data_51430 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51430 _Entry.Title ; ILV Methyl NMR Resonance Assignments of the 81 kDa E. coli b-clamp T45R/S107R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-06 _Entry.Accession_date 2022-05-06 _Entry.Last_release_date 2022-05-07 _Entry.Original_release_date 2022-05-07 _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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Socheata Lim . . . . 51430 2 Sam Madhi . . . . 51430 3 Penny Beuning . J. . . 51430 4 Dmitry Korzhnev . M. . . 51430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 159 51430 '1H chemical shifts' 477 51430 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-10-10 2022-05-06 update BMRB 'update entry citation' 51430 1 . . 2022-07-03 2022-05-06 original author 'original release' 51430 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51431 'ILV Methyl NMR Resonance Assignments of the 91 kDa E. coli b-clamp' 51430 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51430 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35687262 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; ILV methyl NMR resonance assignments of the 81 kDa E. coli beta-clamp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 317 _Citation.Page_last 323 _Citation.Year 2022 _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 Socheata Lim . . . . 51430 1 2 Sam Madhi . . . . 51430 1 3 Penny Beuning . J. . . 51430 1 4 Dmitry Korzhnev . M. . . 51430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51430 _Assembly.ID 1 _Assembly.Name 'The E. coli b clamp T45R/S107R' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'The E. coli b clamp T45R/S107R' 1 $entity_1 . . yes native no no . . . 51430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51430 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKFTVEREHLLKPLQQVSGP LGGRPTLPILGNLLLQVADG TLSLRGTDLEMEMVARVALV QPHEPGATTVPARKFFDICR GLPEGAEIAVQLEGERMLVR SGRSRFRLSTLPAADFPNLD DWQSEVEFTLPQATMKRLIE ATQFSMAHQDVRYYLNGMLF ETEGEELRTVATDGHRLAVC SMPIGQSLPSHSVIVPRKGV IELMRMLDGGDNPLRVQIGS NNIRAHVGDFIFTSKLVDGR FPDYRRVLPKNPDKHLEAGC DLLKQAFARAAILSNEKFRG VRLYVSENQLKITANNPEQE EAEEILDVTYSGAEMEIGFN VSYVLDVLNALKCENVRMML TDSVSSVQIEDAASQSAAYV VMPMRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 366 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51430 1 2 . LYS . 51430 1 3 . PHE . 51430 1 4 . THR . 51430 1 5 . VAL . 51430 1 6 . GLU . 51430 1 7 . ARG . 51430 1 8 . GLU . 51430 1 9 . HIS . 51430 1 10 . LEU . 51430 1 11 . LEU . 51430 1 12 . LYS . 51430 1 13 . PRO . 51430 1 14 . LEU . 51430 1 15 . GLN . 51430 1 16 . GLN . 51430 1 17 . VAL . 51430 1 18 . SER . 51430 1 19 . GLY . 51430 1 20 . PRO . 51430 1 21 . LEU . 51430 1 22 . GLY . 51430 1 23 . GLY . 51430 1 24 . ARG . 51430 1 25 . PRO . 51430 1 26 . THR . 51430 1 27 . LEU . 51430 1 28 . PRO . 51430 1 29 . ILE . 51430 1 30 . LEU . 51430 1 31 . GLY . 51430 1 32 . ASN . 51430 1 33 . LEU . 51430 1 34 . LEU . 51430 1 35 . LEU . 51430 1 36 . GLN . 51430 1 37 . VAL . 51430 1 38 . ALA . 51430 1 39 . ASP . 51430 1 40 . GLY . 51430 1 41 . THR . 51430 1 42 . LEU . 51430 1 43 . SER . 51430 1 44 . LEU . 51430 1 45 . ARG . 51430 1 46 . GLY . 51430 1 47 . THR . 51430 1 48 . ASP . 51430 1 49 . LEU . 51430 1 50 . GLU . 51430 1 51 . MET . 51430 1 52 . GLU . 51430 1 53 . MET . 51430 1 54 . VAL . 51430 1 55 . ALA . 51430 1 56 . ARG . 51430 1 57 . VAL . 51430 1 58 . ALA . 51430 1 59 . LEU . 51430 1 60 . VAL . 51430 1 61 . GLN . 51430 1 62 . PRO . 51430 1 63 . HIS . 51430 1 64 . GLU . 51430 1 65 . PRO . 51430 1 66 . GLY . 51430 1 67 . ALA . 51430 1 68 . THR . 51430 1 69 . THR . 51430 1 70 . VAL . 51430 1 71 . PRO . 51430 1 72 . ALA . 51430 1 73 . ARG . 51430 1 74 . LYS . 51430 1 75 . PHE . 51430 1 76 . PHE . 51430 1 77 . ASP . 51430 1 78 . ILE . 51430 1 79 . CYS . 51430 1 80 . ARG . 51430 1 81 . GLY . 51430 1 82 . LEU . 51430 1 83 . PRO . 51430 1 84 . GLU . 51430 1 85 . GLY . 51430 1 86 . ALA . 51430 1 87 . GLU . 51430 1 88 . ILE . 51430 1 89 . ALA . 51430 1 90 . VAL . 51430 1 91 . GLN . 51430 1 92 . LEU . 51430 1 93 . GLU . 51430 1 94 . GLY . 51430 1 95 . GLU . 51430 1 96 . ARG . 51430 1 97 . MET . 51430 1 98 . LEU . 51430 1 99 . VAL . 51430 1 100 . ARG . 51430 1 101 . SER . 51430 1 102 . GLY . 51430 1 103 . ARG . 51430 1 104 . SER . 51430 1 105 . ARG . 51430 1 106 . PHE . 51430 1 107 . ARG . 51430 1 108 . LEU . 51430 1 109 . SER . 51430 1 110 . THR . 51430 1 111 . LEU . 51430 1 112 . PRO . 51430 1 113 . ALA . 51430 1 114 . ALA . 51430 1 115 . ASP . 51430 1 116 . PHE . 51430 1 117 . PRO . 51430 1 118 . ASN . 51430 1 119 . LEU . 51430 1 120 . ASP . 51430 1 121 . ASP . 51430 1 122 . TRP . 51430 1 123 . GLN . 51430 1 124 . SER . 51430 1 125 . GLU . 51430 1 126 . VAL . 51430 1 127 . GLU . 51430 1 128 . PHE . 51430 1 129 . THR . 51430 1 130 . LEU . 51430 1 131 . PRO . 51430 1 132 . GLN . 51430 1 133 . ALA . 51430 1 134 . THR . 51430 1 135 . MET . 51430 1 136 . LYS . 51430 1 137 . ARG . 51430 1 138 . LEU . 51430 1 139 . ILE . 51430 1 140 . GLU . 51430 1 141 . ALA . 51430 1 142 . THR . 51430 1 143 . GLN . 51430 1 144 . PHE . 51430 1 145 . SER . 51430 1 146 . MET . 51430 1 147 . ALA . 51430 1 148 . HIS . 51430 1 149 . GLN . 51430 1 150 . ASP . 51430 1 151 . VAL . 51430 1 152 . ARG . 51430 1 153 . TYR . 51430 1 154 . TYR . 51430 1 155 . LEU . 51430 1 156 . ASN . 51430 1 157 . GLY . 51430 1 158 . MET . 51430 1 159 . LEU . 51430 1 160 . PHE . 51430 1 161 . GLU . 51430 1 162 . THR . 51430 1 163 . GLU . 51430 1 164 . GLY . 51430 1 165 . GLU . 51430 1 166 . GLU . 51430 1 167 . LEU . 51430 1 168 . ARG . 51430 1 169 . THR . 51430 1 170 . VAL . 51430 1 171 . ALA . 51430 1 172 . THR . 51430 1 173 . ASP . 51430 1 174 . GLY . 51430 1 175 . HIS . 51430 1 176 . ARG . 51430 1 177 . LEU . 51430 1 178 . ALA . 51430 1 179 . VAL . 51430 1 180 . CYS . 51430 1 181 . SER . 51430 1 182 . MET . 51430 1 183 . PRO . 51430 1 184 . ILE . 51430 1 185 . GLY . 51430 1 186 . GLN . 51430 1 187 . SER . 51430 1 188 . LEU . 51430 1 189 . PRO . 51430 1 190 . SER . 51430 1 191 . HIS . 51430 1 192 . SER . 51430 1 193 . VAL . 51430 1 194 . ILE . 51430 1 195 . VAL . 51430 1 196 . PRO . 51430 1 197 . ARG . 51430 1 198 . LYS . 51430 1 199 . GLY . 51430 1 200 . VAL . 51430 1 201 . ILE . 51430 1 202 . GLU . 51430 1 203 . LEU . 51430 1 204 . MET . 51430 1 205 . ARG . 51430 1 206 . MET . 51430 1 207 . LEU . 51430 1 208 . ASP . 51430 1 209 . GLY . 51430 1 210 . GLY . 51430 1 211 . ASP . 51430 1 212 . ASN . 51430 1 213 . PRO . 51430 1 214 . LEU . 51430 1 215 . ARG . 51430 1 216 . VAL . 51430 1 217 . GLN . 51430 1 218 . ILE . 51430 1 219 . GLY . 51430 1 220 . SER . 51430 1 221 . ASN . 51430 1 222 . ASN . 51430 1 223 . ILE . 51430 1 224 . ARG . 51430 1 225 . ALA . 51430 1 226 . HIS . 51430 1 227 . VAL . 51430 1 228 . GLY . 51430 1 229 . ASP . 51430 1 230 . PHE . 51430 1 231 . ILE . 51430 1 232 . PHE . 51430 1 233 . THR . 51430 1 234 . SER . 51430 1 235 . LYS . 51430 1 236 . LEU . 51430 1 237 . VAL . 51430 1 238 . ASP . 51430 1 239 . GLY . 51430 1 240 . ARG . 51430 1 241 . PHE . 51430 1 242 . PRO . 51430 1 243 . ASP . 51430 1 244 . TYR . 51430 1 245 . ARG . 51430 1 246 . ARG . 51430 1 247 . VAL . 51430 1 248 . LEU . 51430 1 249 . PRO . 51430 1 250 . LYS . 51430 1 251 . ASN . 51430 1 252 . PRO . 51430 1 253 . ASP . 51430 1 254 . LYS . 51430 1 255 . HIS . 51430 1 256 . LEU . 51430 1 257 . GLU . 51430 1 258 . ALA . 51430 1 259 . GLY . 51430 1 260 . CYS . 51430 1 261 . ASP . 51430 1 262 . LEU . 51430 1 263 . LEU . 51430 1 264 . LYS . 51430 1 265 . GLN . 51430 1 266 . ALA . 51430 1 267 . PHE . 51430 1 268 . ALA . 51430 1 269 . ARG . 51430 1 270 . ALA . 51430 1 271 . ALA . 51430 1 272 . ILE . 51430 1 273 . LEU . 51430 1 274 . SER . 51430 1 275 . ASN . 51430 1 276 . GLU . 51430 1 277 . LYS . 51430 1 278 . PHE . 51430 1 279 . ARG . 51430 1 280 . GLY . 51430 1 281 . VAL . 51430 1 282 . ARG . 51430 1 283 . LEU . 51430 1 284 . TYR . 51430 1 285 . VAL . 51430 1 286 . SER . 51430 1 287 . GLU . 51430 1 288 . ASN . 51430 1 289 . GLN . 51430 1 290 . LEU . 51430 1 291 . LYS . 51430 1 292 . ILE . 51430 1 293 . THR . 51430 1 294 . ALA . 51430 1 295 . ASN . 51430 1 296 . ASN . 51430 1 297 . PRO . 51430 1 298 . GLU . 51430 1 299 . GLN . 51430 1 300 . GLU . 51430 1 301 . GLU . 51430 1 302 . ALA . 51430 1 303 . GLU . 51430 1 304 . GLU . 51430 1 305 . ILE . 51430 1 306 . LEU . 51430 1 307 . ASP . 