 . . . . . . . 227 V N . 27059 1 522 . 1 . 1 228 228 ALA C C 13 177.500 0.1 . . . . . . . 228 A C . 27059 1 523 . 1 . 1 228 228 ALA CA C 13 55.500 0.1 . . . . . . . 228 A CA . 27059 1 524 . 1 . 1 228 228 ALA CB C 13 18.900 0.1 . . . . . . . 228 A CB . 27059 1 525 . 1 . 1 228 228 ALA N N 15 120.800 0.1 . . . . . . . 228 A N . 27059 1 526 . 1 . 1 229 229 ILE C C 13 178.500 0.1 . . . . . . . 229 I C . 27059 1 527 . 1 . 1 229 229 ILE CA C 13 63.800 0.1 . . . . . . . 229 I CA . 27059 1 528 . 1 . 1 229 229 ILE CB C 13 36.700 0.1 . . . . . . . 229 I CB . 27059 1 529 . 1 . 1 229 229 ILE CG1 C 13 30.600 0.1 . . . . . . . 229 I CG1 . 27059 1 530 . 1 . 1 229 229 ILE CG2 C 13 14.200 0.1 . . . . . . . 229 I CG2 . 27059 1 531 . 1 . 1 229 229 ILE CD1 C 13 12.900 0.1 . . . . . . . 229 I CD1 . 27059 1 532 . 1 . 1 229 229 ILE N N 15 117.200 0.1 . . . . . . . 229 I N . 27059 1 533 . 1 . 1 230 230 GLY C C 13 173.900 0.1 . . . . . . . 230 G C . 27059 1 534 . 1 . 1 230 230 GLY CA C 13 46.200 0.1 . . . . . . . 230 G CA . 27059 1 535 . 1 . 1 230 230 GLY N N 15 117.500 0.1 . . . . . . . 230 G N . 27059 1 536 . 1 . 1 231 231 ALA C C 13 178.400 0.1 . . . . . . . 231 A C . 27059 1 537 . 1 . 1 231 231 ALA CA C 13 55.800 0.1 . . . . . . . 231 A CA . 27059 1 538 . 1 . 1 231 231 ALA CB C 13 18.100 0.1 . . . . . . . 231 A CB . 27059 1 539 . 1 . 1 231 231 ALA N N 15 125.000 0.1 . . . . . . . 231 A N . 27059 1 540 . 1 . 1 232 232 TYR C C 13 175.100 0.1 . . . . . . . 232 Y C . 27059 1 541 . 1 . 1 232 232 TYR CA C 13 61.300 0.1 . . . . . . . 232 Y CA . 27059 1 542 . 1 . 1 232 232 TYR CB C 13 38.700 0.1 . . . . . . . 232 Y CB . 27059 1 543 . 1 . 1 232 232 TYR N N 15 116.300 0.1 . . . . . . . 232 Y N . 27059 1 544 . 1 . 1 233 233 THR C C 13 174.300 0.1 . . . . . . . 233 T C . 27059 1 545 . 1 . 1 233 233 THR CA C 13 68.100 0.1 . . . . . . . 233 T CA . 27059 1 546 . 1 . 1 233 233 THR CB C 13 67.700 0.1 . . . . . . . 233 T CB . 27059 1 547 . 1 . 1 233 233 THR CG2 C 13 19.600 0.1 . . . . . . . 233 T CG2 . 27059 1 548 . 1 . 1 233 233 THR N N 15 115.200 0.1 . . . . . . . 233 T N . 27059 1 549 . 1 . 1 235 235 ILE C C 13 175.300 0.1 . . . . . . . 235 I C . 27059 1 550 . 1 . 1 235 235 ILE CA C 13 65.700 0.1 . . . . . . . 235 I CA . 27059 1 551 . 1 . 1 235 235 ILE CB C 13 30.100 0.1 . . . . . . . 235 I CB . 27059 1 552 . 1 . 1 235 235 ILE N N 15 121.600 0.1 . . . . . . . 235 I N . 27059 1 553 . 1 . 1 236 236 LEU C C 13 179.500 0.1 . . . . . . . 