data_52954 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52954 _Entry.Title ; Assignment of the Delta Prime Subunit in the Assembled Clamp Loader ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-07 _Entry.Accession_date 2025-03-07 _Entry.Last_release_date 2025-03-07 _Entry.Original_release_date 2025-03-07 _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 Sam Mahdi . . . . 52954 2 Irina Bezsonova . . . . 52954 3 Penny Beuning . . . . 52954 4 Dmitry Korzhnev . . . . 52954 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52954 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 93 52954 '1H chemical shifts' 279 52954 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 . . 2025-11-08 . original BMRB . 52954 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52949 '15N 13C Assignment of the L238Q/L317Q Delta subunit of the clamp loader' 52954 BMRB 52950 'Assignment of the Delta Subunit of the Clamp Loader' 52954 BMRB 52951 'Assignment of the Delta Subunit in the Assembled Clamp Loader' 52954 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52954 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40694188 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Divide-and-Conquer Strategy for NMR Studies of the E. coli g-Clamp Loader Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2025 _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 Sam Mahdi S. . . . 52954 1 2 Irina Semenova I. V. . . 52954 1 3 Irina Bezsonova I. . . . 52954 1 4 Penny Beuning P. J. . . 52954 1 5 Dmitry Korzhnev D. M. . . 52954 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52954 _Assembly.ID 1 _Assembly.Name 'The Delta Prime Subunit in the Assembled Clamp Loader' _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 Delta Prime Subunit in the Assembled Clamp Loader' 1 $entity_1 . . yes native no no . . . 52954 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52954 _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 ; MRWYPWLRPDFEKLVASYQA GRGHHALLIQALPGMGDDAL IYALSRYLLCQQPQGHKSCG HCRGCQLMQAGTHPDYYTLA PEKGKNTLGVDAVREVTEKL NEHARLGGAKVVWVTDAALL TDAAANALLKTLEEPPAETW FFLATREPERLLATLRSRCR LHYLAPPPEQYAVTWLSREV TMSQDALLAALRLSAGSPGA ALALFQGDNWQARETLCQAL AYSVPSGDWYSLLAALNHEQ APARLHWLATLLMDALKRHH GAAQVTNVDVPGLVAELANH LSPSRLQAILGDVCHIREQL MSVTGINRELLITDLLLRIE HYLQPGVVLPVPHL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 334 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 52954 1 2 . ARG . 52954 1 3 . TRP . 52954 1 4 . TYR . 52954 1 5 . PRO . 52954 1 6 . TRP . 52954 1 7 . LEU . 52954 1 8 . ARG . 52954 1 9 . PRO . 52954 1 10 . ASP . 52954 1 11 . PHE . 52954 1 12 . GLU . 52954 1 13 . LYS . 52954 1 14 . LEU . 52954 1 15 . VAL . 52954 1 16 . ALA . 52954 1 17 . SER . 52954 1 18 . TYR . 52954 1 19 . GLN . 52954 1 20 . ALA . 52954 1 21 . GLY . 52954 1 22 . ARG . 52954 1 23 . GLY . 52954 1 24 . HIS . 52954 1 25 . HIS . 52954 1 26 . ALA . 52954 1 27 . LEU . 52954 1 28 . LEU . 52954 1 29 . ILE . 52954 1 30 . GLN . 52954 1 31 . ALA . 52954 1 32 . LEU . 52954 1 33 . PRO . 52954 1 34 . GLY . 52954 1 35 . MET . 52954 1 36 . GLY . 52954 1 37 . ASP . 52954 1 38 . ASP . 52954 1 39 . ALA . 52954 1 40 . LEU . 52954 1 41 . ILE . 52954 1 42 . TYR . 52954 1 43 . ALA . 52954 1 44 . LEU . 52954 1 45 . SER . 52954 1 46 . ARG . 52954 1 47 . TYR . 52954 1 48 . LEU . 52954 1 49 . LEU . 52954 1 50 . CYS . 52954 1 51 . GLN . 52954 1 52 . GLN . 52954 1 53 . PRO . 52954 1 54 . GLN . 52954 1 55 . GLY . 52954 1 56 . HIS . 52954 1 57 . LYS . 52954 1 58 . SER . 52954 1 59 . CYS . 52954 1 60 . GLY . 52954 1 61 . HIS . 52954 1 62 . CYS . 52954 1 63 . ARG . 52954 1 64 . GLY . 52954 1 65 . CYS . 52954 1 66 . GLN . 52954 1 67 . LEU . 52954 1 68 . MET . 52954 1 69 . GLN . 52954 1 70 . ALA . 52954 1 71 . GLY . 52954 1 72 . THR . 52954 1 73 . HIS . 52954 1 74 . PRO . 52954 1 75 . ASP . 52954 1 76 . TYR . 52954 1 77 . TYR . 52954 1 78 . THR . 52954 1 79 . LEU . 52954 1 80 . ALA . 52954 1 81 . PRO . 52954 1 82 . GLU . 52954 1 83 . LYS . 52954 1 84 . GLY . 52954 1 85 . LYS . 52954 1 86 . ASN . 52954 1 87 . THR . 52954 1 88 . LEU . 52954 1 89 . GLY . 52954 1 90 . VAL . 52954 1 91 . ASP . 52954 1 92 . ALA . 52954 1 93 . VAL . 52954 1 94 . ARG . 52954 1 95 . GLU . 52954 1 96 . VAL . 52954 1 97 . THR . 52954 1 98 . GLU . 52954 1 99 . LYS . 52954 1 100 . LEU . 52954 1 101 . ASN . 52954 1 102 . GLU . 52954 1 103 . HIS . 52954 1 104 . ALA . 52954 1 105 . ARG . 52954 1 106 . LEU . 52954 1 107 . GLY . 52954 1 108 . GLY . 52954 1 109 . ALA . 