51430 1 308 . VAL . 51430 1 309 . THR . 51430 1 310 . TYR . 51430 1 311 . SER . 51430 1 312 . GLY . 51430 1 313 . ALA . 51430 1 314 . GLU . 51430 1 315 . MET . 51430 1 316 . GLU . 51430 1 317 . ILE . 51430 1 318 . GLY . 51430 1 319 . PHE . 51430 1 320 . ASN . 51430 1 321 . VAL . 51430 1 322 . SER . 51430 1 323 . TYR . 51430 1 324 . VAL . 51430 1 325 . LEU . 51430 1 326 . ASP . 51430 1 327 . VAL . 51430 1 328 . LEU . 51430 1 329 . ASN . 51430 1 330 . ALA . 51430 1 331 . LEU . 51430 1 332 . LYS . 51430 1 333 . CYS . 51430 1 334 . GLU . 51430 1 335 . ASN . 51430 1 336 . VAL . 51430 1 337 . ARG . 51430 1 338 . MET . 51430 1 339 . MET . 51430 1 340 . LEU . 51430 1 341 . THR . 51430 1 342 . ASP . 51430 1 343 . SER . 51430 1 344 . VAL . 51430 1 345 . SER . 51430 1 346 . SER . 51430 1 347 . VAL . 51430 1 348 . GLN . 51430 1 349 . ILE . 51430 1 350 . GLU . 51430 1 351 . ASP . 51430 1 352 . ALA . 51430 1 353 . ALA . 51430 1 354 . SER . 51430 1 355 . GLN . 51430 1 356 . SER . 51430 1 357 . ALA . 51430 1 358 . ALA . 51430 1 359 . TYR . 51430 1 360 . VAL . 51430 1 361 . VAL . 51430 1 362 . MET . 51430 1 363 . PRO . 51430 1 364 . MET . 51430 1 365 . ARG . 51430 1 366 . LEU . 51430 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 51430 1 . LYS 2 2 51430 1 . PHE 3 3 51430 1 . THR 4 4 51430 1 . VAL 5 5 51430 1 . GLU 6 6 51430 1 . ARG 7 7 51430 1 . GLU 8 8 51430 1 . HIS 9 9 51430 1 . LEU 10 10 51430 1 . LEU 11 11 51430 1 . LYS 12 12 51430 1 . PRO 13 13 51430 1 . LEU 14 14 51430 1 . GLN 15 15 51430 1 . GLN 16 16 51430 1 . VAL 17 17 51430 1 . SER 18 18 51430 1 . GLY 19 19 51430 1 . PRO 20 20 51430 1 . LEU 21 21 51430 1 . GLY 22 22 51430 1 . GLY 23 23 51430 1 . ARG 24 24 51430 1 . PRO 25 25 51430 1 . THR 26 26 51430 1 . LEU 27 27 51430 1 . PRO 28 28 51430 1 . ILE 29 29 51430 1 . LEU 30 30 51430 1 . GLY 31 31 51430 1 . ASN 32 32 51430 1 . LEU 33 33 51430 1 . LEU 34 34 51430 1 . LEU 35 35 51430 1 . GLN 36 36 51430 1 . VAL 37 37 51430 1 . ALA 38 38 51430 1 . ASP 39 39 51430 1 . GLY 40 40 51430 1 . THR 41 41 51430 1 . LEU 42 42 51430 1 . SER 43 43 51430 1 . LEU 44 44 51430 1 . ARG 45 45 51430 1 . GLY 46 46 51430 1 . THR 47 47 51430 1 . ASP 48 48 51430 1 . LEU 49 49 51430 1 . GLU 50 50 51430 1 . MET 51 51 51430 1 . GLU 52 52 51430 1 . MET 53 53 51430 1 . VAL 54 54 51430 1 . ALA 55 55 51430 1 . ARG 56 56 51430 1 . VAL 57 57 51430 1 . ALA 58 58 51430 1 . LEU 59 59 51430 1 . VAL 60 60 51430 1 . GLN 61 61 51430 1 . PRO 62 62 51430 1 . HIS 63 63 51430 1 . GLU 64 64 51430 1 . PRO 65 65 51430 1 . GLY 66 66 51430 1 . ALA 67 67 51430 1 . THR 68 68 51430 1 . THR 69 69 51430 1 . VAL 70 70 51430 1 . PRO 71 71 51430 1 . ALA 72 72 51430 1 . ARG 73 73 51430 1 . LYS 74 74 51430 1 . PHE 75 75 51430 1 . PHE 76 76 51430 1 . ASP 77 77 51430 1 . ILE 78 78 51430 1 . CYS 79 79 51430 1 . ARG 80 80 51430 1 . GLY 81 81 51430 1 . LEU 82 82 51430 1 . PRO 83 83 51430 1 . GLU 84 84 51430 1 . GLY 85 85 51430 1 . ALA 86 86 51430 1 . GLU 87 87 51430 1 . ILE 88 88 51430 1 . ALA 89 89 51430 1 . VAL 90 90 51430 1 . GLN 91 91 51430 1 . LEU 92 92 51430 1 . GLU 93 93 51430 1 . GLY 94 94 51430 1 . GLU 95 95 51430 1 . ARG 96 96 51430 1 . MET 97 97 51430 1 . LEU 98 98 51430 1 . VAL 99 99 51430 1 . ARG 100 100 51430 1 . SER 101 101 51430 1 . GLY 102 102 51430 1 . ARG 103 103 51430 1 . SER 104 104 51430 1 . ARG 105 105 51430 1 . PHE 106 106 51430 1 . ARG 107 107 51430 1 . LEU 108 108 51430 1 . SER 109 109 51430 1 . THR 110 110 51430 1 . LEU 111 111 51430 1 . PRO 112 112 51430 1 . ALA 113 113 51430 1 . ALA 114 114 51430 1 . ASP 115 115 51430 1 . PHE 116 116 51430 1 . PRO 117 117 51430 1 . ASN 118 118 51430 1 . LEU 119 119 51430 1 . ASP 120 120 51430 1 . ASP 121 121 51430 1 . TRP 122 122 51430 1 . GLN 123 123 51430 1 . SER 124 124 51430 1 . GLU 125 125 51430 1 . VAL 126 126 51430 1 . GLU 127 127 51430 1 . PHE 128 128 51430 1 . THR 129 129 51430 1 . LEU 130 130 51430 1 . PRO 131 131 51430 1 . GLN 132 132 51430 1 . ALA 133 133 51430 1 . THR 134 134 51430 1 . MET 135 135 51430 1 . LYS 136 136 51430 1 . ARG 137 137 51430 1 . LEU 138 138 51430 1 . ILE 139 139 51430 1 . GLU 140 140 51430 1 . ALA 141 141 51430 1 . THR 142 142 51430 1 . GLN 143 143 51430 1 . PHE 144 144 51430 1 . SER 145 145 51430 1 . MET 146 146 51430 1 . ALA 147 147 51430 1 . HIS 148 148 51430 1 . GLN 149 149 51430 1 . ASP 150 150 51430 1 . VAL 151 151 51430 1 . ARG 152 152 51430 1 . TYR 153 153 51430 1 . TYR 154 154 51430 1 . LEU 155 155 51430 1 . ASN 156 156 51430 1 . GLY 157 157 51430 1 . MET 158 158 51430 1 . LEU 159 159 51430 1 . PHE 160 160 51430 1 . GLU 161 161 51430 1 . THR 162 162 51430 1 . GLU 163 163 51430 1 . GLY 164 164 51430 1 . GLU 165 165 51430 1 . GLU 166 166 51430 1 . LEU 167 167 51430 1 . ARG 168 168 51430 1 . THR 169 169 51430 1 . VAL 170 170 51430 1 . ALA 171 171 51430 1 . THR 172 172 51430 1 . ASP 173 173 51430 1 . GLY 174 174 51430 1 . HIS 175 175 51430 1 . ARG 176 176 51430 1 . LEU 177 177 51430 1 . ALA 178 178 51430 1 . VAL 179 179 51430 1 . CYS 180 180 51430 1 . SER 181 181 51430 1 . MET 182 182 51430 1 . PRO 183 183 51430 1 . ILE 184 184 51430 1 . GLY 185 185 51430 1 . GLN 186 186 51430 1 . SER 187 187 51430 1 . LEU 188 188 51430 1 . PRO 189 189 51430 1 . SER 190 190 51430 1 . HIS 191 191 51430 1 . SER 192 192 51430 1 . VAL 193 193 51430 1 . ILE 194 194 51430 1 . VAL 195 195 51430 1 . PRO 196 196 51430 1 . ARG 197 197 51430 1 . LYS 198 198 51430 1 . GLY 199 199 51430 1 . VAL 200 200 51430 1 . ILE 201 201 51430 1 . GLU 202 202 51430 1 . LEU 203 203 51430 1 . MET 204 204 51430 1 . ARG 205 205 51430 1 . MET 206 206 51430 1 . LEU 207 207 51430 1 . ASP 208 208 51430 1 . GLY 209 209 51430 1 . GLY 210 210 51430 1 . ASP 211 211 51430 1 . ASN 212 212 51430 1 . PRO 213 213 51430 1 . LEU 214 214 51430 1 . ARG 215 215 51430 1 . VAL 216 216 51430 1 . GLN 217 217 51430 1 . ILE 218 218 51430 1 . GLY 219 219 51430 1 . SER 220 220 51430 1 . ASN 221 221 51430 1 . ASN 222 222 51430 1 . ILE 223 223 51430 1 . ARG 224 224 51430 1 . ALA 225 225 51430 1 . HIS 226 226 51430 1 . VAL 227 227 51430 1 . GLY 228 228 51430 1 . ASP 229 229 51430 1 . PHE 230 230 51430 1 . ILE 231 231 51430 1 . PHE 232 232 51430 1 . THR 233 233 51430 1 . SER 234 234 51430 1 . LYS 235 235 51430 1 . LEU 236 236 51430 1 . VAL 237 237 51430 1 . ASP 238 238 51430 1 . GLY 239 239 51430 1 . ARG 240 240 51430 1 . PHE 241 241 51430 1 . PRO 242 242 51430 1 . ASP 243 243 51430 1 . TYR 244 244 51430 1 . ARG 245 245 51430 1 . ARG 246 246 51430 1 . VAL 247 247 51430 1 . LEU 248 248 51430 1 . PRO 249 249 51430 1 . LYS 250 250 51430 1 . ASN 251 251 51430 1 . PRO 252 252 51430 1 . ASP 253 253 51430 1 . LYS 254 254 51430 1 . HIS 255 255 51430 1 . LEU 256 256 51430 1 . GLU 257 257 51430 1 . ALA 258 258 51430 1 . GLY 259 259 51430 1 . CYS 260 260 51430 1 . ASP 261 261 51430 1 . LEU 262 262 51430 1 . LEU 263 263 51430 1 . LYS 264 264 51430 1 . GLN 265 265 51430 1 . ALA 266 266 51430 1 . PHE 267 267 51430 1 . ALA 268 268 51430 1 . ARG 269 269 51430 1 . ALA 270 270 51430 1 . ALA 271 271 51430 1 . ILE 272 272 51430 1 . LEU 273 273 51430 1 . SER 274 274 51430 1 . ASN 275 275 51430 1 . GLU 276 276 51430 1 . LYS 277 277 51430 1 . PHE 278 278 51430 1 . ARG 279 279 51430 1 . GLY 280 280 51430 1 . VAL 281 281 51430 1 . ARG 282 282 51430 1 . LEU 283 283 51430 1 . TYR 284 284 51430 1 . VAL 285 285 51430 1 . SER 286 286 51430 1 . GLU 287 287 51430 1 . ASN 288 288 51430 1 . GLN 289 289 51430 1 . LEU 290 290 51430 1 . LYS 291 291 51430 1 . ILE 292 292 51430 1 . THR 293 293 51430 1 . ALA 294 294 51430 1 . ASN 295 295 51430 1 . ASN 296 296 51430 1 . PRO 297 297 51430 1 . GLU 298 298 51430 1 . GLN 299 299 51430 1 . GLU 300 300 51430 1 . GLU 301 301 51430 1 . ALA 302 302 51430 1 . GLU 303 303 51430 1 . GLU 304 304 51430 1 . ILE 305 305 51430 1 . LEU 306 306 51430 1 . ASP 307 307 51430 1 . VAL 308 308 51430 1 . THR 309 309 51430 1 . TYR 310 310 51430 1 . SER 311 311 51430 1 . GLY 312 312 51430 1 . ALA 313 313 51430 1 . GLU 314 314 51430 1 . MET 315 315 51430 1 . GLU 316 316 51430 1 . ILE 317 317 51430 1 . GLY 318 318 51430 1 . PHE 319 319 51430 1 . ASN 320 320 51430 1 . VAL 321 321 51430 1 . SER 322 322 51430 1 . TYR 323 323 51430 1 . VAL 324 324 51430 1 . LEU 325 325 51430 1 . ASP 326 326 51430 1 . VAL 327 327 51430 1 . LEU 328 328 51430 1 . ASN 329 329 51430 1 . ALA 330 330 51430 1 . LEU 331 331 51430 1 . LYS 332 332 51430 1 . CYS 333 333 51430 1 . GLU 334 334 51430 1 . ASN 335 335 51430 1 . VAL 336 336 51430 1 . ARG 337 337 51430 1 . MET 338 338 51430 1 . MET 339 339 51430 1 . LEU 340 340 51430 1 . THR 341 341 51430 1 . ASP 342 342 51430 1 . SER 343 343 51430 1 . VAL 344 344 51430 1 . SER 345 345 51430 1 . SER 346 346 51430 1 . VAL 347 347 51430 1 . GLN 348 348 51430 1 . ILE 349 349 51430 1 . GLU 350 350 51430 1 . ASP 351 351 51430 1 . ALA 352 352 51430 1 . ALA 353 353 51430 1 . SER 354 354 51430 1 . GLN 355 355 51430 1 . SER 356 356 51430 1 . ALA 357 357 51430 1 . ALA 358 358 51430 1 . TYR 359 359 51430 1 . VAL 360 360 51430 1 . VAL 361 361 51430 1 . MET 362 362 51430 1 . PRO 363 363 51430 1 . MET 364 364 51430 1 . ARG 365 365 51430 1 . LEU 366 366 51430 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51430 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51430 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51430 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28b+ . . . 