236 L C . 27059 1 554 . 1 . 1 236 236 LEU CA C 13 57.300 0.1 . . . . . . . 236 L CA . 27059 1 555 . 1 . 1 236 236 LEU CB C 13 42.500 0.1 . . . . . . . 236 L CB . 27059 1 556 . 1 . 1 236 236 LEU CG C 13 26.300 0.1 . . . . . . . 236 L CG . 27059 1 557 . 1 . 1 236 236 LEU CD1 C 13 23.300 0.1 . . . . . . . 236 L CD1 . 27059 1 558 . 1 . 1 236 236 LEU N N 15 114.900 0.1 . . . . . . . 236 L N . 27059 1 559 . 1 . 1 237 237 TRP C C 13 178.400 0.1 . . . . . . . 237 W C . 27059 1 560 . 1 . 1 237 237 TRP CA C 13 61.500 0.1 . . . . . . . 237 W CA . 27059 1 561 . 1 . 1 237 237 TRP CB C 13 27.000 0.1 . . . . . . . 237 W CB . 27059 1 562 . 1 . 1 237 237 TRP N N 15 117.000 0.1 . . . . . . . 237 W N . 27059 1 563 . 1 . 1 238 238 THR C C 13 173.300 0.1 . . . . . . . 238 T C . 27059 1 564 . 1 . 1 238 238 THR CA C 13 66.300 0.1 . . . . . . . 238 T CA . 27059 1 565 . 1 . 1 238 238 THR CB C 13 68.300 0.1 . . . . . . . 238 T CB . 27059 1 566 . 1 . 1 238 238 THR CG2 C 13 21.900 0.1 . . . . . . . 238 T CG2 . 27059 1 567 . 1 . 1 238 238 THR N N 15 113.400 0.1 . . . . . . . 238 T N . 27059 1 568 . 1 . 1 239 239 ALA C C 13 179.600 0.1 . . . . . . . 239 A C . 27059 1 569 . 1 . 1 239 239 ALA CA C 13 54.500 0.1 . . . . . . . 239 A CA . 27059 1 570 . 1 . 1 239 239 ALA CB C 13 19.400 0.1 . . . . . . . 239 A CB . 27059 1 571 . 1 . 1 239 239 ALA N N 15 118.700 0.1 . . . . . . . 239 A N . 27059 1 572 . 1 . 1 240 240 TYR C C 13 175.800 0.1 . . . . . . . 240 Y C . 27059 1 573 . 1 . 1 240 240 TYR CA C 13 65.200 0.1 . . . . . . . 240 Y CA . 27059 1 574 . 1 . 1 240 240 TYR CB C 13 35.500 0.1 . . . . . . . 240 Y CB . 27059 1 575 . 1 . 1 240 240 TYR N N 15 116.200 0.1 . . . . . . . 240 Y N . 27059 1 576 . 1 . 1 241 241 PRO C C 13 180.000 0.1 . . . . . . . 241 P C . 27059 1 577 . 1 . 1 241 241 PRO CA C 13 64.800 0.1 . . . . . . . 241 P CA . 27059 1 578 . 1 . 1 241 241 PRO CB C 13 29.100 0.1 . . . . . . . 241 P CB . 27059 1 579 . 1 . 1 241 241 PRO CD C 13 49.600 0.1 . . . . . . . 241 P CD . 27059 1 580 . 1 . 1 241 241 PRO N N 15 131.200 0.1 . . . . . . . 241 P N . 27059 1 581 . 1 . 1 242 242 ILE C C 13 176.600 0.1 . . . . . . . 242 I C . 27059 1 582 . 1 . 1 242 242 ILE CA C 13 65.500 0.1 . . . . . . . 242 I CA . 27059 1 583 . 1 . 1 242 242 ILE CB C 13 37.100 0.1 . . . . . . . 242 I CB . 27059 1 584 . 1 . 1 242 242 ILE CG1 C 13 28.800 0.1 . . . . . . . 242 I CG1 . 27059 1 585 . 1 . 1 242 242 ILE CG2 C 13 16.800 0.1 . . . . . . . 