52954 1 110 . LYS . 52954 1 111 . VAL . 52954 1 112 . VAL . 52954 1 113 . TRP . 52954 1 114 . VAL . 52954 1 115 . THR . 52954 1 116 . ASP . 52954 1 117 . ALA . 52954 1 118 . ALA . 52954 1 119 . LEU . 52954 1 120 . LEU . 52954 1 121 . THR . 52954 1 122 . ASP . 52954 1 123 . ALA . 52954 1 124 . ALA . 52954 1 125 . ALA . 52954 1 126 . ASN . 52954 1 127 . ALA . 52954 1 128 . LEU . 52954 1 129 . LEU . 52954 1 130 . LYS . 52954 1 131 . THR . 52954 1 132 . LEU . 52954 1 133 . GLU . 52954 1 134 . GLU . 52954 1 135 . PRO . 52954 1 136 . PRO . 52954 1 137 . ALA . 52954 1 138 . GLU . 52954 1 139 . THR . 52954 1 140 . TRP . 52954 1 141 . PHE . 52954 1 142 . PHE . 52954 1 143 . LEU . 52954 1 144 . ALA . 52954 1 145 . THR . 52954 1 146 . ARG . 52954 1 147 . GLU . 52954 1 148 . PRO . 52954 1 149 . GLU . 52954 1 150 . ARG . 52954 1 151 . LEU . 52954 1 152 . LEU . 52954 1 153 . ALA . 52954 1 154 . THR . 52954 1 155 . LEU . 52954 1 156 . ARG . 52954 1 157 . SER . 52954 1 158 . ARG . 52954 1 159 . CYS . 52954 1 160 . ARG . 52954 1 161 . LEU . 52954 1 162 . HIS . 52954 1 163 . TYR . 52954 1 164 . LEU . 52954 1 165 . ALA . 52954 1 166 . PRO . 52954 1 167 . PRO . 52954 1 168 . PRO . 52954 1 169 . GLU . 52954 1 170 . GLN . 52954 1 171 . TYR . 52954 1 172 . ALA . 52954 1 173 . VAL . 52954 1 174 . THR . 52954 1 175 . TRP . 52954 1 176 . LEU . 52954 1 177 . SER . 52954 1 178 . ARG . 52954 1 179 . GLU . 52954 1 180 . VAL . 52954 1 181 . THR . 52954 1 182 . MET . 52954 1 183 . SER . 52954 1 184 . GLN . 52954 1 185 . ASP . 52954 1 186 . ALA . 52954 1 187 . LEU . 52954 1 188 . LEU . 52954 1 189 . ALA . 52954 1 190 . ALA . 52954 1 191 . LEU . 52954 1 192 . ARG . 52954 1 193 . LEU . 52954 1 194 . SER . 52954 1 195 . ALA . 52954 1 196 . GLY . 52954 1 197 . SER . 52954 1 198 . PRO . 52954 1 199 . GLY . 52954 1 200 . ALA . 52954 1 201 . ALA . 52954 1 202 . LEU . 52954 1 203 . ALA . 52954 1 204 . LEU . 52954 1 205 . PHE . 52954 1 206 . GLN . 52954 1 207 . GLY . 52954 1 208 . ASP . 52954 1 209 . ASN . 52954 1 210 . TRP . 52954 1 211 . GLN . 52954 1 212 . ALA . 52954 1 213 . ARG . 52954 1 214 . GLU . 52954 1 215 . THR . 52954 1 216 . LEU . 52954 1 217 . CYS . 52954 1 218 . GLN . 52954 1 219 . ALA . 52954 1 220 . LEU . 52954 1 221 . ALA . 52954 1 222 . TYR . 52954 1 223 . SER . 52954 1 224 . VAL . 52954 1 225 . PRO . 52954 1 226 . SER . 52954 1 227 . GLY . 52954 1 228 . ASP . 52954 1 229 . TRP . 52954 1 230 . TYR . 52954 1 231 . SER . 52954 1 232 . LEU . 52954 1 233 . LEU . 52954 1 234 . ALA . 52954 1 235 . ALA . 52954 1 236 . LEU . 52954 1 237 . ASN . 52954 1 238 . HIS . 52954 1 239 . GLU . 52954 1 240 . GLN . 52954 1 241 . ALA . 52954 1 242 . PRO . 52954 1 243 . ALA . 52954 1 244 . ARG . 52954 1 245 . LEU . 52954 1 246 . HIS . 52954 1 247 . TRP . 52954 1 248 . LEU . 52954 1 249 . ALA . 52954 1 250 . THR . 52954 1 251 . LEU . 52954 1 252 . LEU . 52954 1 253 . MET . 52954 1 254 . ASP . 52954 1 255 . ALA . 52954 1 256 . LEU . 52954 1 257 . LYS . 52954 1 258 . ARG . 52954 1 259 . HIS . 52954 1 260 . HIS . 52954 1 261 . GLY . 52954 1 262 . ALA . 52954 1 263 . ALA . 52954 1 264 . GLN . 52954 1 265 . VAL . 52954 1 266 . THR . 52954 1 267 . ASN . 52954 1 268 . VAL . 52954 1 269 . ASP . 52954 1 270 . VAL . 52954 1 271 . PRO . 52954 1 272 . GLY . 52954 1 273 . LEU . 52954 1 274 . VAL . 52954 1 275 . ALA . 52954 1 276 . GLU . 52954 1 277 . LEU . 52954 1 278 . ALA . 52954 1 279 . ASN . 52954 1 280 . HIS . 52954 1 281 . LEU . 52954 1 282 . SER . 52954 1 283 . PRO . 52954 1 284 . SER . 52954 1 285 . ARG . 52954 1 286 . LEU . 52954 1 287 . GLN . 52954 1 288 . ALA . 52954 1 289 . ILE . 52954 1 290 . LEU . 52954 1 291 . GLY . 52954 1 292 . ASP . 52954 1 293 . VAL . 52954 1 294 . CYS . 52954 1 295 . HIS . 52954 1 296 . ILE . 52954 1 297 . ARG . 52954 1 298 . GLU . 52954 1 299 . GLN . 52954 1 300 . LEU . 52954 1 301 . MET . 52954 1 302 . SER . 52954 1 303 . VAL . 52954 1 304 . THR . 52954 1 305 . GLY . 52954 1 306 . ILE . 52954 1 307 . ASN . 52954 1 308 . ARG . 52954 1 309 . GLU . 52954 1 310 . LEU . 52954 1 311 . LEU . 52954 1 312 . ILE . 52954 1 313 . THR . 52954 1 314 . ASP . 52954 1 315 . LEU . 52954 1 316 . LEU . 52954 1 317 . LEU . 52954 1 318 . ARG . 52954 1 319 . ILE . 52954 1 320 . GLU . 52954 1 321 . HIS . 52954 1 322 . TYR . 52954 1 323 . LEU . 52954 1 324 . GLN . 52954 1 325 . PRO . 52954 1 326 . GLY . 52954 1 327 . VAL . 52954 1 328 . VAL . 52954 1 329 . LEU . 52954 1 330 . PRO . 52954 1 331 . VAL . 52954 1 332 . PRO . 52954 1 333 . HIS . 