51430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51430 _Sample.ID 1 _Sample.Name 'The E.coli b clamp T45R/S107R' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _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 'The E. coli b clamp T45R/S107R' '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 0.45 0.100 0.8 mM . . . . 51430 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 51430 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'The E. coli b clamp T45R/S107R' _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 temperature 308.15 . K 51430 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51430 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'The E. coli b clamp T45R/S107R' _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 temperature 315.15 . K 51430 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51430 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51430 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51430 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent VNMRS 800 MHz (1H) spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51430 _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 '2D 1H-13C HMQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51430 1 2 '4D 1H-13C HMQC-NOSEY HMQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51430 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51430 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'E. coli b clamp T45R/S107R' _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 water protons . . . . ppm 4.63 internal indirect . . . . . . 51430 1 H 1 water protons . . . . ppm 4.63 internal direct 1 . . . . . 51430 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51430 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The E. coli b-clamp T45R/S107R' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51430 1 2 '4D 1H-13C HMQC-NOSEY HMQC' . . . 51430 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51430 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 5 5 VAL HG11 H 1 1.164 . . . . . . . . 5 V HG1 . 51430 1 2 . 1 . 1 5 5 VAL HG12 H 1 1.164 . . . . . . . . 5 V HG1 . 51430 1 3 . 1 . 1 5 5 VAL HG13 H 1 1.164 . . . . . . . . 5 V HG1 . 51430 1 4 . 1 . 1 5 5 VAL HG21 H 1 1.016 . . . . . . . . 5 V HG2 . 51430 1 5 . 1 . 1 5 5 VAL HG22 H 1 1.016 . . . . . . . . 5 V HG2 . 51430 1 6 . 1 . 1 5 5 VAL HG23 H 1 1.016 . . . . . . . . 5 V HG2 . 51430 1 7 . 1 . 1 5 5 VAL CG1 C 13 21.060 . . . . . . . . 5 V CG1 . 51430 1 8 . 1 . 1 5 5 VAL CG2 C 13 21.562 . . . . . . . . 5 V CG2 . 51430 1 9 . 1 . 1 10 10 LEU HD11 H 1 0.876 . . . . . . . . 10 L HD1 . 51430 1 10 . 1 . 1 10 10 LEU HD12 H 1 0.876 . . . . . . . . 10 L HD1 . 51430 1 11 . 1 . 1 10 10 LEU HD13 H 1 0.876 . . . . . . . . 10 L HD1 . 51430 1 12 . 1 . 1 10 10 LEU HD21 H 1 0.801 . . . . . . . . 10 L HD2 . 51430 1 13 . 1 . 1 10 10 LEU HD22 H 1 0.801 . . . . . . . . 10 L HD2 . 51430 1 14 . 1 . 1 10 10 LEU HD23 H 1 0.801 . . . . . . . . 10 L HD2 . 51430 1 15 . 1 . 1 10 10 LEU CD1 C 13 24.168 . . . . . . . . 10 L CD1 . 51430 1 16 . 1 . 1 10 10 LEU CD2 C 13 24.940 . . . . . . . . 10 L CD2 . 51430 1 17 . 1 . 1 11 11 LEU HD11 H 1 0.950 . . . . . . . . 11 L HD1 . 51430 1 18 . 1 . 1 11 11 LEU HD12 H 1 0.950 . . . . . . . . 11 L HD1 . 51430 1 19 . 1 . 1 11 11 LEU HD13 H 1 0.950 . . . . . . . . 11 L HD1 . 51430 1 20 . 1 . 1 11 11 LEU HD21 H 1 0.771 . . . . . . . . 11 L HD2 . 51430 1 21 . 1 . 1 11 11 LEU HD22 H 1 0.771 . . . . . . . . 11 L HD2 . 51430 1 22 . 1 . 1 11 11 LEU HD23 H 1 0.771 . . . . . . . . 11 L HD2 . 51430 1 23 . 1 . 1 11 11 LEU CD1 C 13 23.752 . . . . . . . . 11 L CD1 . 51430 1 24 . 1 . 1 11 11 LEU CD2 C 13 24.981 . . . . . . . . 11 L CD2 . 51430 1 25 . 1 . 1 14 14 LEU HD11 H 1 0.769 . . . . . . . . 14 L HD1 . 51430 1 26 . 1 . 1 14 14 LEU HD12 H 1 0.769 . . . . . . . . 14 L HD1 . 51430 1 27 . 1 . 1 14 14 LEU HD13 H 1 0.769 . . . . . . . . 14 L HD1 . 51430 1 28 . 1 . 1 14 14 LEU HD21 H 1 0.807 . . . . . . . . 14 L HD2 . 51430 1 29 . 1 . 1 14 14 LEU HD22 H 1 0.807 . . . . . . . . 14 L HD2 . 51430 1 30 . 1 . 1 14 14 LEU HD23 H 1 0.807 . . . . . . . . 14 L HD2 . 51430 1 31 . 1 . 1 14 14 LEU CD1 C 13 25.647 . . . . . . . . 14 L CD1 . 51430 1 32 . 1 . 1 14 14 LEU CD2 C 13 26.508 . . . . . . . . 14 L CD2 . 51430 1 33 . 1 . 1 17 17 VAL HG11 H 1 0.999 . . . . . . . . 17 V HG1 . 51430 1 34 . 1 . 1 17 17 VAL HG12 H 1 0.999 . . . . . . . . 17 V HG1 . 51430 1 35 . 1 . 1 17 17 VAL HG13 H 1 0.999 . . . . . . . . 17 V HG1 . 51430 1 36 . 1 . 1 17 17 VAL HG21 H 1 0.872 . . . . . . . . 17 V HG2 . 51430 1 37 . 1 . 1 17 17 VAL HG22 H 1 0.872 . . . . . . . . 17 V HG2 . 51430 1 38 . 1 . 1 17 17 VAL HG23 H 1 0.872 . . . . . . . . 17 V HG2 . 51430 1 39 . 1 . 1 17 17 VAL CG1 C 13 22.669 . . . . . . . . 17 V CG1 . 51430 1 40 . 1 . 1 17 17 VAL CG2 C 13 22.188 . . . . . . . . 17 V CG2 . 51430 1 41 . 1 . 1 21 21 LEU HD11 H 1 0.711 . . . . . . . . 21 L HD1 . 51430 1 42 . 1 . 1 21 21 LEU HD12 H 1 0.711 . . . . . . . . 21 L HD1 . 51430 1 43 . 1 . 1 21 21 LEU HD13 H 1 0.711 . . . . . . . . 21 L HD1 . 51430 1 44 . 1 . 1 21 21 LEU HD21 H 1 0.744 . . . . . . . . 21 L HD2 . 51430 1 45 . 1 . 1 21 21 LEU HD22 H 1 0.744 . . . . . . . . 21 L HD2 . 51430 1 46 . 1 . 1 21 21 LEU HD23 H 1 0.744 . . . . . . . . 21 L HD2 . 51430 1 47 . 1 . 1 21 21 LEU CD1 C 13 23.634 . . . . . . . . 21 L CD1 . 51430 1 48 . 1 . 1 21 21 LEU CD2 C 13 24.235 . . . . . . . . 21 L CD2 . 51430 1 49 . 1 . 1 27 27 LEU HD11 H 1 0.897 . . . . . . . . 27 L HD1 . 51430 1 50 . 1 . 1 27 27 LEU HD12 H 1 0.897 . . . . . . . . 27 L HD1 . 51430 1 51 . 1 . 1 27 27 LEU HD13 H 1 0.897 . . . . . . . . 27 L HD1 . 51430 1 52 . 1 . 1 27 27 LEU HD21 H 1 0.934 . . . . . . . . 27 L HD2 . 51430 1 53 . 1 . 1 27 27 LEU HD22 H 1 0.934 . . . . . . . . 27 L HD2 . 51430 1 54 . 1 . 1 27 27 LEU HD23 H 1 0.934 . . . . . . . . 27 L HD2 . 51430 1 55 . 1 . 1 27 27 LEU CD1 C 13 24.841 . . . . . . . . 27 L CD1 . 51430 1 56 . 1 . 1 27 27 LEU CD2 C 13 23.515 . . . . . . . . 27 L CD2 . 51430 1 57 . 1 . 1 29 29 ILE HD11 H 1 0.928 . . . . . . . . 29 I HD1 . 51430 1 58 . 1 . 1 29 29 ILE HD12 H 1 0.928 . . . . . . . . 29 I HD1 . 51430 1 59 . 1 . 1 29 29 ILE HD13 H 1 0.928 . . . . . . . . 29 I HD1 . 51430 1 60 . 1 . 1 29 29 ILE CD1 C 13 15.293 . . . . . . . . 29 I CD1 . 51430 1 61 . 1 . 1 30 30 LEU HD11 H 1 0.607 . . . . . . . . 30 L HD1 . 51430 1 62 . 1 . 1 30 30 LEU HD12 H 1 0.607 . . . . . . . . 30 L HD1 . 51430 1 63 . 1 . 1 30 30 LEU HD13 H 1 0.607 . . . . . . . . 30 L HD1 . 51430 1 64 . 1 . 1 30 30 LEU HD21 H 1 0.926 . . . . . . . . 30 L HD2 . 51430 1 65 . 1 . 1 30 30 LEU HD22 H 1 0.926 . . . . . . . . 30 L HD2 . 51430 1 66 . 1 . 1 30 30 LEU HD23 H 1 0.926 . . . . . . . . 30 L HD2 . 51430 1 67 . 1 . 1 30 30 LEU CD1 C 13 21.734 . . . . . . . . 30 L CD1 . 51430 1 68 . 1 . 1 30 30 LEU CD2 C 13 26.224 . . . . . . . . 30 L CD2 . 51430 1 69 . 1 . 1 33 33 LEU HD11 H 1 0.751 . . . . . . . . 33 L HD1 . 51430 1 70 . 1 . 1 33 33 LEU HD12 H 1 0.751 . . . . . . . . 33 L HD1 . 51430 1 71 . 1 . 1 33 33 LEU HD13 H 1 0.751 . . . . . . . . 33 L HD1 . 51430 1 72 . 1 . 1 33 33 LEU HD21 H 1 0.878 . . . . . . . . 33 L HD2 . 51430 1 73 . 1 . 1 33 33 LEU HD22 H 1 0.878 . . . . . . . . 33 L HD2 . 51430 1 74 . 1 . 1 33 33 LEU HD23 H 1 0.878 . . . . . . . . 33 L HD2 . 51430 1 75 . 1 . 1 33 33 LEU CD1 C 13 26.371 . . . . . . . . 33 L CD1 . 51430 1 76 . 1 . 1 33 33 LEU CD2 C 13 25.711 . . . . . . . . 