242 I CG2 . 27059 1 586 . 1 . 1 242 242 ILE CD1 C 13 13.900 0.1 . . . . . . . 242 I CD1 . 27059 1 587 . 1 . 1 242 242 ILE N N 15 122.700 0.1 . . . . . . . 242 I N . 27059 1 588 . 1 . 1 243 243 VAL C C 13 177.200 0.1 . . . . . . . 243 V C . 27059 1 589 . 1 . 1 243 243 VAL CA C 13 67.500 0.1 . . . . . . . 243 V CA . 27059 1 590 . 1 . 1 243 243 VAL CB C 13 30.700 0.1 . . . . . . . 243 V CB . 27059 1 591 . 1 . 1 243 243 VAL CG1 C 13 23.000 0.1 . . . . . . . 243 V CG1 . 27059 1 592 . 1 . 1 243 243 VAL CG2 C 13 21.000 0.1 . . . . . . . 243 V CG2 . 27059 1 593 . 1 . 1 243 243 VAL N N 15 121.300 0.1 . . . . . . . 243 V N . 27059 1 594 . 1 . 1 244 244 TRP C C 13 181.000 0.1 . . . . . . . 244 W C . 27059 1 595 . 1 . 1 244 244 TRP CA C 13 61.900 0.1 . . . . . . . 244 W CA . 27059 1 596 . 1 . 1 244 244 TRP CB C 13 29.800 0.1 . . . . . . . 244 W CB . 27059 1 597 . 1 . 1 244 244 TRP CG C 13 129.700 0.1 . . . . . . . 244 W CG . 27059 1 598 . 1 . 1 244 244 TRP N N 15 118.900 0.1 . . . . . . . 244 W N . 27059 1 599 . 1 . 1 245 245 GLY C C 13 174.300 0.1 . . . . . . . 245 G C . 27059 1 600 . 1 . 1 245 245 GLY CA C 13 47.700 0.1 . . . . . . . 245 G CA . 27059 1 601 . 1 . 1 245 245 GLY N N 15 104.800 0.1 . . . . . . . 245 G N . 27059 1 602 . 1 . 1 246 246 LEU C C 13 174.300 0.1 . . . . . . . 246 L C . 27059 1 603 . 1 . 1 246 246 LEU CA C 13 60.000 0.1 . . . . . . . 246 L CA . 27059 1 604 . 1 . 1 246 246 LEU CB C 13 28.700 0.1 . . . . . . . 246 L CB . 27059 1 605 . 1 . 1 246 246 LEU N N 15 120.600 0.1 . . . . . . . 246 L N . 27059 1 606 . 1 . 1 247 247 ALA C C 13 178.500 0.1 . . . . . . . 247 A C . 27059 1 607 . 1 . 1 247 247 ALA CA C 13 52.700 0.1 . . . . . . . 247 A CA . 27059 1 608 . 1 . 1 247 247 ALA CB C 13 21.400 0.1 . . . . . . . 247 A CB . 27059 1 609 . 1 . 1 247 247 ALA N N 15 113.400 0.1 . . . . . . . 247 A N . 27059 1 610 . 1 . 1 248 248 ASP C C 13 176.800 0.1 . . . . . . . 248 D C . 27059 1 611 . 1 . 1 248 248 ASP CA C 13 53.300 0.1 . . . . . . . 248 D CA . 27059 1 612 . 1 . 1 248 248 ASP CB C 13 41.000 0.1 . . . . . . . 248 D CB . 27059 1 613 . 1 . 1 248 248 ASP N N 15 112.700 0.1 . . . . . . . 248 D N . 27059 1 614 . 1 . 1 257 257 GLY C C 13 173.600 0.1 . . . . . . . 257 G C . 27059 1 615 . 1 . 1 257 257 GLY CA C 13 44.300 0.1 . . . . . . . 257 G CA . 27059 1 616 . 1 . 1 257 257 GLY N N 15 106.600 0.1 . . . . . . . 257 G N . 27059 1 617 . 1 . 1 258 258 GLU C C 13 178.800 0.1 . . . . . . . 258 E C . 