52954 1 334 . LEU . 52954 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 52954 1 . ARG 2 2 52954 1 . TRP 3 3 52954 1 . TYR 4 4 52954 1 . PRO 5 5 52954 1 . TRP 6 6 52954 1 . LEU 7 7 52954 1 . ARG 8 8 52954 1 . PRO 9 9 52954 1 . ASP 10 10 52954 1 . PHE 11 11 52954 1 . GLU 12 12 52954 1 . LYS 13 13 52954 1 . LEU 14 14 52954 1 . VAL 15 15 52954 1 . ALA 16 16 52954 1 . SER 17 17 52954 1 . TYR 18 18 52954 1 . GLN 19 19 52954 1 . ALA 20 20 52954 1 . GLY 21 21 52954 1 . ARG 22 22 52954 1 . GLY 23 23 52954 1 . HIS 24 24 52954 1 . HIS 25 25 52954 1 . ALA 26 26 52954 1 . LEU 27 27 52954 1 . LEU 28 28 52954 1 . ILE 29 29 52954 1 . GLN 30 30 52954 1 . ALA 31 31 52954 1 . LEU 32 32 52954 1 . PRO 33 33 52954 1 . GLY 34 34 52954 1 . MET 35 35 52954 1 . GLY 36 36 52954 1 . ASP 37 37 52954 1 . ASP 38 38 52954 1 . ALA 39 39 52954 1 . LEU 40 40 52954 1 . ILE 41 41 52954 1 . TYR 42 42 52954 1 . ALA 43 43 52954 1 . LEU 44 44 52954 1 . SER 45 45 52954 1 . ARG 46 46 52954 1 . TYR 47 47 52954 1 . LEU 48 48 52954 1 . LEU 49 49 52954 1 . CYS 50 50 52954 1 . GLN 51 51 52954 1 . GLN 52 52 52954 1 . PRO 53 53 52954 1 . GLN 54 54 52954 1 . GLY 55 55 52954 1 . HIS 56 56 52954 1 . LYS 57 57 52954 1 . SER 58 58 52954 1 . CYS 59 59 52954 1 . GLY 60 60 52954 1 . HIS 61 61 52954 1 . CYS 62 62 52954 1 . ARG 63 63 52954 1 . GLY 64 64 52954 1 . CYS 65 65 52954 1 . GLN 66 66 52954 1 . LEU 67 67 52954 1 . MET 68 68 52954 1 . GLN 69 69 52954 1 . ALA 70 70 52954 1 . GLY 71 71 52954 1 . THR 72 72 52954 1 . HIS 73 73 52954 1 . PRO 74 74 52954 1 . ASP 75 75 52954 1 . TYR 76 76 52954 1 . TYR 77 77 52954 1 . THR 78 78 52954 1 . LEU 79 79 52954 1 . ALA 80 80 52954 1 . PRO 81 81 52954 1 . GLU 82 82 52954 1 . LYS 83 83 52954 1 . GLY 84 84 52954 1 . LYS 85 85 52954 1 . ASN 86 86 52954 1 . THR 87 87 52954 1 . LEU 88 88 52954 1 . GLY 89 89 52954 1 . VAL 90 90 52954 1 . ASP 91 91 52954 1 . ALA 92 92 52954 1 . VAL 93 93 52954 1 . ARG 94 94 52954 1 . GLU 95 95 52954 1 . VAL 96 96 52954 1 . THR 97 97 52954 1 . GLU 98 98 52954 1 . LYS 99 99 52954 1 . LEU 100 100 52954 1 . ASN 101 101 52954 1 . GLU 102 102 52954 1 . HIS 103 103 52954 1 . ALA 104 104 52954 1 . ARG 105 105 52954 1 . LEU 106 106 52954 1 . GLY 107 107 52954 1 . GLY 108 108 52954 1 . ALA 109 109 52954 1 . LYS 110 110 52954 1 . VAL 111 111 52954 1 . VAL 112 112 52954 1 . TRP 113 113 52954 1 . VAL 114 114 52954 1 . THR 115 115 52954 1 . ASP 116 116 52954 1 . ALA 117 117 52954 1 . ALA 118 118 52954 1 . LEU 119 119 52954 1 . LEU 120 120 52954 1 . THR 121 121 52954 1 . ASP 122 122 52954 1 . ALA 123 123 52954 1 . ALA 124 124 52954 1 . ALA 125 125 52954 1 . ASN 126 126 52954 1 . ALA 127 127 52954 1 . LEU 128 128 52954 1 . LEU 129 129 52954 1 . LYS 130 130 52954 1 . THR 131 131 52954 1 . LEU 132 132 52954 1 . GLU 133 133 52954 1 . GLU 134 134 52954 1 . PRO 135 135 52954 1 . PRO 136 136 52954 1 . ALA 137 137 52954 1 . GLU 138 138 52954 1 . THR 139 139 52954 1 . TRP 140 140 52954 1 . PHE 141 141 52954 1 . PHE 142 142 52954 1 . LEU 143 143 52954 1 . ALA 144 144 52954 1 . THR 145 145 52954 1 . ARG 146 146 52954 1 . GLU 147 147 52954 1 . PRO 148 148 52954 1 . GLU 149 149 52954 1 . ARG 150 150 52954 1 . LEU 151 151 52954 1 . LEU 152 152 52954 1 . ALA 153 153 52954 1 . THR 154 154 52954 1 . LEU 155 155 52954 1 . ARG 156 156 52954 1 . SER 157 157 52954 1 . ARG 158 158 52954 1 . CYS 159 159 52954 1 . ARG 160 160 52954 1 . LEU 161 161 52954 1 . HIS 162 162 52954 1 . TYR 163 163 52954 1 . LEU 164 164 52954 1 . ALA 165 165 52954 1 . PRO 166 166 52954 1 . PRO 167 167 52954 1 . PRO 168 168 52954 1 . GLU 169 169 52954 1 . GLN 170 170 52954 1 . TYR 171 171 52954 1 . ALA 172 172 52954 1 . VAL 173 173 52954 1 . THR 174 174 52954 1 . TRP 175 175 52954 1 . LEU 176 176 52954 1 . SER 177 177 52954 1 . ARG 178 178 52954 1 . GLU 179 179 52954 1 . VAL 180 180 52954 1 . THR 181 181 52954 1 . MET 182 182 52954 1 . SER 183 183 52954 1 . GLN 184 184 52954 1 . ASP 185 185 52954 1 . ALA 186 186 52954 1 . LEU 187 187 52954 1 . LEU 188 188 52954 1 . ALA 189 189 52954 1 . ALA 190 190 52954 1 . LEU 191 191 52954 1 . ARG 192 192 52954 1 . LEU 193 193 52954 1 . SER 194 194 52954 1 . ALA 195 195 52954 1 . GLY 196 196 52954 1 . SER 197 197 52954 1 . PRO 198 198 52954 1 . GLY 199 199 52954 1 . ALA 200 200 52954 1 . ALA 201 201 52954 1 . LEU 202 202 52954 1 . ALA 203 203 52954 1 . LEU 204 204 52954 1 . PHE 205 205 52954 1 . GLN 206 206 52954 1 . GLY 207 207 52954 1 . ASP 208 208 52954 1 . ASN 209 209 52954 1 . TRP 210 210 52954 1 . GLN 211 211 52954 1 . ALA 212 212 52954 1 . ARG 213 213 52954 1 . GLU 214 214 52954 1 . THR 215 215 52954 1 . LEU 216 216 52954 1 . CYS 217 217 52954 1 . GLN 218 218 52954 1 . ALA 219 219 52954 1 . LEU 220 220 52954 1 . ALA 221 221 52954 1 . TYR 222 222 52954 1 . SER 223 223 52954 1 . VAL 224 224 52954 1 . PRO 225 225 52954 1 . SER 226 226 52954 1 . GLY 227 227 52954 1 . ASP 228 228 52954 1 . TRP 229 229 52954 1 . TYR 230 230 52954 1 . SER 231 231 52954 1 . LEU 232 232 52954 1 . LEU 233 233 52954 1 . ALA 234 234 52954 1 . ALA 235 235 52954 1 . LEU 236 236 52954 1 . ASN 237 237 52954 1 . HIS 238 238 52954 1 . GLU 239 239 52954 1 . GLN 240 240 52954 1 . ALA 241 241 52954 1 . PRO 242 242 52954 1 . ALA 243 243 52954 1 . ARG 244 244 52954 1 . LEU 245 245 52954 1 . HIS 246 246 52954 1 . TRP 247 247 52954 1 . LEU 248 248 52954 1 . ALA 249 249 52954 1 . THR 250 250 52954 1 . LEU 251 251 52954 1 . LEU 252 252 52954 1 . MET 253 253 52954 1 . ASP 254 254 52954 1 . ALA 255 255 52954 1 . LEU 256 256 52954 1 . LYS 257 257 52954 1 . ARG 258 258 52954 1 . HIS 259 259 52954 1 . HIS 260 260 52954 1 . GLY 261 261 52954 1 . ALA 262 262 52954 1 . ALA 263 263 52954 1 . GLN 264 264 52954 1 . VAL 265 265 52954 1 . THR 266 266 52954 1 . ASN 267 267 52954 1 . VAL 268 268 52954 1 . ASP 269 269 52954 1 . VAL 270 270 52954 1 . PRO 271 271 52954 1 . GLY 272 272 52954 1 . LEU 273 273 52954 1 . VAL 274 274 52954 1 . ALA 275 275 52954 1 . GLU 276 276 52954 1 . LEU 277 277 52954 1 . ALA 278 278 52954 1 . ASN 279 279 52954 1 . HIS 280 280 52954 1 . LEU 281 281 52954 1 . SER 282 282 52954 1 . PRO 283 283 52954 1 . SER 284 284 52954 1 . ARG 285 285 52954 1 . LEU 286 286 52954 1 . GLN 287 287 52954 1 . ALA 288 288 52954 1 . ILE 289 289 52954 1 . LEU 290 290 52954 1 . GLY 291 291 52954 1 . ASP 292 292 52954 1 . VAL 293 293 52954 1 . CYS 294 294 52954 1 . HIS 295 295 52954 1 . ILE 296 296 52954 1 . ARG 297 297 52954 1 . GLU 298 298 52954 1 . GLN 299 299 52954 1 . LEU 300 300 52954 1 . MET 301 301 52954 1 . SER 302 302 52954 1 . VAL 303 303 52954 1 . THR 304 304 52954 1 . GLY 305 305 52954 1 . ILE 306 306 52954 1 . ASN 307 307 52954 1 . ARG 308 308 52954 1 . GLU 309 309 52954 1 . LEU 310 310 52954 1 . LEU 311 311 52954 1 . ILE 312 312 52954 1 . THR 313 313 52954 1 . ASP 314 314 52954 1 . LEU 315 315 52954 1 . LEU 316 316 52954 1 . LEU 317 317 52954 1 . ARG 318 318 52954 1 . ILE 319 319 52954 1 . GLU 320 320 52954 1 . HIS 321 321 52954 1 . TYR 322 322 52954 1 . LEU 323 323 52954 1 . GLN 324 324 52954 1 . PRO 325 325 52954 1 . GLY 326 326 52954 1 . VAL 327 327 52954 1 . VAL 328 328 52954 1 . LEU 329 329 52954 1 . PRO 330 330 52954 1 . VAL 331 331 52954 1 . PRO 332 332 52954 1 . HIS 333 333 52954 1 . LEU 334 334 52954 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 52954 _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 . . . . . . . . . . . . . 52954 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 52954 _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 . . pETDuet . . . 52954 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52954 _Sample.ID 1 _Sample.Name 'The Delta Prime Subunit in the Assembled Clamp Loader sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 Delta Prime Subunit in the Assembled Clamp Loader' '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 0.2 . . mM . . . . 52954 1 2 Na2HPO4 'natural abundance' . . . . . . 50 . . mM . . . . 52954 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52954 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 52954 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 52954 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'The Delta Prime Subunit in the Assembled Clamp Loader conditions' _Sample_condition_list.Details '50 mM Na2HPO4, 100 mM NaCl, 10 mM DTT' 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 'ionic strength' 100 . mM 52954 1 pH 7 . pH 52954 1 pressure 1 . atm 52954 1 temperature 313 . K 52954 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52954 _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' . 52954 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 52954 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52954 _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 yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52954 1 2 '4D13CH3 HMQC-NOESY-HMQC' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52954 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 52954 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'The Delta Prime Subunit in the Assembled Clamp Loader references' _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 na na . . . . ppm 0 na indirect . . . . . . 