33 L CD2 . 51430 1 77 . 1 . 1 34 34 LEU HD11 H 1 0.617 . . . . . . . . 34 L HD1 . 51430 1 78 . 1 . 1 34 34 LEU HD12 H 1 0.617 . . . . . . . . 34 L HD1 . 51430 1 79 . 1 . 1 34 34 LEU HD13 H 1 0.617 . . . . . . . . 34 L HD1 . 51430 1 80 . 1 . 1 34 34 LEU HD21 H 1 0.608 . . . . . . . . 34 L HD2 . 51430 1 81 . 1 . 1 34 34 LEU HD22 H 1 0.608 . . . . . . . . 34 L HD2 . 51430 1 82 . 1 . 1 34 34 LEU HD23 H 1 0.608 . . . . . . . . 34 L HD2 . 51430 1 83 . 1 . 1 34 34 LEU CD1 C 13 24.376 . . . . . . . . 34 L CD1 . 51430 1 84 . 1 . 1 34 34 LEU CD2 C 13 26.198 . . . . . . . . 34 L CD2 . 51430 1 85 . 1 . 1 35 35 LEU HD11 H 1 0.710 . . . . . . . . 35 L HD1 . 51430 1 86 . 1 . 1 35 35 LEU HD12 H 1 0.710 . . . . . . . . 35 L HD1 . 51430 1 87 . 1 . 1 35 35 LEU HD13 H 1 0.710 . . . . . . . . 35 L HD1 . 51430 1 88 . 1 . 1 35 35 LEU HD21 H 1 0.578 . . . . . . . . 35 L HD2 . 51430 1 89 . 1 . 1 35 35 LEU HD22 H 1 0.578 . . . . . . . . 35 L HD2 . 51430 1 90 . 1 . 1 35 35 LEU HD23 H 1 0.578 . . . . . . . . 35 L HD2 . 51430 1 91 . 1 . 1 35 35 LEU CD1 C 13 25.146 . . . . . . . . 35 L CD1 . 51430 1 92 . 1 . 1 35 35 LEU CD2 C 13 26.196 . . . . . . . . 35 L CD2 . 51430 1 93 . 1 . 1 37 37 VAL HG11 H 1 0.855 . . . . . . . . 37 V HG1 . 51430 1 94 . 1 . 1 37 37 VAL HG12 H 1 0.855 . . . . . . . . 37 V HG1 . 51430 1 95 . 1 . 1 37 37 VAL HG13 H 1 0.855 . . . . . . . . 37 V HG1 . 51430 1 96 . 1 . 1 37 37 VAL HG21 H 1 0.804 . . . . . . . . 37 V HG2 . 51430 1 97 . 1 . 1 37 37 VAL HG22 H 1 0.804 . . . . . . . . 37 V HG2 . 51430 1 98 . 1 . 1 37 37 VAL HG23 H 1 0.804 . . . . . . . . 37 V HG2 . 51430 1 99 . 1 . 1 37 37 VAL CG1 C 13 23.513 . . . . . . . . 37 V CG1 . 51430 1 100 . 1 . 1 37 37 VAL CG2 C 13 22.563 . . . . . . . . 37 V CG2 . 51430 1 101 . 1 . 1 42 42 LEU HD11 H 1 0.699 . . . . . . . . 42 L HD1 . 51430 1 102 . 1 . 1 42 42 LEU HD12 H 1 0.699 . . . . . . . . 42 L HD1 . 51430 1 103 . 1 . 1 42 42 LEU HD13 H 1 0.699 . . . . . . . . 42 L HD1 . 51430 1 104 . 1 . 1 42 42 LEU CD1 C 13 25.989 . . . . . . . . 42 L CD1 . 51430 1 105 . 1 . 1 44 44 LEU HD11 H 1 0.109 . . . . . . . . 44 L HD1 . 51430 1 106 . 1 . 1 44 44 LEU HD12 H 1 0.109 . . . . . . . . 44 L HD1 . 51430 1 107 . 1 . 1 44 44 LEU HD13 H 1 0.109 . . . . . . . . 44 L HD1 . 51430 1 108 . 1 . 1 44 44 LEU HD21 H 1 0.241 . . . . . . . . 44 L HD2 . 51430 1 109 . 1 . 1 44 44 LEU HD22 H 1 0.241 . . . . . . . . 44 L HD2 . 51430 1 110 . 1 . 1 44 44 LEU HD23 H 1 0.241 . . . . . . . . 44 L HD2 . 51430 1 111 . 1 . 1 44 44 LEU CD1 C 13 25.805 . . . . . . . . 44 L CD1 . 51430 1 112 . 1 . 1 44 44 LEU CD2 C 13 23.100 . . . . . . . . 44 L CD2 . 51430 1 113 . 1 . 1 49 49 LEU HD11 H 1 0.721 . . . . . . . . 49 L HD1 . 51430 1 114 . 1 . 1 49 49 LEU HD12 H 1 0.721 . . . . . . . . 49 L HD1 . 51430 1 115 . 1 . 1 49 49 LEU HD13 H 1 0.721 . . . . . . . . 49 L HD1 . 51430 1 116 . 1 . 1 49 49 LEU HD21 H 1 0.833 . . . . . . . . 49 L HD2 . 51430 1 117 . 1 . 1 49 49 LEU HD22 H 1 0.833 . . . . . . . . 49 L HD2 . 51430 1 118 . 1 . 1 49 49 LEU HD23 H 1 0.833 . . . . . . . . 49 L HD2 . 51430 1 119 . 1 . 1 49 49 LEU CD1 C 13 22.535 . . . . . . . . 49 L CD1 . 51430 1 120 . 1 . 1 49 49 LEU CD2 C 13 24.971 . . . . . . . . 49 L CD2 . 51430 1 121 . 1 . 1 54 54 VAL HG11 H 1 0.868 . . . . . . . . 54 V HG1 . 51430 1 122 . 1 . 1 54 54 VAL HG12 H 1 0.868 . . . . . . . . 54 V HG1 . 51430 1 123 . 1 . 1 54 54 VAL HG13 H 1 0.868 . . . . . . . . 54 V HG1 . 51430 1 124 . 1 . 1 54 54 VAL HG21 H 1 0.904 . . . . . . . . 54 V HG2 . 51430 1 125 . 1 . 1 54 54 VAL HG22 H 1 0.904 . . . . . . . . 54 V HG2 . 51430 1 126 . 1 . 1 54 54 VAL HG23 H 1 0.904 . . . . . . . . 54 V HG2 . 51430 1 127 . 1 . 1 54 54 VAL CG1 C 13 20.596 . . . . . . . . 54 V CG1 . 51430 1 128 . 1 . 1 54 54 VAL CG2 C 13 21.678 . . . . . . . . 54 V CG2 . 51430 1 129 . 1 . 1 57 57 VAL HG11 H 1 0.808 . . . . . . . . 57 V HG1 . 51430 1 130 . 1 . 1 57 57 VAL HG12 H 1 0.808 . . . . . . . . 57 V HG1 . 51430 1 131 . 1 . 1 57 57 VAL HG13 H 1 0.808 . . . . . . . . 57 V HG1 . 51430 1 132 . 1 . 1 57 57 VAL HG21 H 1 0.780 . . . . . . . . 57 V HG2 . 51430 1 133 . 1 . 1 57 57 VAL HG22 H 1 0.780 . . . . . . . . 57 V HG2 . 51430 1 134 . 1 . 1 57 57 VAL HG23 H 1 0.780 . . . . . . . . 57 V HG2 . 51430 1 135 . 1 . 1 57 57 VAL CG1 C 13 20.479 . . . . . . . . 57 V CG1 . 51430 1 136 . 1 . 1 57 57 VAL CG2 C 13 21.064 . . . . . . . . 57 V CG2 . 51430 1 137 . 1 . 1 59 59 LEU HD11 H 1 0.232 . . . . . . . . 59 L HD1 . 51430 1 138 . 1 . 1 59 59 LEU HD12 H 1 0.232 . . . . . . . . 59 L HD1 . 51430 1 139 . 1 . 1 59 59 LEU HD13 H 1 0.232 . . . . . . . . 59 L HD1 . 51430 1 140 . 1 . 1 59 59 LEU HD21 H 1 0.625 . . . . . . . . 59 L HD2 . 51430 1 141 . 1 . 1 59 59 LEU HD22 H 1 0.625 . . . . . . . . 59 L HD2 . 51430 1 142 . 1 . 1 59 59 LEU HD23 H 1 0.625 . . . . . . . . 59 L HD2 . 51430 1 143 . 1 . 1 59 59 LEU CD1 C 13 26.545 . . . . . . . . 59 L CD1 . 51430 1 144 . 1 . 1 59 59 LEU CD2 C 13 21.530 . . . . . . . . 59 L CD2 . 51430 1 145 . 1 . 1 60 60 VAL HG11 H 1 0.940 . . . . . . . . 60 V HG1 . 51430 1 146 . 1 . 1 60 60 VAL HG12 H 1 0.940 . . . . . . . . 60 V HG1 . 51430 1 147 . 1 . 1 60 60 VAL HG13 H 1 0.940 . . . . . . . . 60 V HG1 . 51430 1 148 . 1 . 1 60 60 VAL HG21 H 1 0.983 . . . . . . . . 60 V HG2 . 51430 1 149 . 1 . 1 60 60 VAL HG22 H 1 0.983 . . . . . . . . 60 V HG2 . 51430 1 150 . 1 . 1 60 60 VAL HG23 H 1 0.983 . . . . . . . . 60 V HG2 . 51430 1 151 . 1 . 1 60 60 VAL CG1 C 13 20.932 . . . . . . . . 60 V CG1 . 51430 1 152 . 1 . 1 60 60 VAL CG2 C 13 19.721 . . . . . . . . 60 V CG2 . 51430 1 153 . 1 . 1 70 70 VAL HG11 H 1 0.604 . . . . . . . . 70 V HG1 . 51430 1 154 . 1 . 1 70 70 VAL HG12 H 1 0.604 . . . . . . . . 70 V HG1 . 51430 1 155 . 1 . 1 70 70 VAL HG13 H 1 0.604 . . . . . . . . 70 V HG1 . 51430 1 156 . 1 . 1 70 70 VAL HG21 H 1 0.684 . . . . . . . . 70 V HG2 . 51430 1 157 . 1 . 1 70 70 VAL HG22 H 1 0.684 . . . . . . . . 70 V HG2 . 51430 1 158 . 1 . 1 70 70 VAL HG23 H 1 0.684 . . . . . . . . 70 V HG2 . 51430 1 159 . 1 . 1 70 70 VAL CG1 C 13 19.941 . . . . . . . . 70 V CG1 . 51430 1 160 . 1 . 1 70 70 VAL CG2 C 13 21.443 . . . . . . . . 70 V CG2 . 51430 1 161 . 1 . 1 78 78 ILE HD11 H 1 0.487 . . . . . . . . 78 I HD1 . 51430 1 162 . 1 . 1 78 78 ILE HD12 H 1 0.487 . . . . . . . . 78 I HD1 . 51430 1 163 . 1 . 1 78 78 ILE HD13 H 1 0.487 . . . . . . . . 78 I HD1 . 51430 1 164 . 1 . 1 78 78 ILE CD1 C 13 15.223 . . . . . . . . 78 I CD1 . 51430 1 165 . 1 . 1 82 82 LEU HD11 H 1 0.751 . . . . . . . . 82 L HD1 . 51430 1 166 . 1 . 1 82 82 LEU HD12 H 1 0.751 . . . . . . . . 82 L HD1 . 51430 1 167 . 1 . 1 82 82 LEU HD13 H 1 0.751 . . . . . . . . 82 L HD1 . 51430 1 168 . 1 . 1 82 82 LEU HD21 H 1 0.993 . . . . . . . . 82 L HD2 . 51430 1 169 . 1 . 1 82 82 LEU HD22 H 1 0.993 . . . . . . . . 82 L HD2 . 51430 1 170 . 1 . 1 82 82 LEU HD23 H 1 0.993 . . . . . . . . 82 L HD2 . 51430 1 171 . 1 . 1 82 82 LEU CD1 C 13 25.799 . . . . . . . . 82 L CD1 . 51430 1 172 . 1 . 1 82 82 LEU CD2 C 13 22.279 . . . . . . . . 82 L CD2 . 51430 1 173 . 1 . 1 88 88 ILE HD11 H 1 0.685 . . . . . . . . 88 I HD1 . 51430 1 174 . 1 . 1 88 88 ILE HD12 H 1 0.685 . . . . . . . . 88 I HD1 . 51430 1 175 . 1 . 1 88 88 ILE HD13 H 1 0.685 . . . . . . . . 88 I HD1 . 51430 1 176 . 1 . 1 88 88 ILE CD1 C 13 14.436 . . . . . . . . 88 I CD1 . 51430 1 177 . 1 . 1 90 90 VAL HG11 H 1 0.520 . . . . . . . . 90 V HG1 . 51430 1 178 . 1 . 1 90 90 VAL HG12 H 1 0.520 . . . . . . . . 90 V HG1 . 51430 1 179 . 1 . 1 90 90 VAL HG13 H 1 0.520 . . . . . . . . 90 V HG1 . 51430 1 180 . 1 . 1 90 90 VAL HG21 H 1 0.506 . . . . . . . . 90 V HG2 . 51430 1 181 . 1 . 1 90 90 VAL HG22 H 1 0.506 . . . . . . . . 90 V HG2 . 51430 1 182 . 1 . 1 90 90 VAL HG23 H 1 0.506 . . . . . . . . 90 V HG2 . 51430 1 183 . 1 . 1 90 90 VAL CG1 C 13 22.247 . . . . . . . . 90 V CG1 . 51430 1 184 . 1 . 1 90 90 VAL CG2 C 13 22.412 . . . . . . . . 90 V CG2 . 51430 1 185 . 1 . 1 92 92 LEU HD11 H 1 0.907 . . . . . . . . 92 L HD1 . 51430 1 186 . 1 . 1 92 92 LEU HD12 H 1 0.907 . . . . . . . . 92 L HD1 . 51430 1 187 . 1 . 1 92 92 LEU HD13 H 1 0.907 . . . . . . . . 92 L HD1 . 51430 1 188 . 1 . 1 92 92 LEU HD21 H 1 0.848 . . . . . . . . 92 L HD2 . 51430 1 189 . 1 . 1 92 92 LEU HD22 H 1 0.848 . . . . . . . . 92 L HD2 . 51430 1 190 . 1 . 1 92 92 LEU HD23 H 1 0.848 . . . . . . . . 92 L HD2 . 51430 1 191 . 1 . 1 92 92 LEU CD1 C 13 24.775 . . . . . . . . 92 L CD1 . 51430 1 192 . 1 . 1 92 92 LEU CD2 C 13 23.959 . . . . . . . . 