27059 1 618 . 1 . 1 258 258 GLU CA C 13 59.300 0.1 . . . . . . . 258 E CA . 27059 1 619 . 1 . 1 258 258 GLU CB C 13 29.600 0.1 . . . . . . . 258 E CB . 27059 1 620 . 1 . 1 258 258 GLU N N 15 118.400 0.1 . . . . . . . 258 E N . 27059 1 621 . 1 . 1 259 259 ILE C C 13 179.400 0.1 . . . . . . . 259 I C . 27059 1 622 . 1 . 1 259 259 ILE CA C 13 59.100 0.1 . . . . . . . 259 I CA . 27059 1 623 . 1 . 1 259 259 ILE CB C 13 31.900 0.1 . . . . . . . 259 I CB . 27059 1 624 . 1 . 1 259 259 ILE N N 15 119.900 0.1 . . . . . . . 259 I N . 27059 1 625 . 1 . 1 260 260 ILE C C 13 177.300 0.1 . . . . . . . 260 I C . 27059 1 626 . 1 . 1 260 260 ILE CA C 13 65.500 0.1 . . . . . . . 260 I CA . 27059 1 627 . 1 . 1 260 260 ILE CB C 13 37.100 0.1 . . . . . . . 260 I CB . 27059 1 628 . 1 . 1 260 260 ILE CG1 C 13 29.100 0.1 . . . . . . . 260 I CG1 . 27059 1 629 . 1 . 1 260 260 ILE CG2 C 13 17.800 0.1 . . . . . . . 260 I CG2 . 27059 1 630 . 1 . 1 260 260 ILE N N 15 119.700 0.1 . . . . . . . 260 I N . 27059 1 631 . 1 . 1 261 261 ALA C C 13 178.700 0.1 . . . . . . . 261 A C . 27059 1 632 . 1 . 1 261 261 ALA CA C 13 55.200 0.1 . . . . . . . 261 A CA . 27059 1 633 . 1 . 1 261 261 ALA CB C 13 18.500 0.1 . . . . . . . 261 A CB . 27059 1 634 . 1 . 1 261 261 ALA N N 15 120.000 0.1 . . . . . . . 261 A N . 27059 1 635 . 1 . 1 262 262 TYR C C 13 177.200 0.1 . . . . . . . 262 Y C . 27059 1 636 . 1 . 1 262 262 TYR CA C 13 60.400 0.1 . . . . . . . 262 Y CA . 27059 1 637 . 1 . 1 262 262 TYR CB C 13 38.500 0.1 . . . . . . . 262 Y CB . 27059 1 638 . 1 . 1 262 262 TYR N N 15 112.100 0.1 . . . . . . . 262 Y N . 27059 1 639 . 1 . 1 263 263 ALA C C 13 178.400 0.1 . . . . . . . 263 A C . 27059 1 640 . 1 . 1 263 263 ALA CA C 13 54.800 0.1 . . . . . . . 263 A CA . 27059 1 641 . 1 . 1 263 263 ALA CB C 13 17.800 0.1 . . . . . . . 263 A CB . 27059 1 642 . 1 . 1 263 263 ALA N N 15 123.600 0.1 . . . . . . . 263 A N . 27059 1 643 . 1 . 1 264 264 VAL C C 13 177.500 0.1 . . . . . . . 264 V C . 27059 1 644 . 1 . 1 264 264 VAL CA C 13 66.700 0.1 . . . . . . . 264 V CA . 27059 1 645 . 1 . 1 264 264 VAL CB C 13 31.600 0.1 . . . . . . . 264 V CB . 27059 1 646 . 1 . 1 264 264 VAL CG2 C 13 19.900 0.1 . . . . . . . 264 V CG2 . 27059 1 647 . 1 . 1 264 264 VAL N N 15 115.700 0.1 . . . . . . . 264 V N . 27059 1 648 . 1 . 1 265 265 LEU C C 13 177.700 0.1 . . . . . . . 265 L C . 27059 1 649 . 1 . 1 265 265 LEU CA C 13 58.500 0.1 . . . . . . . 265 L CA . 27059 1 650 . 