52954 1 H 1 TMS protons . . . . ppm 0 na direct 1 . . . . . 52954 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 52954 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The Delta Prime Subunit in the Assembled Clamp Loader Assignments' _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' . . . 52954 1 2 '4D13CH3 HMQC-NOESY-HMQC' . . . 52954 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 . . 52954 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 14 14 LEU HD21 H 1 0.663 0.0 . . . . . . . 14 LEU HD2 . 52954 1 2 . 1 . 1 14 14 LEU HD22 H 1 0.663 0.0 . . . . . . . 14 LEU HD2 . 52954 1 3 . 1 . 1 14 14 LEU HD23 H 1 0.663 0.0 . . . . . . . 14 LEU HD2 . 52954 1 4 . 1 . 1 14 14 LEU CD2 C 13 22.362 0.0 . . . . . . . 14 LEU CD2 . 52954 1 5 . 1 . 1 15 15 VAL HG11 H 1 -0.107 0.0 . . . . . . . 15 VAL HG1 . 52954 1 6 . 1 . 1 15 15 VAL HG12 H 1 -0.107 0.0 . . . . . . . 15 VAL HG1 . 52954 1 7 . 1 . 1 15 15 VAL HG13 H 1 -0.107 0.0 . . . . . . . 15 VAL HG1 . 52954 1 8 . 1 . 1 15 15 VAL HG21 H 1 -0.175 0.0 . . . . . . . 15 VAL HG2 . 52954 1 9 . 1 . 1 15 15 VAL HG22 H 1 -0.175 0.0 . . . . . . . 15 VAL HG2 . 52954 1 10 . 1 . 1 15 15 VAL HG23 H 1 -0.175 0.0 . . . . . . . 15 VAL HG2 . 52954 1 11 . 1 . 1 15 15 VAL CG1 C 13 20.211 0.0 . . . . . . . 15 VAL CG1 . 52954 1 12 . 1 . 1 15 15 VAL CG2 C 13 22.316 0.0 . . . . . . . 15 VAL CG2 . 52954 1 13 . 1 . 1 28 28 LEU HD11 H 1 0.656 0.0 . . . . . . . 28 LEU HD1 . 52954 1 14 . 1 . 1 28 28 LEU HD12 H 1 0.656 0.0 . . . . . . . 28 LEU HD1 . 52954 1 15 . 1 . 1 28 28 LEU HD13 H 1 0.656 0.0 . . . . . . . 28 LEU HD1 . 52954 1 16 . 1 . 1 28 28 LEU CD1 C 13 26.253 0.0 . . . . . . . 28 LEU CD1 . 52954 1 17 . 1 . 1 29 29 ILE HD11 H 1 0.872 0.0 . . . . . . . 29 ILE HD1 . 52954 1 18 . 1 . 1 29 29 ILE HD12 H 1 0.872 0.0 . . . . . . . 29 ILE HD1 . 52954 1 19 . 1 . 1 29 29 ILE HD13 H 1 0.872 0.0 . . . . . . . 29 ILE HD1 . 52954 1 20 . 1 . 1 29 29 ILE CD1 C 13 12.894 0.0 . . . . . . . 29 ILE CD1 . 52954 1 21 . 1 . 1 40 40 LEU HD11 H 1 0.772 0.0 . . . . . . . 40 LEU HD1 . 52954 1 22 . 1 . 1 40 40 LEU HD12 H 1 0.772 0.0 . . . . . . . 40 LEU HD1 . 52954 1 23 . 1 . 1 40 40 LEU HD13 H 1 0.772 0.0 . . . . . . . 40 LEU HD1 . 52954 1 24 . 1 . 1 40 40 LEU CD1 C 13 26.52 0.0 . . . . . . . 40 LEU CD1 . 52954 1 25 . 1 . 1 41 41 ILE HD11 H 1 0.641 0.0 . . . . . . . 41 ILE HD1 . 52954 1 26 . 1 . 1 41 41 ILE HD12 H 1 0.641 0.0 . . . . . . . 41 ILE HD1 . 52954 1 27 . 1 . 1 41 41 ILE HD13 H 1 0.641 0.0 . . . . . . . 41 ILE HD1 . 52954 1 28 . 1 . 1 41 41 ILE CD1 C 13 12.722 0.0 . . . . . . . 41 ILE CD1 . 52954 1 29 . 1 . 1 44 44 LEU HD11 H 1 0.572 0.0 . . . . . . . 44 LEU HD1 . 52954 1 30 . 1 . 1 44 44 LEU HD12 H 1 0.572 0.0 . . . . . . . 44 LEU HD1 . 52954 1 31 . 1 . 1 44 44 LEU HD13 H 1 0.572 0.0 . . . . . . . 44 LEU HD1 . 52954 1 32 . 1 . 1 44 44 LEU HD21 H 1 0.611 0.0 . . . . . . . 44 LEU HD2 . 52954 1 33 . 1 . 1 44 44 LEU HD22 H 1 0.611 0.0 . . . . . . . 44 LEU HD2 . 52954 1 34 . 1 . 1 44 44 LEU HD23 H 1 0.611 0.0 . . . . . . . 44 LEU HD2 . 52954 1 35 . 1 . 1 44 44 LEU CD1 C 13 23.6 0.0 . . . . . . . 44 LEU CD1 . 52954 1 36 . 1 . 1 44 44 LEU CD2 C 13 25.737 0.0 . . . . . . . 44 LEU CD2 . 52954 1 37 . 1 . 1 48 48 LEU HD11 H 1 0.136 0.0 . . . . . . . 48 LEU HD1 . 52954 1 38 . 1 . 1 48 48 LEU HD12 H 1 0.136 0.0 . . . . . . . 48 LEU HD1 . 52954 1 39 . 1 . 1 48 48 LEU HD13 H 1 0.136 0.0 . . . . . . . 48 LEU HD1 . 52954 1 40 . 1 . 1 48 48 LEU HD21 H 1 -0.177 0.0 . . . . . . . 48 LEU HD2 . 52954 1 41 . 1 . 1 48 48 LEU HD22 H 1 -0.177 0.0 . . . . . . . 48 LEU HD2 . 52954 1 42 . 1 . 1 48 48 LEU HD23 H 1 -0.177 0.0 . . . . . . . 48 LEU HD2 . 52954 1 43 . 1 . 1 48 48 LEU CD1 C 13 25.083 0.0 . . . . . . . 48 LEU CD1 . 52954 1 44 . 1 . 1 48 48 LEU CD2 C 13 20.757 0.0 . . . . . . . 48 LEU CD2 . 52954 1 45 . 1 . 1 49 49 LEU HD11 H 1 0.444 0.0 . . . . . . . 49 LEU HD1 . 52954 1 46 . 1 . 1 49 49 LEU HD12 H 1 0.444 0.0 . . . . . . . 49 LEU HD1 . 52954 1 47 . 1 . 1 49 49 LEU HD13 H 1 0.444 0.0 . . . . . . . 49 LEU HD1 . 52954 1 48 . 1 . 1 49 49 LEU HD21 H 1 0.182 0.0 . . . . . . . 49 LEU HD2 . 52954 1 49 . 1 . 1 49 49 LEU HD22 H 1 0.182 0.0 . . . . . . . 49 LEU HD2 . 52954 1 50 . 1 . 1 49 49 LEU HD23 H 1 0.182 0.0 . . . . . . . 49 LEU HD2 . 52954 1 51 . 1 . 1 49 49 LEU CD1 C 13 23.011 0.0 . . . . . . . 49 LEU CD1 . 52954 1 52 . 