92 L CD2 . 51430 1 193 . 1 . 1 98 98 LEU HD11 H 1 0.747 . . . . . . . . 98 L HD1 . 51430 1 194 . 1 . 1 98 98 LEU HD12 H 1 0.747 . . . . . . . . 98 L HD1 . 51430 1 195 . 1 . 1 98 98 LEU HD13 H 1 0.747 . . . . . . . . 98 L HD1 . 51430 1 196 . 1 . 1 98 98 LEU HD21 H 1 0.761 . . . . . . . . 98 L HD2 . 51430 1 197 . 1 . 1 98 98 LEU HD22 H 1 0.761 . . . . . . . . 98 L HD2 . 51430 1 198 . 1 . 1 98 98 LEU HD23 H 1 0.761 . . . . . . . . 98 L HD2 . 51430 1 199 . 1 . 1 98 98 LEU CD1 C 13 23.314 . . . . . . . . 98 L CD1 . 51430 1 200 . 1 . 1 98 98 LEU CD2 C 13 25.946 . . . . . . . . 98 L CD2 . 51430 1 201 . 1 . 1 99 99 VAL HG11 H 1 0.810 . . . . . . . . 99 V HG1 . 51430 1 202 . 1 . 1 99 99 VAL HG12 H 1 0.810 . . . . . . . . 99 V HG1 . 51430 1 203 . 1 . 1 99 99 VAL HG13 H 1 0.810 . . . . . . . . 99 V HG1 . 51430 1 204 . 1 . 1 99 99 VAL HG21 H 1 0.894 . . . . . . . . 99 V HG2 . 51430 1 205 . 1 . 1 99 99 VAL HG22 H 1 0.894 . . . . . . . . 99 V HG2 . 51430 1 206 . 1 . 1 99 99 VAL HG23 H 1 0.894 . . . . . . . . 99 V HG2 . 51430 1 207 . 1 . 1 99 99 VAL CG1 C 13 20.766 . . . . . . . . 99 V CG1 . 51430 1 208 . 1 . 1 99 99 VAL CG2 C 13 21.303 . . . . . . . . 99 V CG2 . 51430 1 209 . 1 . 1 108 108 LEU HD11 H 1 0.822 . . . . . . . . 108 L HD1 . 51430 1 210 . 1 . 1 108 108 LEU HD12 H 1 0.822 . . . . . . . . 108 L HD1 . 51430 1 211 . 1 . 1 108 108 LEU HD13 H 1 0.822 . . . . . . . . 108 L HD1 . 51430 1 212 . 1 . 1 108 108 LEU HD21 H 1 0.919 . . . . . . . . 108 L HD2 . 51430 1 213 . 1 . 1 108 108 LEU HD22 H 1 0.919 . . . . . . . . 108 L HD2 . 51430 1 214 . 1 . 1 108 108 LEU HD23 H 1 0.919 . . . . . . . . 108 L HD2 . 51430 1 215 . 1 . 1 108 108 LEU CD1 C 13 25.885 . . . . . . . . 108 L CD1 . 51430 1 216 . 1 . 1 108 108 LEU CD2 C 13 25.137 . . . . . . . . 108 L CD2 . 51430 1 217 . 1 . 1 111 111 LEU HD11 H 1 0.766 . . . . . . . . 111 L HD1 . 51430 1 218 . 1 . 1 111 111 LEU HD12 H 1 0.766 . . . . . . . . 111 L HD1 . 51430 1 219 . 1 . 1 111 111 LEU HD13 H 1 0.766 . . . . . . . . 111 L HD1 . 51430 1 220 . 1 . 1 111 111 LEU HD21 H 1 1.067 . . . . . . . . 111 L HD2 . 51430 1 221 . 1 . 1 111 111 LEU HD22 H 1 1.067 . . . . . . . . 111 L HD2 . 51430 1 222 . 1 . 1 111 111 LEU HD23 H 1 1.067 . . . . . . . . 111 L HD2 . 51430 1 223 . 1 . 1 111 111 LEU CD1 C 13 24.651 . . . . . . . . 111 L CD1 . 51430 1 224 . 1 . 1 111 111 LEU CD2 C 13 22.702 . . . . . . . . 111 L CD2 . 51430 1 225 . 1 . 1 119 119 LEU HD11 H 1 0.731 . . . . . . . . 119 L HD1 . 51430 1 226 . 1 . 1 119 119 LEU HD12 H 1 0.731 . . . . . . . . 119 L HD1 . 51430 1 227 . 1 . 1 119 119 LEU HD13 H 1 0.731 . . . . . . . . 119 L HD1 . 51430 1 228 . 1 . 1 119 119 LEU HD21 H 1 0.714 . . . . . . . . 119 L HD2 . 51430 1 229 . 1 . 1 119 119 LEU HD22 H 1 0.714 . . . . . . . . 119 L HD2 . 51430 1 230 . 1 . 1 119 119 LEU HD23 H 1 0.714 . . . . . . . . 119 L HD2 . 51430 1 231 . 1 . 1 119 119 LEU CD1 C 13 25.344 . . . . . . . . 119 L CD1 . 51430 1 232 . 1 . 1 119 119 LEU CD2 C 13 23.333 . . . . . . . . 119 L CD2 . 51430 1 233 . 1 . 1 126 126 VAL HG11 H 1 0.796 . . . . . . . . 126 V HG1 . 51430 1 234 . 1 . 1 126 126 VAL HG12 H 1 0.796 . . . . . . . . 126 V HG1 . 51430 1 235 . 1 . 1 126 126 VAL HG13 H 1 0.796 . . . . . . . . 126 V HG1 . 51430 1 236 . 1 . 1 126 126 VAL HG21 H 1 0.920 . . . . . . . . 126 V HG2 . 51430 1 237 . 1 . 1 126 126 VAL HG22 H 1 0.920 . . . . . . . . 126 V HG2 . 51430 1 238 . 1 . 1 126 126 VAL HG23 H 1 0.920 . . . . . . . . 126 V HG2 . 51430 1 239 . 1 . 1 126 126 VAL CG1 C 13 17.657 . . . . . . . . 126 V CG1 . 51430 1 240 . 1 . 1 126 126 VAL CG2 C 13 23.077 . . . . . . . . 126 V CG2 . 51430 1 241 . 1 . 1 130 130 LEU HD11 H 1 0.903 . . . . . . . . 130 L HD1 . 51430 1 242 . 1 . 1 130 130 LEU HD12 H 1 0.903 . . . . . . . . 130 L HD1 . 51430 1 243 . 1 . 1 130 130 LEU HD13 H 1 0.903 . . . . . . . . 130 L HD1 . 51430 1 244 . 1 . 1 130 130 LEU HD21 H 1 1.054 . . . . . . . . 130 L HD2 . 51430 1 245 . 1 . 1 130 130 LEU HD22 H 1 1.054 . . . . . . . . 130 L HD2 . 51430 1 246 . 1 . 1 130 130 LEU HD23 H 1 1.054 . . . . . . . . 130 L HD2 . 51430 1 247 . 1 . 1 130 130 LEU CD1 C 13 27.896 . . . . . . . . 130 L CD1 . 51430 1 248 . 1 . 1 130 130 LEU CD2 C 13 25.887 . . . . . . . . 130 L CD2 . 51430 1 249 . 1 . 1 138 138 LEU HD11 H 1 0.742 . . . . . . . . 138 L HD1 . 51430 1 250 . 1 . 1 138 138 LEU HD12 H 1 0.742 . . . . . . . . 138 L HD1 . 51430 1 251 . 1 . 1 138 138 LEU HD13 H 1 0.742 . . . . . . . . 138 L HD1 . 51430 1 252 . 1 . 1 138 138 LEU HD21 H 1 0.788 . . . . . . . . 138 L HD2 . 51430 1 253 . 1 . 1 138 138 LEU HD22 H 1 0.788 . . . . . . . . 138 L HD2 . 51430 1 254 . 1 . 1 138 138 LEU HD23 H 1 0.788 . . . . . . . . 138 L HD2 . 51430 1 255 . 1 . 1 138 138 LEU CD1 C 13 27.183 . . . . . . . . 138 L CD1 . 51430 1 256 . 1 . 1 138 138 LEU CD2 C 13 23.51 . . . . . . . . 138 L CD2 . 51430 1 257 . 1 . 1 139 139 ILE HD11 H 1 0.851 . . . . . . . . 139 I HD1 . 51430 1 258 . 1 . 1 139 139 ILE HD12 H 1 0.851 . . . . . . . . 139 I HD1 . 51430 1 259 . 1 . 1 139 139 ILE HD13 H 1 0.851 . . . . . . . . 139 I HD1 . 51430 1 260 . 1 . 1 139 139 ILE CD1 C 13 13.655 . . . . . . . . 139 I CD1 . 51430 1 261 . 1 . 1 151 151 VAL HG11 H 1 1.020 . . . . . . . . 151 V HG1 . 51430 1 262 . 1 . 1 151 151 VAL HG12 H 1 1.020 . . . . . . . . 151 V HG1 . 51430 1 263 . 1 . 1 151 151 VAL HG13 H 1 1.020 . . . . . . . . 151 V HG1 . 51430 1 264 . 1 . 1 151 151 VAL CG1 C 13 20.384 . . . . . . . . 151 V CG1 . 51430 1 265 . 1 . 1 155 155 LEU HD11 H 1 0.464 . . . . . . . . 155 L HD1 . 51430 1 266 . 1 . 1 155 155 LEU HD12 H 1 0.464 . . . . . . . . 155 L HD1 . 51430 1 267 . 1 . 1 155 155 LEU HD13 H 1 0.464 . . . . . . . . 155 L HD1 . 51430 1 268 . 1 . 1 155 155 LEU HD21 H 1 0.373 . . . . . . . . 155 L HD2 . 51430 1 269 . 1 . 1 155 155 LEU HD22 H 1 0.373 . . . . . . . . 155 L HD2 . 51430 1 270 . 1 . 1 155 155 LEU HD23 H 1 0.373 . . . . . . . . 155 L HD2 . 51430 1 271 . 1 . 1 155 155 LEU CD1 C 13 24.424 . . . . . . . . 155 L CD1 . 51430 1 272 . 1 . 1 155 155 LEU CD2 C 13 21.697 . . . . . . . . 155 L CD2 . 51430 1 273 . 1 . 1 159 159 LEU HD11 H 1 0.554 . . . . . . . . 159 L HD1 . 51430 1 274 . 1 . 1 159 159 LEU HD12 H 1 0.554 . . . . . . . . 159 L HD1 . 51430 1 275 . 1 . 1 159 159 LEU HD13 H 1 0.554 . . . . . . . . 159 L HD1 . 51430 1 276 . 1 . 1 159 159 LEU HD21 H 1 0.623 . . . . . . . . 159 L HD2 . 51430 1 277 . 1 . 1 159 159 LEU HD22 H 1 0.623 . . . . . . . . 159 L HD2 . 51430 1 278 . 1 . 1 159 159 LEU HD23 H 1 0.623 . . . . . . . . 159 L HD2 . 51430 1 279 . 1 . 1 159 159 LEU CD1 C 13 23.621 . . . . . . . . 159 L CD1 . 51430 1 280 . 1 . 1 159 159 LEU CD2 C 13 25.792 . . . . . . . . 159 L CD2 . 51430 1 281 . 1 . 1 167 167 LEU HD11 H 1 0.806 . . . . . . . . 167 L HD1 . 51430 1 282 . 1 . 1 167 167 LEU HD12 H 1 0.806 . . . . . . . . 167 L HD1 . 51430 1 283 . 1 . 1 167 167 LEU HD13 H 1 0.806 . . . . . . . . 167 L HD1 . 51430 1 284 . 1 . 1 167 167 LEU HD21 H 1 0.704 . . . . . . . . 167 L HD2 . 51430 1 285 . 1 . 1 167 167 LEU HD22 H 1 0.704 . . . . . . . . 167 L HD2 . 51430 1 286 . 1 . 1 167 167 LEU HD23 H 1 0.704 . . . . . . . . 167 L HD2 . 51430 1 287 . 1 . 1 167 167 LEU CD1 C 13 24.174 . . . . . . . . 167 L CD1 . 51430 1 288 . 1 . 1 167 167 LEU CD2 C 13 26.928 . . . . . . . . 167 L CD2 . 51430 1 289 . 1 . 1 170 170 VAL HG11 H 1 0.356 . . . . . . . . 170 V HG1 . 51430 1 290 . 1 . 1 170 170 VAL HG12 H 1 0.356 . . . . . . . . 170 V HG1 . 51430 1 291 . 1 . 1 170 170 VAL HG13 H 1 0.356 . . . . . . . . 170 V HG1 . 51430 1 292 . 1 . 1 170 170 VAL HG21 H 1 0.730 . . . . . . . . 170 V HG2 . 51430 1 293 . 1 . 1 170 170 VAL HG22 H 1 0.730 . . . . . . . . 170 V HG2 . 51430 1 294 . 1 . 1 170 170 VAL HG23 H 1 0.730 . . . . . . . . 170 V HG2 . 51430 1 295 . 1 . 1 170 170 VAL CG1 C 13 20.212 . . . . . . . . 170 V CG1 . 51430 1 296 . 1 . 1 170 170 VAL CG2 C 13 21.944 . . . . . . . . 170 V CG2 . 51430 1 297 . 1 . 1 177 177 LEU HD11 H 1 0.840 . . . . . . . . 177 L HD1 . 51430 1 298 . 1 . 1 177 177 LEU HD12 H 1 0.840 . . . . . . . . 177 L HD1 . 51430 1 299 . 1 . 1 177 177 LEU HD13 H 1 0.840 . . . . . . . . 177 L HD1 . 51430 1 300 . 1 . 1 177 177 LEU HD21 H 1 0.710 . . . . . . . . 177 L HD2 . 51430 1 301 . 1 . 1 177 177 LEU HD22 H 1 0.710 . . . . . . . . 177 L HD2 . 51430 1 302 . 1 . 1 177 177 LEU HD23 H 1 0.710 . . . . . . . . 177 L HD2 . 51430 1 303 . 1 . 1 177 177 LEU CD1 C 13 25.340 . . . . . . . . 177 L CD1 . 51430 1 304 . 1 . 