1 . 1 265 265 LEU CB C 13 41.300 0.1 . . . . . . . 265 L CB . 27059 1 651 . 1 . 1 265 265 LEU CG C 13 24.200 0.1 . . . . . . . 265 L CG . 27059 1 652 . 1 . 1 265 265 LEU CD1 C 13 22.600 0.1 . . . . . . . 265 L CD1 . 27059 1 653 . 1 . 1 265 265 LEU CD2 C 13 23.600 0.1 . . . . . . . 265 L CD2 . 27059 1 654 . 1 . 1 265 265 LEU N N 15 116.800 0.1 . . . . . . . 265 L N . 27059 1 655 . 1 . 1 266 266 ASP C C 13 180.300 0.1 . . . . . . . 266 D C . 27059 1 656 . 1 . 1 266 266 ASP CA C 13 57.400 0.1 . . . . . . . 266 D CA . 27059 1 657 . 1 . 1 266 266 ASP CB C 13 39.700 0.1 . . . . . . . 266 D CB . 27059 1 658 . 1 . 1 266 266 ASP CG C 13 177.500 0.1 . . . . . . . 266 D CG . 27059 1 659 . 1 . 1 266 266 ASP N N 15 117.800 0.1 . . . . . . . 266 D N . 27059 1 660 . 1 . 1 267 267 VAL C C 13 179.500 0.1 . . . . . . . 267 V C . 27059 1 661 . 1 . 1 267 267 VAL CA C 13 68.100 0.1 . . . . . . . 267 V CA . 27059 1 662 . 1 . 1 267 267 VAL CB C 13 31.100 0.1 . . . . . . . 267 V CB . 27059 1 663 . 1 . 1 267 267 VAL CG1 C 13 24.600 0.1 . . . . . . . 267 V CG1 . 27059 1 664 . 1 . 1 267 267 VAL CG2 C 13 21.300 0.1 . . . . . . . 267 V CG2 . 27059 1 665 . 1 . 1 267 267 VAL N N 15 119.200 0.1 . . . . . . . 267 V N . 27059 1 666 . 1 . 1 268 268 LEU C C 13 180.400 0.1 . . . . . . . 268 L C . 27059 1 667 . 1 . 1 268 268 LEU CA C 13 58.500 0.1 . . . . . . . 268 L CA . 27059 1 668 . 1 . 1 268 268 LEU CB C 13 41.000 0.1 . . . . . . . 268 L CB . 27059 1 669 . 1 . 1 268 268 LEU CG C 13 27.000 0.1 . . . . . . . 268 L CG . 27059 1 670 . 1 . 1 268 268 LEU CD1 C 13 26.400 0.1 . . . . . . . 268 L CD1 . 27059 1 671 . 1 . 1 268 268 LEU CD2 C 13 17.200 0.1 . . . . . . . 268 L CD2 . 27059 1 672 . 1 . 1 268 268 LEU N N 15 121.500 0.1 . . . . . . . 268 L N . 27059 1 673 . 1 . 1 269 269 ALA C C 13 176.800 0.1 . . . . . . . 269 A C . 27059 1 674 . 1 . 1 269 269 ALA CA C 13 54.300 0.1 . . . . . . . 269 A CA . 27059 1 675 . 1 . 1 269 269 ALA CB C 13 19.000 0.1 . . . . . . . 269 A CB . 27059 1 676 . 1 . 1 269 269 ALA N N 15 124.900 0.1 . . . . . . . 269 A N . 27059 1 677 . 1 . 1 270 270 LYS C C 13 177.700 0.1 . . . . . . . 270 K C . 27059 1 678 . 1 . 1 270 270 LYS CA C 13 57.900 0.1 . . . . . . . 270 K CA . 27059 1 679 . 1 . 1 270 270 LYS CB C 13 36.200 0.1 . . . . . . . 270 K CB . 27059 1 680 . 1 . 1 270 270 LYS CG C 13 27.800 0.1 . . . . . . . 270 K CG . 27059 1 681 . 1 . 1 270 270 LYS CD C 13 31.400 0.1 . . . . . . . 270 K CD . 27059 1 682 . 