1 . 1 49 49 LEU CD2 C 13 25.853 0.0 . . . . . . . 49 LEU CD2 . 52954 1 53 . 1 . 1 67 67 LEU HD11 H 1 0.556 0.0 . . . . . . . 67 LEU HD1 . 52954 1 54 . 1 . 1 67 67 LEU HD12 H 1 0.556 0.0 . . . . . . . 67 LEU HD1 . 52954 1 55 . 1 . 1 67 67 LEU HD13 H 1 0.556 0.0 . . . . . . . 67 LEU HD1 . 52954 1 56 . 1 . 1 67 67 LEU HD21 H 1 0.668 0.0 . . . . . . . 67 LEU HD2 . 52954 1 57 . 1 . 1 67 67 LEU HD22 H 1 0.668 0.0 . . . . . . . 67 LEU HD2 . 52954 1 58 . 1 . 1 67 67 LEU HD23 H 1 0.668 0.0 . . . . . . . 67 LEU HD2 . 52954 1 59 . 1 . 1 67 67 LEU CD1 C 13 26.609 0.0 . . . . . . . 67 LEU CD1 . 52954 1 60 . 1 . 1 67 67 LEU CD2 C 13 21.531 0.0 . . . . . . . 67 LEU CD2 . 52954 1 61 . 1 . 1 79 79 LEU HD11 H 1 0.854 0.0 . . . . . . . 79 LEU HD1 . 52954 1 62 . 1 . 1 79 79 LEU HD12 H 1 0.854 0.0 . . . . . . . 79 LEU HD1 . 52954 1 63 . 1 . 1 79 79 LEU HD13 H 1 0.854 0.0 . . . . . . . 79 LEU HD1 . 52954 1 64 . 1 . 1 79 79 LEU CD1 C 13 25.584 0.0 . . . . . . . 79 LEU CD1 . 52954 1 65 . 1 . 1 88 88 LEU HD11 H 1 0.648 0.0 . . . . . . . 88 LEU HD1 . 52954 1 66 . 1 . 1 88 88 LEU HD12 H 1 0.648 0.0 . . . . . . . 88 LEU HD1 . 52954 1 67 . 1 . 1 88 88 LEU HD13 H 1 0.648 0.0 . . . . . . . 88 LEU HD1 . 52954 1 68 . 1 . 1 88 88 LEU HD21 H 1 0.734 0.0 . . . . . . . 88 LEU HD2 . 52954 1 69 . 1 . 1 88 88 LEU HD22 H 1 0.734 0.0 . . . . . . . 88 LEU HD2 . 52954 1 70 . 1 . 1 88 88 LEU HD23 H 1 0.734 0.0 . . . . . . . 88 LEU HD2 . 52954 1 71 . 1 . 1 88 88 LEU CD1 C 13 25.419 0.0 . . . . . . . 88 LEU CD1 . 52954 1 72 . 1 . 1 88 88 LEU CD2 C 13 24.958 0.0 . . . . . . . 88 LEU CD2 . 52954 1 73 . 1 . 1 90 90 VAL HG11 H 1 0.99 0.0 . . . . . . . 90 VAL HG1 . 52954 1 74 . 1 . 1 90 90 VAL HG12 H 1 0.99 0.0 . . . . . . . 90 VAL HG1 . 52954 1 75 . 1 . 1 90 90 VAL HG13 H 1 0.99 0.0 . . . . . . . 90 VAL HG1 . 52954 1 76 . 1 . 1 90 90 VAL CG1 C 13 19.541 0.0 . . . . . . . 90 VAL CG1 . 52954 1 77 . 1 . 1 93 93 VAL HG11 H 1 0.989 0.0 . . . . . . . 93 VAL HG1 . 52954 1 78 . 1 . 1 93 93 VAL HG12 H 1 0.989 0.0 . . . . . . . 93 VAL HG1 . 52954 1 79 . 1 . 1 93 93 VAL HG13 H 1 0.989 0.0 . . . . . . . 93 VAL HG1 . 52954 1 80 . 1 . 1 93 93 VAL HG21 H 1 0.883 0.0 . . . . . . . 93 VAL HG2 . 52954 1 81 . 1 . 1 93 93 VAL HG22 H 1 0.883 0.0 . . . . . . . 93 VAL HG2 . 52954 1 82 . 1 . 1 93 93 VAL HG23 H 1 0.883 0.0 . . . . . . . 93 VAL HG2 . 52954 1 83 . 1 . 1 93 93 VAL CG1 C 13 23.166 0.0 . . . . . . . 93 VAL CG1 . 52954 1 84 . 1 . 1 93 93 VAL CG2 C 13 21.658 0.0 . . . . . . . 93 VAL CG2 . 52954 1 85 . 1 . 1 96 96 VAL HG11 H 1 0.521 0.0 . . . . . . . 96 VAL HG1 . 52954 1 86 . 1 . 1 96 96 VAL HG12 H 1 0.521 0.0 . . . . . . . 96 VAL HG1 . 52954 1 87 . 1 . 1 96 96 VAL HG13 H 1 0.521 0.0 . . . . . . . 96 VAL HG1 . 52954 1 88 . 1 . 1 96 96 VAL HG21 H 1 1.081 0.0 . . . . . . . 96 VAL HG2 . 52954 1 89 . 1 . 1 96 96 VAL HG22 H 1 1.081 0.0 . . . . . . . 96 VAL HG2 . 52954 1 90 . 1 . 1 96 96 VAL HG23 H 1 1.081 0.0 . . . . . . . 96 VAL HG2 . 52954 1 91 . 1 . 1 96 96 VAL CG1 C 13 20.411 0.0 . . . . . . . 96 VAL CG1 . 52954 1 92 . 1 . 1 96 96 VAL CG2 C 13 23.352 0.0 . . . . . . . 96 VAL CG2 . 52954 1 93 . 1 . 1 100 100 LEU HD11 H 1 0.265 0.0 . . . . . . . 100 LEU HD1 . 52954 1 94 . 1 . 1 100 100 LEU HD12 H 1 0.265 0.0 . . . . . . . 100 LEU HD1 . 52954 1 95 . 1 . 1 100 100 LEU HD13 H 1 0.265 0.0 . . . . . . . 100 LEU HD1 . 52954 1 96 . 1 . 1 100 100 LEU HD21 H 1 0.637 0.0 . . . . . . . 100 LEU HD2 . 52954 1 97 . 1 . 1 100 100 LEU HD22 H 1 0.637 0.0 . . . . . . . 100 LEU HD2 . 52954 1 98 . 1 . 1 100 100 LEU HD23 H 1 0.637 0.0 . . . . . . . 100 LEU HD2 . 52954 1 99 . 1 . 1 100 100 LEU CD1 C 13 21.45 0.0 . . . . . . . 100 LEU CD1 . 52954 1 100 . 1 . 1 100 100 LEU CD2 C 13 26.196 0.0 . . . . . . . 100 LEU CD2 . 52954 1 101 . 1 . 1 106 106 LEU HD11 H 1 0.599 0.0 . . . . . . . 106 LEU HD1 . 52954 1 102 . 1 . 1 106 106 LEU HD12 H 1 0.599 0.0 . . . . . . . 106 LEU HD1 . 52954 1 103 . 1 . 1 106 106 LEU HD13 H 1 0.599 0.0 . . . . . . . 106 LEU HD1 . 52954 1 104 . 1 . 1 106 106 LEU HD21 H 1 0.577 0.0 . . . . . . . 106 LEU HD2 . 52954 1 105 . 1 . 1 106 106 LEU HD22 H 1 0.577 0.0 . . . . . . . 106 LEU HD2 . 52954 1 106 . 1 . 1 106 106 LEU HD23 H 1 0.577 0.0 . . . . . . . 106 LEU HD2 . 52954 1 107 . 1 . 1 106 106 LEU CD1 C 13 24.132 0.0 . . . . . . . 106 LEU CD1 . 52954 1 108 . 1 . 1 106 106 LEU CD2 C 13 23.929 0.0 . . . . . . . 106 LEU CD2 . 52954 1 109 . 1 . 1 111 111 VAL HG11 H 1 1.201 0.0 . . . . . . . 111 VAL HG1 . 52954 1 110 . 1 . 1 111 111 VAL HG12 H 1 1.201 0.0 . . . . . . . 