1 177 177 LEU CD2 C 13 26.190 . . . . . . . . 177 L CD2 . 51430 1 305 . 1 . 1 179 179 VAL HG11 H 1 0.688 . . . . . . . . 179 V HG1 . 51430 1 306 . 1 . 1 179 179 VAL HG12 H 1 0.688 . . . . . . . . 179 V HG1 . 51430 1 307 . 1 . 1 179 179 VAL HG13 H 1 0.688 . . . . . . . . 179 V HG1 . 51430 1 308 . 1 . 1 179 179 VAL HG21 H 1 0.500 . . . . . . . . 179 V HG2 . 51430 1 309 . 1 . 1 179 179 VAL HG22 H 1 0.500 . . . . . . . . 179 V HG2 . 51430 1 310 . 1 . 1 179 179 VAL HG23 H 1 0.500 . . . . . . . . 179 V HG2 . 51430 1 311 . 1 . 1 179 179 VAL CG1 C 13 19.253 . . . . . . . . 179 V CG1 . 51430 1 312 . 1 . 1 179 179 VAL CG2 C 13 20.723 . . . . . . . . 179 V CG2 . 51430 1 313 . 1 . 1 184 184 ILE HD11 H 1 0.641 . . . . . . . . 184 I HD1 . 51430 1 314 . 1 . 1 184 184 ILE HD12 H 1 0.641 . . . . . . . . 184 I HD1 . 51430 1 315 . 1 . 1 184 184 ILE HD13 H 1 0.641 . . . . . . . . 184 I HD1 . 51430 1 316 . 1 . 1 184 184 ILE CD1 C 13 14.456 . . . . . . . . 184 I CD1 . 51430 1 317 . 1 . 1 188 188 LEU HD11 H 1 0.689 . . . . . . . . 188 L HD1 . 51430 1 318 . 1 . 1 188 188 LEU HD12 H 1 0.689 . . . . . . . . 188 L HD1 . 51430 1 319 . 1 . 1 188 188 LEU HD13 H 1 0.689 . . . . . . . . 188 L HD1 . 51430 1 320 . 1 . 1 188 188 LEU HD21 H 1 0.338 . . . . . . . . 188 L HD2 . 51430 1 321 . 1 . 1 188 188 LEU HD22 H 1 0.338 . . . . . . . . 188 L HD2 . 51430 1 322 . 1 . 1 188 188 LEU HD23 H 1 0.338 . . . . . . . . 188 L HD2 . 51430 1 323 . 1 . 1 188 188 LEU CD1 C 13 23.192 . . . . . . . . 188 L CD1 . 51430 1 324 . 1 . 1 188 188 LEU CD2 C 13 25.553 . . . . . . . . 188 L CD2 . 51430 1 325 . 1 . 1 193 193 VAL HG11 H 1 0.802 . . . . . . . . 193 V HG1 . 51430 1 326 . 1 . 1 193 193 VAL HG12 H 1 0.802 . . . . . . . . 193 V HG1 . 51430 1 327 . 1 . 1 193 193 VAL HG13 H 1 0.802 . . . . . . . . 193 V HG1 . 51430 1 328 . 1 . 1 193 193 VAL HG21 H 1 0.845 . . . . . . . . 193 V HG2 . 51430 1 329 . 1 . 1 193 193 VAL HG22 H 1 0.845 . . . . . . . . 193 V HG2 . 51430 1 330 . 1 . 1 193 193 VAL HG23 H 1 0.845 . . . . . . . . 193 V HG2 . 51430 1 331 . 1 . 1 193 193 VAL CG1 C 13 21.124 . . . . . . . . 193 V CG1 . 51430 1 332 . 1 . 1 193 193 VAL CG2 C 13 20.409 . . . . . . . . 193 V CG2 . 51430 1 333 . 1 . 1 194 194 ILE HD11 H 1 0.964 . . . . . . . . 194 I HD1 . 51430 1 334 . 1 . 1 194 194 ILE HD12 H 1 0.964 . . . . . . . . 194 I HD1 . 51430 1 335 . 1 . 1 194 194 ILE HD13 H 1 0.964 . . . . . . . . 194 I HD1 . 51430 1 336 . 1 . 1 194 194 ILE CD1 C 13 14.827 . . . . . . . . 194 I CD1 . 51430 1 337 . 1 . 1 195 195 VAL HG11 H 1 0.948 . . . . . . . . 195 V HG1 . 51430 1 338 . 1 . 1 195 195 VAL HG12 H 1 0.948 . . . . . . . . 195 V HG1 . 51430 1 339 . 1 . 1 195 195 VAL HG13 H 1 0.948 . . . . . . . . 195 V HG1 . 51430 1 340 . 1 . 1 195 195 VAL HG21 H 1 0.445 . . . . . . . . 195 V HG2 . 51430 1 341 . 1 . 1 195 195 VAL HG22 H 1 0.445 . . . . . . . . 195 V HG2 . 51430 1 342 . 1 . 1 195 195 VAL HG23 H 1 0.445 . . . . . . . . 195 V HG2 . 51430 1 343 . 1 . 1 195 195 VAL CG1 C 13 20.172 . . . . . . . . 195 V CG1 . 51430 1 344 . 1 . 1 195 195 VAL CG2 C 13 22.190 . . . . . . . . 195 V CG2 . 51430 1 345 . 1 . 1 200 200 VAL HG11 H 1 0.991 . . . . . . . . 200 V HG1 . 51430 1 346 . 1 . 1 200 200 VAL HG12 H 1 0.991 . . . . . . . . 200 V HG1 . 51430 1 347 . 1 . 1 200 200 VAL HG13 H 1 0.991 . . . . . . . . 200 V HG1 . 51430 1 348 . 1 . 1 200 200 VAL HG21 H 1 1.133 . . . . . . . . 200 V HG2 . 51430 1 349 . 1 . 1 200 200 VAL HG22 H 1 1.133 . . . . . . . . 200 V HG2 . 51430 1 350 . 1 . 1 200 200 VAL HG23 H 1 1.133 . . . . . . . . 200 V HG2 . 51430 1 351 . 1 . 1 200 200 VAL CG1 C 13 21.975 . . . . . . . . 200 V CG1 . 51430 1 352 . 1 . 1 200 200 VAL CG2 C 13 24.141 . . . . . . . . 200 V CG2 . 51430 1 353 . 1 . 1 201 201 ILE HD11 H 1 0.693 . . . . . . . . 201 I HD1 . 51430 1 354 . 1 . 1 201 201 ILE HD12 H 1 0.693 . . . . . . . . 201 I HD1 . 51430 1 355 . 1 . 1 201 201 ILE HD13 H 1 0.693 . . . . . . . . 201 I HD1 . 51430 1 356 . 1 . 1 201 201 ILE CD1 C 13 11.754 . . . . . . . . 201 I CD1 . 51430 1 357 . 1 . 1 203 203 LEU HD11 H 1 0.604 . . . . . . . . 203 L HD1 . 51430 1 358 . 1 . 1 203 203 LEU HD12 H 1 0.604 . . . . . . . . 203 L HD1 . 51430 1 359 . 1 . 1 203 203 LEU HD13 H 1 0.604 . . . . . . . . 203 L HD1 . 51430 1 360 . 1 . 1 203 203 LEU HD21 H 1 0.659 . . . . . . . . 203 L HD2 . 51430 1 361 . 1 . 1 203 203 LEU HD22 H 1 0.659 . . . . . . . . 203 L HD2 . 51430 1 362 . 1 . 1 203 203 LEU HD23 H 1 0.659 . . . . . . . . 203 L HD2 . 51430 1 363 . 1 . 1 203 203 LEU CD1 C 13 23.675 . . . . . . . . 203 L CD1 . 51430 1 364 . 1 . 1 203 203 LEU CD2 C 13 24.531 . . . . . . . . 203 L CD2 . 51430 1 365 . 1 . 1 207 207 LEU HD11 H 1 0.657 . . . . . . . . 207 L HD1 . 51430 1 366 . 1 . 1 207 207 LEU HD12 H 1 0.657 . . . . . . . . 207 L HD1 . 51430 1 367 . 1 . 1 207 207 LEU HD13 H 1 0.657 . . . . . . . . 207 L HD1 . 51430 1 368 . 1 . 1 207 207 LEU HD21 H 1 0.642 . . . . . . . . 207 L HD2 . 51430 1 369 . 1 . 1 207 207 LEU HD22 H 1 0.642 . . . . . . . . 207 L HD2 . 51430 1 370 . 1 . 1 207 207 LEU HD23 H 1 0.642 . . . . . . . . 207 L HD2 . 51430 1 371 . 1 . 1 207 207 LEU CD1 C 13 24.756 . . . . . . . . 207 L CD1 . 51430 1 372 . 1 . 1 207 207 LEU CD2 C 13 23.402 . . . . . . . . 207 L CD2 . 51430 1 373 . 1 . 1 214 214 LEU HD11 H 1 0.817 . . . . . . . . 214 L HD1 . 51430 1 374 . 1 . 1 214 214 LEU HD12 H 1 0.817 . . . . . . . . 214 L HD1 . 51430 1 375 . 1 . 1 214 214 LEU HD13 H 1 0.817 . . . . . . . . 214 L HD1 . 51430 1 376 . 1 . 1 214 214 LEU HD21 H 1 0.808 . . . . . . . . 214 L HD2 . 51430 1 377 . 1 . 1 214 214 LEU HD22 H 1 0.808 . . . . . . . . 214 L HD2 . 51430 1 378 . 1 . 1 214 214 LEU HD23 H 1 0.808 . . . . . . . . 214 L HD2 . 51430 1 379 . 1 . 1 214 214 LEU CD1 C 13 25.947 . . . . . . . . 214 L CD1 . 51430 1 380 . 1 . 1 214 214 LEU CD2 C 13 27.427 . . . . . . . . 214 L CD2 . 51430 1 381 . 1 . 1 216 216 VAL HG11 H 1 0.518 . . . . . . . . 216 V HG1 . 51430 1 382 . 1 . 1 216 216 VAL HG12 H 1 0.518 . . . . . . . . 216 V HG1 . 51430 1 383 . 1 . 1 216 216 VAL HG13 H 1 0.518 . . . . . . . . 216 V HG1 . 51430 1 384 . 1 . 1 216 216 VAL HG21 H 1 0.529 . . . . . . . . 216 V HG2 . 51430 1 385 . 1 . 1 216 216 VAL HG22 H 1 0.529 . . . . . . . . 216 V HG2 . 51430 1 386 . 1 . 1 216 216 VAL HG23 H 1 0.529 . . . . . . . . 216 V HG2 . 51430 1 387 . 1 . 1 216 216 VAL CG1 C 13 21.347 . . . . . . . . 216 V CG1 . 51430 1 388 . 1 . 1 216 216 VAL CG2 C 13 21.474 . . . . . . . . 216 V CG2 . 51430 1 389 . 1 . 1 218 218 ILE HD11 H 1 0.819 . . . . . . . . 218 I HD1 . 51430 1 390 . 1 . 1 218 218 ILE HD12 H 1 0.819 . . . . . . . . 218 I HD1 . 51430 1 391 . 1 . 1 218 218 ILE HD13 H 1 0.819 . . . . . . . . 218 I HD1 . 51430 1 392 . 1 . 1 218 218 ILE CD1 C 13 12.537 . . . . . . . . 218 I CD1 . 51430 1 393 . 1 . 1 223 223 ILE HD11 H 1 0.399 . . . . . . . . 223 I HD1 . 51430 1 394 . 1 . 1 223 223 ILE HD12 H 1 0.399 . . . . . . . . 223 I HD1 . 51430 1 395 . 1 . 1 223 223 ILE HD13 H 1 0.399 . . . . . . . . 223 I HD1 . 51430 1 396 . 1 . 1 223 223 ILE CD1 C 13 13.097 . . . . . . . . 223 I CD1 . 51430 1 397 . 1 . 1 227 227 VAL HG11 H 1 0.997 . . . . . . . . 227 V HG1 . 51430 1 398 . 1 . 1 227 227 VAL HG12 H 1 0.997 . . . . . . . . 227 V HG1 . 51430 1 399 . 1 . 1 227 227 VAL HG13 H 1 0.997 . . . . . . . . 227 V HG1 . 51430 1 400 . 1 . 1 227 227 VAL HG21 H 1 0.9 . . . . . . . . 227 V HG2 . 51430 1 401 . 1 . 1 227 227 VAL HG22 H 1 0.9 . . . . . . . . 227 V HG2 . 51430 1 402 . 1 . 1 227 227 VAL HG23 H 1 0.9 . . . . . . . . 227 V HG2 . 51430 1 403 . 1 . 1 227 227 VAL CG1 C 13 21.039 . . . . . . . . 227 V CG1 . 51430 1 404 . 1 . 1 227 227 VAL CG2 C 13 21.552 . . . . . . . . 227 V CG2 . 51430 1 405 . 1 . 1 231 231 ILE HD11 H 1 0.644 . . . . . . . . 231 I HD1 . 51430 1 406 . 1 . 1 231 231 ILE HD12 H 1 0.644 . . . . . . . . 231 I HD1 . 51430 1 407 . 1 . 1 231 231 ILE HD13 H 1 0.644 . . . . . . . . 231 I HD1 . 51430 1 408 . 1 . 1 231 231 ILE CD1 C 13 14.095 . . . . . . . . 231 I CD1 . 51430 1 409 . 1 . 1 236 236 LEU HD11 H 1 0.636 . . . . . . . . 236 L HD1 . 51430 1 410 . 1 . 1 236 236 LEU HD12 H 1 0.636 . . . . . . . . 236 L HD1 . 51430 1 411 . 1 . 1 236 236 LEU HD13 H 1 0.636 . . . . . . . . 236 L HD1 . 51430 1 412 . 1 . 1 236 236 LEU HD21 H 1 0.633 . . . . . . . . 236 L HD2 . 51430 1 413 . 1 . 1 236 236 LEU HD22 H 1 0.633 . . . . . . . . 236 L HD2 . 51430 1 414 . 1 . 1 236 236 LEU HD23 H 1 0.633 . . . . . . . . 236 L HD2 . 51430 1 415 . 1 . 