1 . 1 270 270 LYS CE C 13 55.300 0.1 . . . . . . . 270 K CE . 27059 1 683 . 1 . 1 270 270 LYS N N 15 109.800 0.1 . . . . . . . 270 K N . 27059 1 684 . 1 . 1 270 270 LYS NZ N 15 172.900 0.1 . . . . . . . 270 K NZ . 27059 1 685 . 1 . 1 271 271 GLY C C 13 173.900 0.1 . . . . . . . 271 G C . 27059 1 686 . 1 . 1 271 271 GLY CA C 13 47.500 0.1 . . . . . . . 271 G CA . 27059 1 687 . 1 . 1 271 271 GLY N N 15 106.600 0.1 . . . . . . . 271 G N . 27059 1 688 . 1 . 1 272 272 VAL C C 13 177.200 0.1 . . . . . . . 272 V C . 27059 1 689 . 1 . 1 272 272 VAL CA C 13 67.400 0.1 . . . . . . . 272 V CA . 27059 1 690 . 1 . 1 272 272 VAL CB C 13 30.400 0.1 . . . . . . . 272 V CB . 27059 1 691 . 1 . 1 272 272 VAL CG1 C 13 21.700 0.1 . . . . . . . 272 V CG1 . 27059 1 692 . 1 . 1 272 272 VAL CG2 C 13 23.100 0.1 . . . . . . . 272 V CG2 . 27059 1 693 . 1 . 1 272 272 VAL N N 15 122.000 0.1 . . . . . . . 272 V N . 27059 1 694 . 1 . 1 273 273 PHE C C 13 175.300 0.1 . . . . . . . 273 F C . 27059 1 695 . 1 . 1 273 273 PHE CA C 13 61.900 0.1 . . . . . . . 273 F CA . 27059 1 696 . 1 . 1 273 273 PHE CB C 13 41.400 0.1 . . . . . . . 273 F CB . 27059 1 697 . 1 . 1 273 273 PHE CG C 13 137.300 0.1 . . . . . . . 273 F CG . 27059 1 698 . 1 . 1 273 273 PHE N N 15 117.300 0.1 . . . . . . . 273 F N . 27059 1 699 . 1 . 1 274 274 GLY C C 13 173.600 0.1 . . . . . . . 274 G C . 27059 1 700 . 1 . 1 274 274 GLY CA C 13 47.600 0.1 . . . . . . . 274 G CA . 27059 1 701 . 1 . 1 274 274 GLY N N 15 104.000 0.1 . . . . . . . 274 G N . 27059 1 702 . 1 . 1 275 275 ALA C C 13 177.800 0.1 . . . . . . . 275 A C . 27059 1 703 . 1 . 1 275 275 ALA CA C 13 55.200 0.1 . . . . . . . 275 A CA . 27059 1 704 . 1 . 1 275 275 ALA CB C 13 18.600 0.1 . . . . . . . 275 A CB . 27059 1 705 . 1 . 1 275 275 ALA N N 15 122.700 0.1 . . . . . . . 275 A N . 27059 1 706 . 1 . 1 276 276 TRP C C 13 175.000 0.1 . . . . . . . 276 W C . 27059 1 707 . 1 . 1 276 276 TRP CA C 13 58.500 0.1 . . . . . . . 276 W CA . 27059 1 708 . 1 . 1 276 276 TRP CB C 13 28.400 0.1 . . . . . . . 276 W CB . 27059 1 709 . 1 . 1 276 276 TRP N N 15 113.600 0.1 . . . . . . . 276 W N . 27059 1 710 . 1 . 1 277 277 LEU C C 13 177.000 0.1 . . . . . . . 277 L C . 27059 1 711 . 1 . 1 277 277 LEU CA C 13 60.100 0.1 . . . . . . . 277 L CA . 27059 1 712 . 1 . 1 277 277 LEU CB C 13 38.200 0.1 . . . . . . . 277 L CB . 27059 1 713 . 1 . 1 277 277 LEU N N 15 112.500 0.1 . . . . . . . 277 L N . 27059 1 stop_ save_