111 VAL HG1 . 52954 1 111 . 1 . 1 111 111 VAL HG13 H 1 1.201 0.0 . . . . . . . 111 VAL HG1 . 52954 1 112 . 1 . 1 111 111 VAL HG21 H 1 1.007 0.0 . . . . . . . 111 VAL HG2 . 52954 1 113 . 1 . 1 111 111 VAL HG22 H 1 1.007 0.0 . . . . . . . 111 VAL HG2 . 52954 1 114 . 1 . 1 111 111 VAL HG23 H 1 1.007 0.0 . . . . . . . 111 VAL HG2 . 52954 1 115 . 1 . 1 111 111 VAL CG1 C 13 21.51 0.0 . . . . . . . 111 VAL CG1 . 52954 1 116 . 1 . 1 111 111 VAL CG2 C 13 22.142 0.0 . . . . . . . 111 VAL CG2 . 52954 1 117 . 1 . 1 112 112 VAL HG11 H 1 0.424 0.0 . . . . . . . 112 VAL HG1 . 52954 1 118 . 1 . 1 112 112 VAL HG12 H 1 0.424 0.0 . . . . . . . 112 VAL HG1 . 52954 1 119 . 1 . 1 112 112 VAL HG13 H 1 0.424 0.0 . . . . . . . 112 VAL HG1 . 52954 1 120 . 1 . 1 112 112 VAL HG21 H 1 0.685 0.0 . . . . . . . 112 VAL HG2 . 52954 1 121 . 1 . 1 112 112 VAL HG22 H 1 0.685 0.0 . . . . . . . 112 VAL HG2 . 52954 1 122 . 1 . 1 112 112 VAL HG23 H 1 0.685 0.0 . . . . . . . 112 VAL HG2 . 52954 1 123 . 1 . 1 112 112 VAL CG1 C 13 21.458 0.0 . . . . . . . 112 VAL CG1 . 52954 1 124 . 1 . 1 112 112 VAL CG2 C 13 20.829 0.0 . . . . . . . 112 VAL CG2 . 52954 1 125 . 1 . 1 114 114 VAL HG11 H 1 1.07 0.0 . . . . . . . 114 VAL HG1 . 52954 1 126 . 1 . 1 114 114 VAL HG12 H 1 1.07 0.0 . . . . . . . 114 VAL HG1 . 52954 1 127 . 1 . 1 114 114 VAL HG13 H 1 1.07 0.0 . . . . . . . 114 VAL HG1 . 52954 1 128 . 1 . 1 114 114 VAL CG1 C 13 20.311 0.0 . . . . . . . 114 VAL CG1 . 52954 1 129 . 1 . 1 119 119 LEU HD11 H 1 0.812 0.0 . . . . . . . 119 LEU HD1 . 52954 1 130 . 1 . 1 119 119 LEU HD12 H 1 0.812 0.0 . . . . . . . 119 LEU HD1 . 52954 1 131 . 1 . 1 119 119 LEU HD13 H 1 0.812 0.0 . . . . . . . 119 LEU HD1 . 52954 1 132 . 1 . 1 119 119 LEU CD1 C 13 25.736 0.0 . . . . . . . 119 LEU CD1 . 52954 1 133 . 1 . 1 120 120 LEU HD11 H 1 0.734 0.0 . . . . . . . 120 LEU HD1 . 52954 1 134 . 1 . 1 120 120 LEU HD12 H 1 0.734 0.0 . . . . . . . 120 LEU HD1 . 52954 1 135 . 1 . 1 120 120 LEU HD13 H 1 0.734 0.0 . . . . . . . 120 LEU HD1 . 52954 1 136 . 1 . 1 120 120 LEU HD21 H 1 0.941 0.0 . . . . . . . 120 LEU HD2 . 52954 1 137 . 1 . 1 120 120 LEU HD22 H 1 0.941 0.0 . . . . . . . 120 LEU HD2 . 52954 1 138 . 1 . 1 120 120 LEU HD23 H 1 0.941 0.0 . . . . . . . 120 LEU HD2 . 52954 1 139 . 1 . 1 120 120 LEU CD1 C 13 24.797 0.0 . . . . . . . 120 LEU CD1 . 52954 1 140 . 1 . 1 120 120 LEU CD2 C 13 26.293 0.0 . . . . . . . 120 LEU CD2 . 52954 1 141 . 1 . 1 128 128 LEU HD11 H 1 0.687 0.0 . . . . . . . 128 LEU HD1 . 52954 1 142 . 1 . 1 128 128 LEU HD12 H 1 0.687 0.0 . . . . . . . 128 LEU HD1 . 52954 1 143 . 1 . 1 128 128 LEU HD13 H 1 0.687 0.0 . . . . . . . 128 LEU HD1 . 52954 1 144 . 1 . 1 128 128 LEU HD21 H 1 0.739 0.0 . . . . . . . 128 LEU HD2 . 52954 1 145 . 1 . 1 128 128 LEU HD22 H 1 0.739 0.0 . . . . . . . 128 LEU HD2 . 52954 1 146 . 1 . 1 128 128 LEU HD23 H 1 0.739 0.0 . . . . . . . 128 LEU HD2 . 52954 1 147 . 1 . 1 128 128 LEU CD1 C 13 22.78 0.0 . . . . . . . 128 LEU CD1 . 52954 1 148 . 1 . 1 128 128 LEU CD2 C 13 26.1 0.0 . . . . . . . 128 LEU CD2 . 52954 1 149 . 1 . 1 129 129 LEU HD11 H 1 0.755 0.0 . . . . . . . 129 LEU HD1 . 52954 1 150 . 1 . 1 129 129 LEU HD12 H 1 0.755 0.0 . . . . . . . 129 LEU HD1 . 52954 1 151 . 1 . 1 129 129 LEU HD13 H 1 0.755 0.0 . . . . . . . 129 LEU HD1 . 52954 1 152 . 1 . 1 129 129 LEU CD1 C 13 25.214 0.0 . . . . . . . 129 LEU CD1 . 52954 1 153 . 1 . 1 132 132 LEU HD11 H 1 -0.152 0.0 . . . . . . . 132 LEU HD1 . 52954 1 154 . 1 . 1 132 132 LEU HD12 H 1 -0.152 0.0 . . . . . . . 132 LEU HD1 . 52954 1 155 . 1 . 1 132 132 LEU HD13 H 1 -0.152 0.0 . . . . . . . 132 LEU HD1 . 52954 1 156 . 1 . 1 132 132 LEU HD21 H 1 0.303 0.0 . . . . . . . 132 LEU HD2 . 52954 1 157 . 1 . 1 132 132 LEU HD22 H 1 0.303 0.0 . . . . . . . 132 LEU HD2 . 52954 1 158 . 1 . 1 132 132 LEU HD23 H 1 0.303 0.0 . . . . . . . 132 LEU HD2 . 52954 1 159 . 1 . 1 132 132 LEU CD1 C 13 21.45 0.0 . . . . . . . 132 LEU CD1 . 52954 1 160 . 1 . 1 132 132 LEU CD2 C 13 25.15 0.0 . . . . . . . 132 LEU CD2 . 52954 1 161 . 1 . 1 143 143 LEU HD11 H 1 0.814 0.0 . . . . . . . 143 LEU HD1 . 52954 1 162 . 1 . 1 143 143 LEU HD12 H 1 0.814 0.0 . . . . . . . 143 LEU HD1 . 52954 1 163 . 1 . 1 143 143 LEU HD13 H 1 0.814 0.0 . . . . . . . 143 LEU HD1 . 52954 1 164 . 1 . 1 143 143 LEU HD21 H 1 0.917 0.0 . . . . . . . 143 LEU HD2 . 52954 1 165 . 1 . 1 143 143 LEU HD22 H 1 0.917 0.0 . . . . . . . 143 LEU HD2 . 52954 1 166 . 1 . 1 143 143 LEU HD23 H 1 0.917 0.0 . . . . . . . 143 LEU HD2 . 52954 1 167 . 1 . 