1 236 236 LEU CD1 C 13 22.709 . . . . . . . . 236 L CD1 . 51430 1 416 . 1 . 1 236 236 LEU CD2 C 13 25.622 . . . . . . . . 236 L CD2 . 51430 1 417 . 1 . 1 237 237 VAL HG11 H 1 1.014 . . . . . . . . 237 V HG1 . 51430 1 418 . 1 . 1 237 237 VAL HG12 H 1 1.014 . . . . . . . . 237 V HG1 . 51430 1 419 . 1 . 1 237 237 VAL HG13 H 1 1.014 . . . . . . . . 237 V HG1 . 51430 1 420 . 1 . 1 237 237 VAL HG21 H 1 0.897 . . . . . . . . 237 V HG2 . 51430 1 421 . 1 . 1 237 237 VAL HG22 H 1 0.897 . . . . . . . . 237 V HG2 . 51430 1 422 . 1 . 1 237 237 VAL HG23 H 1 0.897 . . . . . . . . 237 V HG2 . 51430 1 423 . 1 . 1 237 237 VAL CG1 C 13 21.129 . . . . . . . . 237 V CG1 . 51430 1 424 . 1 . 1 237 237 VAL CG2 C 13 21.402 . . . . . . . . 237 V CG2 . 51430 1 425 . 1 . 1 247 247 VAL HG11 H 1 0.891 . . . . . . . . 247 V HG1 . 51430 1 426 . 1 . 1 247 247 VAL HG12 H 1 0.891 . . . . . . . . 247 V HG1 . 51430 1 427 . 1 . 1 247 247 VAL HG13 H 1 0.891 . . . . . . . . 247 V HG1 . 51430 1 428 . 1 . 1 247 247 VAL HG21 H 1 0.51 . . . . . . . . 247 V HG2 . 51430 1 429 . 1 . 1 247 247 VAL HG22 H 1 0.51 . . . . . . . . 247 V HG2 . 51430 1 430 . 1 . 1 247 247 VAL HG23 H 1 0.51 . . . . . . . . 247 V HG2 . 51430 1 431 . 1 . 1 247 247 VAL CG1 C 13 21.060 . . . . . . . . 247 V CG1 . 51430 1 432 . 1 . 1 247 247 VAL CG2 C 13 20.737 . . . . . . . . 247 V CG2 . 51430 1 433 . 1 . 1 248 248 LEU HD11 H 1 0.929 . . . . . . . . 248 L HD1 . 51430 1 434 . 1 . 1 248 248 LEU HD12 H 1 0.929 . . . . . . . . 248 L HD1 . 51430 1 435 . 1 . 1 248 248 LEU HD13 H 1 0.929 . . . . . . . . 248 L HD1 . 51430 1 436 . 1 . 1 248 248 LEU HD21 H 1 0.709 . . . . . . . . 248 L HD2 . 51430 1 437 . 1 . 1 248 248 LEU HD22 H 1 0.709 . . . . . . . . 248 L HD2 . 51430 1 438 . 1 . 1 248 248 LEU HD23 H 1 0.709 . . . . . . . . 248 L HD2 . 51430 1 439 . 1 . 1 248 248 LEU CD1 C 13 25.525 . . . . . . . . 248 L CD1 . 51430 1 440 . 1 . 1 248 248 LEU CD2 C 13 22.487 . . . . . . . . 248 L CD2 . 51430 1 441 . 1 . 1 256 256 LEU HD11 H 1 0.903 . . . . . . . . 256 L HD1 . 51430 1 442 . 1 . 1 256 256 LEU HD12 H 1 0.903 . . . . . . . . 256 L HD1 . 51430 1 443 . 1 . 1 256 256 LEU HD13 H 1 0.903 . . . . . . . . 256 L HD1 . 51430 1 444 . 1 . 1 256 256 LEU HD21 H 1 0.783 . . . . . . . . 256 L HD2 . 51430 1 445 . 1 . 1 256 256 LEU HD22 H 1 0.783 . . . . . . . . 256 L HD2 . 51430 1 446 . 1 . 1 256 256 LEU HD23 H 1 0.783 . . . . . . . . 256 L HD2 . 51430 1 447 . 1 . 1 256 256 LEU CD1 C 13 25.625 . . . . . . . . 256 L CD1 . 51430 1 448 . 1 . 1 256 256 LEU CD2 C 13 25.879 . . . . . . . . 256 L CD2 . 51430 1 449 . 1 . 1 262 262 LEU HD11 H 1 0.981 . . . . . . . . 262 L HD1 . 51430 1 450 . 1 . 1 262 262 LEU HD12 H 1 0.981 . . . . . . . . 262 L HD1 . 51430 1 451 . 1 . 1 262 262 LEU HD13 H 1 0.981 . . . . . . . . 262 L HD1 . 51430 1 452 . 1 . 1 262 262 LEU HD21 H 1 1.022 . . . . . . . . 262 L HD2 . 51430 1 453 . 1 . 1 262 262 LEU HD22 H 1 1.022 . . . . . . . . 262 L HD2 . 51430 1 454 . 1 . 1 262 262 LEU HD23 H 1 1.022 . . . . . . . . 262 L HD2 . 51430 1 455 . 1 . 1 262 262 LEU CD1 C 13 24.228 . . . . . . . . 262 L CD1 . 51430 1 456 . 1 . 1 262 262 LEU CD2 C 13 24.630 . . . . . . . . 262 L CD2 . 51430 1 457 . 1 . 1 263 263 LEU HD11 H 1 0.594 . . . . . . . . 263 L HD1 . 51430 1 458 . 1 . 1 263 263 LEU HD12 H 1 0.594 . . . . . . . . 263 L HD1 . 51430 1 459 . 1 . 1 263 263 LEU HD13 H 1 0.594 . . . . . . . . 263 L HD1 . 51430 1 460 . 1 . 1 263 263 LEU HD21 H 1 0.614 . . . . . . . . 263 L HD2 . 51430 1 461 . 1 . 1 263 263 LEU HD22 H 1 0.614 . . . . . . . . 263 L HD2 . 51430 1 462 . 1 . 1 263 263 LEU HD23 H 1 0.614 . . . . . . . . 263 L HD2 . 51430 1 463 . 1 . 1 263 263 LEU CD1 C 13 25.320 . . . . . . . . 263 L CD1 . 51430 1 464 . 1 . 1 263 263 LEU CD2 C 13 24.240 . . . . . . . . 263 L CD2 . 51430 1 465 . 1 . 1 272 272 ILE HD11 H 1 0.734 . . . . . . . . 272 I HD1 . 51430 1 466 . 1 . 1 272 272 ILE HD12 H 1 0.734 . . . . . . . . 272 I HD1 . 51430 1 467 . 1 . 1 272 272 ILE HD13 H 1 0.734 . . . . . . . . 272 I HD1 . 51430 1 468 . 1 . 1 272 272 ILE CD1 C 13 13.961 . . . . . . . . 272 I CD1 . 51430 1 469 . 1 . 1 273 273 LEU HD11 H 1 0.871 . . . . . . . . 273 L HD1 . 51430 1 470 . 1 . 1 273 273 LEU HD12 H 1 0.871 . . . . . . . . 273 L HD1 . 51430 1 471 . 1 . 1 273 273 LEU HD13 H 1 0.871 . . . . . . . . 273 L HD1 . 51430 1 472 . 1 . 1 273 273 LEU HD21 H 1 1.097 . . . . . . . . 273 L HD2 . 51430 1 473 . 1 . 1 273 273 LEU HD22 H 1 1.097 . . . . . . . . 273 L HD2 . 51430 1 474 . 1 . 1 273 273 LEU HD23 H 1 1.097 . . . . . . . . 273 L HD2 . 51430 1 475 . 1 . 1 273 273 LEU CD1 C 13 22.593 . . . . . . . . 273 L CD1 . 51430 1 476 . 1 . 1 273 273 LEU CD2 C 13 26.824 . . . . . . . . 273 L CD2 . 51430 1 477 . 1 . 1 281 281 VAL HG11 H 1 0.977 . . . . . . . . 281 V HG1 . 51430 1 478 . 1 . 1 281 281 VAL HG12 H 1 0.977 . . . . . . . . 281 V HG1 . 51430 1 479 . 1 . 1 281 281 VAL HG13 H 1 0.977 . . . . . . . . 281 V HG1 . 51430 1 480 . 1 . 1 281 281 VAL HG21 H 1 0.946 . . . . . . . . 281 V HG2 . 51430 1 481 . 1 . 1 281 281 VAL HG22 H 1 0.946 . . . . . . . . 281 V HG2 . 51430 1 482 . 1 . 1 281 281 VAL HG23 H 1 0.946 . . . . . . . . 281 V HG2 . 51430 1 483 . 1 . 1 281 281 VAL CG1 C 13 18.517 . . . . . . . . 281 V CG1 . 51430 1 484 . 1 . 1 281 281 VAL CG2 C 13 21.302 . . . . . . . . 281 V CG2 . 51430 1 485 . 1 . 1 283 283 LEU HD21 H 1 0.629 . . . . . . . . 283 L HD2 . 51430 1 486 . 1 . 1 283 283 LEU HD22 H 1 0.629 . . . . . . . . 283 L HD2 . 51430 1 487 . 1 . 1 283 283 LEU HD23 H 1 0.629 . . . . . . . . 283 L HD2 . 51430 1 488 . 1 . 1 283 283 LEU CD2 C 13 26.231 . . . . . . . . 283 L CD2 . 51430 1 489 . 1 . 1 285 285 VAL HG11 H 1 0.459 . . . . . . . . 285 V HG1 . 51430 1 490 . 1 . 1 285 285 VAL HG12 H 1 0.459 . . . . . . . . 285 V HG1 . 51430 1 491 . 1 . 1 285 285 VAL HG13 H 1 0.459 . . . . . . . . 285 V HG1 . 51430 1 492 . 1 . 1 285 285 VAL HG21 H 1 0.167 . . . . . . . . 285 V HG2 . 51430 1 493 . 1 . 1 285 285 VAL HG22 H 1 0.167 . . . . . . . . 285 V HG2 . 51430 1 494 . 1 . 1 285 285 VAL HG23 H 1 0.167 . . . . . . . . 285 V HG2 . 51430 1 495 . 1 . 1 285 285 VAL CG1 C 13 19.841 . . . . . . . . 285 V CG1 . 51430 1 496 . 1 . 1 285 285 VAL CG2 C 13 21.338 . . . . . . . . 285 V CG2 . 51430 1 497 . 1 . 1 290 290 LEU HD11 H 1 0.734 . . . . . . . . 290 L HD1 . 51430 1 498 . 1 . 1 290 290 LEU HD12 H 1 0.734 . . . . . . . . 290 L HD1 . 51430 1 499 . 1 . 1 290 290 LEU HD13 H 1 0.734 . . . . . . . . 290 L HD1 . 51430 1 500 . 1 . 1 290 290 LEU HD21 H 1 0.642 . . . . . . . . 290 L HD2 . 51430 1 501 . 1 . 1 290 290 LEU HD22 H 1 0.642 . . . . . . . . 290 L HD2 . 51430 1 502 . 1 . 1 290 290 LEU HD23 H 1 0.642 . . . . . . . . 290 L HD2 . 51430 1 503 . 1 . 1 290 290 LEU CD1 C 13 26.975 . . . . . . . . 290 L CD1 . 51430 1 504 . 1 . 1 290 290 LEU CD2 C 13 25.746 . . . . . . . . 290 L CD2 . 51430 1 505 . 1 . 1 292 292 ILE HD11 H 1 -0.101 . . . . . . . . 292 I HD1 . 51430 1 506 . 1 . 1 292 292 ILE HD12 H 1 -0.101 . . . . . . . . 292 I HD1 . 51430 1 507 . 1 . 1 292 292 ILE HD13 H 1 -0.101 . . . . . . . . 292 I HD1 . 51430 1 508 . 1 . 1 292 292 ILE CD1 C 13 13.868 . . . . . . . . 292 I CD1 . 51430 1 509 . 1 . 1 305 305 ILE HD11 H 1 0.775 . . . . . . . . 305 I HD1 . 51430 1 510 . 1 . 1 305 305 ILE HD12 H 1 0.775 . . . . . . . . 305 I HD1 . 51430 1 511 . 1 . 1 305 305 ILE HD13 H 1 0.775 . . . . . . . . 305 I HD1 . 51430 1 512 . 1 . 1 305 305 ILE CD1 C 13 12.648 . . . . . . . . 305 I CD1 . 51430 1 513 . 1 . 1 306 306 LEU HD11 H 1 0.695 . . . . . . . . 306 L HD1 . 51430 1 514 . 1 . 1 306 306 LEU HD12 H 1 0.695 . . . . . . . . 306 L HD1 . 51430 1 515 . 1 . 1 306 306 LEU HD13 H 1 0.695 . . . . . . . . 306 L HD1 . 51430 1 516 . 1 . 1 306 306 LEU HD21 H 1 0.744 . . . . . . . . 306 L HD2 . 51430 1 517 . 1 . 1 306 306 LEU HD22 H 1 0.744 . . . . . . . . 306 L HD2 . 51430 1 518 . 1 . 1 306 306 LEU HD23 H 1 0.744 . . . . . . . . 306 L HD2 . 51430 1 519 . 1 . 1 306 306 LEU CD1 C 13 25.614 . . . . . . . . 306 L CD1 . 51430 1 520 . 1 . 1 306 306 LEU CD2 C 13 26.667 . . . . . . . . 306 L CD2 . 51430 1 521 . 1 . 1 308 308 VAL HG11 H 1 0.815 . . . . . . . . 308 V HG1 . 51430 1 522 . 1 . 1 308 308 VAL HG12 H 1 0.815 . . . . . . . . 308 V HG1 . 51430 1 523 . 1 . 1 308 308 VAL HG13 H 1 0.815 . . . . . . . . 308 V HG1 . 51430 1 524 . 1 . 1 308 308 VAL HG21 H 1 0.538 . . . . . . . . 308 V HG2 . 51430 1 525 . 1 . 1 308 308 VAL HG22 H 1 0.538 . . . . . . . . 308 V HG2 . 51430 1 526 . 1 . 1 308 308 VAL HG23 H 1 0.538 . . . . . . . . 308 V HG2 . 51430 1 527 . 1 . 1 308 308 VAL CG1 C 13 23.120 . . . . . . . . 308 V CG1 . 51430 1 528 . 1 . 1 308 308 VAL CG2 C 13 17.935 . . . . . . . . 308 V CG2 . 51430 1 529 . 1 . 1 317 317 ILE HD11 H 1 0.889 . . . . . . . . 317 I HD1 . 51430 1 530 . 1 . 1 317 317 ILE HD12 H 1 0.889 . . . . . . . . 317 I HD1 . 51430 1 531 . 1 . 1 317 317 ILE HD13 H 1 0.889 . . . . . . . . 317 I HD1 . 51430 1 532 . 1 . 1 317 317 ILE CD1 C 13 15.218 . . . . . . . . 317 I CD1 . 51430 1 533 . 1 . 1 321 321 VAL HG11 H 1 0.931 . . . . . . . . 321 V HG1 . 51430 1 534 . 1 . 1 321 321 VAL HG12 H 1 0.931 . . . . . . . . 321 V HG1 . 51430 1 535 . 1 . 1 321 321 VAL HG13 H 1 0.931 . . . . . . . . 321 V HG1 . 51430 1 536 . 1 . 1 321 321 VAL HG21 H 1 1.019 . . . . . . . . 321 V HG2 . 51430 1 537 . 1 . 1 321 321 VAL HG22 H 1 1.019 . . . . . . . . 321 V HG2 . 51430 1 538 . 1 . 1 321 321 VAL HG23 H 1 1.019 . . . . . . . . 321 V HG2 . 51430 1 539 . 1 . 1 321 321 VAL CG1 C 13 19.307 . . . . . . . . 321 V CG1 . 51430 1 540 . 1 . 1 321 321 VAL CG2 C 13 23.547 . . . . . . . . 321 V CG2 . 51430 1 541 . 1 . 1 324 324 VAL HG11 H 1 0.374 . . . . . . . . 324 V HG1 . 51430 1 542 . 1 . 1 324 324 VAL HG12 H 1 0.374 . . . . . . . . 324 V HG1 . 51430 1 543 . 1 . 1 324 324 VAL HG13 H 1 0.374 . . . . . . . . 324 V HG1 . 51430 1 544 . 1 . 1 324 324 VAL CG1 C 13 20.824 . . . . . . . . 324 V CG1 . 51430 1 545 . 1 . 1 325 325 LEU HD11 H 1 0.713 . . . . . . . . 325 L HD1 . 51430 1 546 . 1 . 1 325 325 LEU HD12 H 1 0.713 . . . . . . . . 325 L HD1 . 51430 1 547 . 1 . 1 325 325 LEU HD13 H 1 0.713 . . . . . . . . 325 L HD1 . 51430 1 548 . 1 . 1 325 325 LEU HD21 H 1 0.875 . . . . . . . . 325 L HD2 . 51430 1 549 . 1 . 1 325 325 LEU HD22 H 1 0.875 . . . . . . . . 325 L HD2 . 51430 1 550 . 1 . 1 325 325 LEU HD23 H 1 0.875 . . . . . . . . 325 L HD2 . 51430 1 551 . 1 . 1 325 325 LEU CD1 C 13 25.073 . . . . . . . . 325 L CD1 . 51430 1 552 . 1 . 1 325 325 LEU CD2 C 13 23.828 . . . . . . . . 325 L CD2 . 51430 1 553 . 1 . 1 327 327 VAL HG11 H 1 -0.155 . . . . . . . . 327 V HG1 . 51430 1 554 . 1 . 1 327 327 VAL HG12 H 1 -0.155 . . . . . . . . 327 V HG1 . 51430 1 555 . 1 . 1 327 327 VAL HG13 H 1 -0.155 . . . . . . . . 327 V HG1 . 51430 1 556 . 1 . 1 327 327 VAL HG21 H 1 0.209 . . . . . . . . 327 V HG2 . 51430 1 557 . 1 . 1 327 327 VAL HG22 H 1 0.209 . . . . . . . . 327 V HG2 . 51430 1 558 . 1 . 1 327 327 VAL HG23 H 1 0.209 . . . . . . . . 327 V HG2 . 51430 1 559 . 1 . 1 327 327 VAL CG1 C 13 19.876 . . . . . . . . 327 V CG1 . 51430 1 560 . 1 . 1 327 327 VAL CG2 C 13 21.424 . . . . . . . . 327 V CG2 . 51430 1 561 . 1 . 1 328 328 LEU HD11 H 1 0.788 . . . . . . . . 328 L HD1 . 51430 1 562 . 1 . 1 328 328 LEU HD12 H 1 0.788 . . . . . . . . 328 L HD1 . 51430 1 563 . 1 . 1 328 328 LEU HD13 H 1 0.788 . . . . . . . . 328 L HD1 . 51430 1 564 . 1 . 1 328 328 LEU HD21 H 1 0.694 . . . . . . . . 328 L HD2 . 51430 1 565 . 1 . 1 328 328 LEU HD22 H 1 0.694 . . . . . . . . 328 L HD2 . 51430 1 566 . 1 . 1 328 328 LEU HD23 H 1 0.694 . . . . . . . . 328 L HD2 . 51430 1 567 . 1 . 1 328 328 LEU CD1 C 13 22.381 . . . . . . . . 328 L CD1 . 51430 1 568 . 1 . 1 328 328 LEU CD2 C 13 26.492 . . . . . . . . 328 L CD2 . 51430 1 569 . 1 . 1 331 331 LEU HD11 H 1 1.105 . . . . . . . . 331 L HD1 . 51430 1 570 . 1 . 1 331 331 LEU HD12 H 1 1.105 . . . . . . . . 331 L HD1 . 51430 1 571 . 1 . 1 331 331 LEU HD13 H 1 1.105 . . . . . . . . 331 L HD1 . 51430 1 572 . 1 . 1 331 331 LEU HD21 H 1 0.685 . . . . . . . . 331 L HD2 . 51430 1 573 . 1 . 1 331 331 LEU HD22 H 1 0.685 . . . . . . . . 331 L HD2 . 51430 1 574 . 1 . 1 331 331 LEU HD23 H 1 0.685 . . . . . . . . 331 L HD2 . 51430 1 575 . 1 . 1 331 331 LEU CD1 C 13 24.803 . . . . . . . . 331 L CD1 . 51430 1 576 . 1 . 1 331 331 LEU CD2 C 13 27.178 . . . . . . . . 331 L CD2 . 51430 1 577 . 1 . 1 336 336 VAL HG11 H 1 0.721 . . . . . . . . 336 V HG1 . 51430 1 578 . 1 . 1 336 336 VAL HG12 H 1 0.721 . . . . . . . . 336 V HG1 . 51430 1 579 . 1 . 1 336 336 VAL HG13 H 1 0.721 . . . . . . . . 336 V HG1 . 51430 1 580 . 1 . 1 336 336 VAL HG21 H 1 0.734 . . . . . . . . 336 V HG2 . 51430 1 581 . 1 . 1 336 336 VAL HG22 H 1 0.734 . . . . . . . . 336 V HG2 . 51430 1 582 . 1 . 1 336 336 VAL HG23 H 1 0.734 . . . . . . . . 336 V HG2 . 51430 1 583 . 1 . 1 336 336 VAL CG1 C 13 20.758 . . . . . . . . 336 V CG1 . 51430 1 584 . 1 . 1 336 336 VAL CG2 C 13 21.822 . . . . . . . . 336 V CG2 . 51430 1 585 . 1 . 1 340 340 LEU HD11 H 1 0.829 . . . . . . . . 340 L HD1 . 51430 1 586 . 1 . 1 340 340 LEU HD12 H 1 0.829 . . . . . . . . 340 L HD1 . 51430 1 587 . 1 . 1 340 340 LEU HD13 H 1 0.829 . . . . . . . . 340 L HD1 . 51430 1 588 . 1 . 1 340 340 LEU HD21 H 1 0.892 . . . . . . . . 340 L HD2 . 51430 1 589 . 1 . 1 340 340 LEU HD22 H 1 0.892 . . . . . . . . 340 L HD2 . 51430 1 590 . 1 . 1 340 340 LEU HD23 H 1 0.892 . . . . . . . . 340 L HD2 . 51430 1 591 . 1 . 1 340 340 LEU CD1 C 13 22.664 . . . . . . . . 340 L CD1 . 51430 1 592 . 1 . 1 340 340 LEU CD2 C 13 25.668 . . . . . . . . 340 L CD2 . 51430 1 593 . 1 . 1 344 344 VAL HG11 H 1 0.854 . . . . . . . . 344 V HG1 . 51430 1 594 . 1 . 1 344 344 VAL HG12 H 1 0.854 . . . . . . . . 344 V HG1 . 51430 1 595 . 1 . 1 344 344 VAL HG13 H 1 0.854 . . . . . . . . 344 V HG1 . 51430 1 596 . 1 . 1 344 344 VAL HG21 H 1 0.799 . . . . . . . . 344 V HG2 . 51430 1 597 . 1 . 1 344 344 VAL HG22 H 1 0.799 . . . . . . . . 344 V HG2 . 51430 1 598 . 1 . 1 344 344 VAL HG23 H 1 0.799 . . . . . . . . 344 V HG2 . 51430 1 599 . 1 . 1 344 344 VAL CG1 C 13 21.318 . . . . . . . . 344 V CG1 . 51430 1 600 . 1 . 1 344 344 VAL CG2 C 13 18.695 . . . . . . . . 344 V CG2 . 51430 1 601 . 1 . 1 347 347 VAL HG11 H 1 1.019 . . . . . . . . 347 V HG1 . 51430 1 602 . 1 . 1 347 347 VAL HG12 H 1 1.019 . . . . . . . . 347 V HG1 . 51430 1 603 . 1 . 1 347 347 VAL HG13 H 1 1.019 . . . . . . . . 347 V HG1 . 51430 1 604 . 1 . 1 347 347 VAL HG21 H 1 1.220 . . . . . . . . 347 V HG2 . 51430 1 605 . 1 . 1 347 347 VAL HG22 H 1 1.220 . . . . . . . . 347 V HG2 . 51430 1 606 . 1 . 1 347 347 VAL HG23 H 1 1.220 . . . . . . . . 347 V HG2 . 51430 1 607 . 1 . 1 347 347 VAL CG1 C 13 20.817 . . . . . . . . 347 V CG1 . 51430 1 608 . 1 . 1 347 347 VAL CG2 C 13 22.161 . . . . . . . . 347 V CG2 . 51430 1 609 . 1 . 1 349 349 ILE HD11 H 1 0.601 . . . . . . . . 349 I HD1 . 51430 1 610 . 1 . 1 349 349 ILE HD12 H 1 0.601 . . . . . . . . 349 I HD1 . 51430 1 611 . 1 . 1 349 349 ILE HD13 H 1 0.601 . . . . . . . . 349 I HD1 . 51430 1 612 . 1 . 1 349 349 ILE CD1 C 13 13.179 . . . . . . . . 349 I CD1 . 51430 1 613 . 1 . 1 360 360 VAL HG11 H 1 1.004 . . . . . . . . 360 V HG1 . 51430 1 614 . 1 . 1 360 360 VAL HG12 H 1 1.004 . . . . . . . . 360 V HG1 . 51430 1 615 . 1 . 1 360 360 VAL HG13 H 1 1.004 . . . . . . . . 360 V HG1 . 51430 1 616 . 1 . 1 360 360 VAL HG21 H 1 0.909 . . . . . . . . 360 V HG2 . 51430 1 617 . 1 . 1 360 360 VAL HG22 H 1 0.909 . . . . . . . . 360 V HG2 . 51430 1 618 . 1 . 1 360 360 VAL HG23 H 1 0.909 . . . . . . . . 360 V HG2 . 51430 1 619 . 1 . 1 360 360 VAL CG1 C 13 21.955 . . . . . . . . 360 V CG1 . 51430 1 620 . 1 . 1 360 360 VAL CG2 C 13 22.116 . . . . . . . . 360 V CG2 . 51430 1 621 . 1 . 1 361 361 VAL HG11 H 1 1.071 . . . . . . . . 361 V HG1 . 51430 1 622 . 1 . 1 361 361 VAL HG12 H 1 1.071 . . . . . . . . 361 V HG1 . 51430 1 623 . 1 . 1 361 361 VAL HG13 H 1 1.071 . . . . . . . . 361 V HG1 . 51430 1 624 . 1 . 1 361 361 VAL HG21 H 1 0.704 . . . . . . . . 361 V HG2 . 51430 1 625 . 1 . 1 361 361 VAL HG22 H 1 0.704 . . . . . . . . 361 V HG2 . 51430 1 626 . 1 . 1 361 361 VAL HG23 H 1 0.704 . . . . . . . . 361 V HG2 . 51430 1 627 . 1 . 1 361 361 VAL CG1 C 13 22.451 . . . . . . . . 361 V CG1 . 51430 1 628 . 1 . 1 361 361 VAL CG2 C 13 20.423 . . . . . . . . 361 V CG2 . 51430 1 629 . 1 . 1 366 366 LEU HD11 H 1 1.073 . . . . . . . . 366 L HD1 . 51430 1 630 . 1 . 1 366 366 LEU HD12 H 1 1.073 . . . . . . . . 366 L HD1 . 51430 1 631 . 1 . 1 366 366 LEU HD13 H 1 1.073 . . . . . . . . 366 L HD1 . 51430 1 632 . 1 . 1 366 366 LEU HD21 H 1 0.917 . . . . . . . . 366 L HD2 . 51430 1 633 . 1 . 1 366 366 LEU HD22 H 1 0.917 . . . . . . . . 366 L HD2 . 51430 1 634 . 1 . 1 366 366 LEU HD23 H 1 0.917 . . . . . . . . 366 L HD2 . 51430 1 635 . 1 . 1 366 366 LEU CD1 C 13 24.920 . . . . . . . . 366 L CD1 . 51430 1 636 . 1 . 1 366 366 LEU CD2 C 13 25.841 . . . . . . . . 366 L CD2 . 51430 1 stop_ save_