1 143 143 LEU CD1 C 13 26.787 0.0 . . . . . . . 143 LEU CD1 . 52954 1 168 . 1 . 1 143 143 LEU CD2 C 13 25.119 0.0 . . . . . . . 143 LEU CD2 . 52954 1 169 . 1 . 1 151 151 LEU HD11 H 1 0.772 0.0 . . . . . . . 151 LEU HD1 . 52954 1 170 . 1 . 1 151 151 LEU HD12 H 1 0.772 0.0 . . . . . . . 151 LEU HD1 . 52954 1 171 . 1 . 1 151 151 LEU HD13 H 1 0.772 0.0 . . . . . . . 151 LEU HD1 . 52954 1 172 . 1 . 1 151 151 LEU CD1 C 13 25.461 0.0 . . . . . . . 151 LEU CD1 . 52954 1 173 . 1 . 1 152 152 LEU HD21 H 1 0.941 0.0 . . . . . . . 152 LEU HD2 . 52954 1 174 . 1 . 1 152 152 LEU HD22 H 1 0.941 0.0 . . . . . . . 152 LEU HD2 . 52954 1 175 . 1 . 1 152 152 LEU HD23 H 1 0.941 0.0 . . . . . . . 152 LEU HD2 . 52954 1 176 . 1 . 1 152 152 LEU CD2 C 13 23.95 0.0 . . . . . . . 152 LEU CD2 . 52954 1 177 . 1 . 1 155 155 LEU HD21 H 1 0.811 0.0 . . . . . . . 155 LEU HD2 . 52954 1 178 . 1 . 1 155 155 LEU HD22 H 1 0.811 0.0 . . . . . . . 155 LEU HD2 . 52954 1 179 . 1 . 1 155 155 LEU HD23 H 1 0.811 0.0 . . . . . . . 155 LEU HD2 . 52954 1 180 . 1 . 1 155 155 LEU CD2 C 13 25.538 0.0 . . . . . . . 155 LEU CD2 . 52954 1 181 . 1 . 1 173 173 VAL HG11 H 1 0.979 0.0 . . . . . . . 173 VAL HG1 . 52954 1 182 . 1 . 1 173 173 VAL HG12 H 1 0.979 0.0 . . . . . . . 173 VAL HG1 . 52954 1 183 . 1 . 1 173 173 VAL HG13 H 1 0.979 0.0 . . . . . . . 173 VAL HG1 . 52954 1 184 . 1 . 1 173 173 VAL CG1 C 13 23.617 0.0 . . . . . . . 173 VAL CG1 . 52954 1 185 . 1 . 1 176 176 LEU HD11 H 1 1.147 0.0 . . . . . . . 176 LEU HD1 . 52954 1 186 . 1 . 1 176 176 LEU HD12 H 1 1.147 0.0 . . . . . . . 176 LEU HD1 . 52954 1 187 . 1 . 1 176 176 LEU HD13 H 1 1.147 0.0 . . . . . . . 176 LEU HD1 . 52954 1 188 . 1 . 1 176 176 LEU HD21 H 1 0.962 0.0 . . . . . . . 176 LEU HD2 . 52954 1 189 . 1 . 1 176 176 LEU HD22 H 1 0.962 0.0 . . . . . . . 176 LEU HD2 . 52954 1 190 . 1 . 1 176 176 LEU HD23 H 1 0.962 0.0 . . . . . . . 176 LEU HD2 . 52954 1 191 . 1 . 1 176 176 LEU CD1 C 13 24.739 0.0 . . . . . . . 176 LEU CD1 . 52954 1 192 . 1 . 1 176 176 LEU CD2 C 13 26.121 0.0 . . . . . . . 176 LEU CD2 . 52954 1 193 . 1 . 1 180 180 VAL HG11 H 1 0.371 0.0 . . . . . . . 180 VAL HG1 . 52954 1 194 . 1 . 1 180 180 VAL HG12 H 1 0.371 0.0 . . . . . . . 180 VAL HG1 . 52954 1 195 . 1 . 1 180 180 VAL HG13 H 1 0.371 0.0 . . . . . . . 180 VAL HG1 . 52954 1 196 . 1 . 1 180 180 VAL HG21 H 1 0.116 0.0 . . . . . . . 180 VAL HG2 . 52954 1 197 . 1 . 1 180 180 VAL HG22 H 1 0.116 0.0 . . . . . . . 180 VAL HG2 . 52954 1 198 . 1 . 1 180 180 VAL HG23 H 1 0.116 0.0 . . . . . . . 180 VAL HG2 . 52954 1 199 . 1 . 1 180 180 VAL CG1 C 13 19.858 0.0 . . . . . . . 180 VAL CG1 . 52954 1 200 . 1 . 1 180 180 VAL CG2 C 13 20.761 0.0 . . . . . . . 180 VAL CG2 . 52954 1 201 . 1 . 1 187 187 LEU HD21 H 1 0.659 0.0 . . . . . . . 187 LEU HD2 . 52954 1 202 . 1 . 1 187 187 LEU HD22 H 1 0.659 0.0 . . . . . . . 187 LEU HD2 . 52954 1 203 . 1 . 1 187 187 LEU HD23 H 1 0.659 0.0 . . . . . . . 187 LEU HD2 . 52954 1 204 . 1 . 1 187 187 LEU CD2 C 13 22.372 0.0 . . . . . . . 187 LEU CD2 . 52954 1 205 . 1 . 1 191 191 LEU HD11 H 1 0.623 0.0 . . . . . . . 191 LEU HD1 . 52954 1 206 . 1 . 1 191 191 LEU HD12 H 1 0.623 0.0 . . . . . . . 191 LEU HD1 . 52954 1 207 . 1 . 1 191 191 LEU HD13 H 1 0.623 0.0 . . . . . . . 191 LEU HD1 . 52954 1 208 . 1 . 1 191 191 LEU HD21 H 1 0.795 0.0 . . . . . . . 191 LEU HD2 . 52954 1 209 . 1 . 1 191 191 LEU HD22 H 1 0.795 0.0 . . . . . . . 191 LEU HD2 . 52954 1 210 . 1 . 1 191 191 LEU HD23 H 1 0.795 0.0 . . . . . . . 191 LEU HD2 . 52954 1 211 . 1 . 1 191 191 LEU CD1 C 13 24.542 0.0 . . . . . . . 191 LEU CD1 . 52954 1 212 . 1 . 1 191 191 LEU CD2 C 13 26.095 0.0 . . . . . . . 191 LEU CD2 . 52954 1 213 . 1 . 1 202 202 LEU HD11 H 1 0.91 0.0 . . . . . . . 202 LEU HD1 . 52954 1 214 . 1 . 1 202 202 LEU HD12 H 1 0.91 0.0 . . . . . . . 202 LEU HD1 . 52954 1 215 . 1 . 1 202 202 LEU HD13 H 1 0.91 0.0 . . . . . . . 202 LEU HD1 . 52954 1 216 . 1 . 1 202 202 LEU HD21 H 1 0.222 0.0 . . . . . . . 202 LEU HD2 . 52954 1 217 . 1 . 1 202 202 LEU HD22 H 1 0.222 0.0 . . . . . . . 202 LEU HD2 . 52954 1 218 . 1 . 1 202 202 LEU HD23 H 1 0.222 0.0 . . . . . . . 202 LEU HD2 . 52954 1 219 . 1 . 1 202 202 LEU CD1 C 13 23.836 0.0 . . . . . . . 202 LEU CD1 . 52954 1 220 . 1 . 1 202 202 LEU CD2 C 13 23.195 0.0 . . . . . . . 202 LEU CD2 . 52954 1 221 . 1 . 1 216 216 LEU HD11 H 1 1.126 0.0 . . . . . . . 216 LEU HD1 . 52954 1 222 . 1 . 1 216 216 LEU HD12 H 1 1.126 0.0 . . . . . . . 216 LEU HD1 . 52954 1 223 . 1 . 1 216 216 LEU HD13 H 1 1.126 0.0 . . . . . . . 216 LEU HD1 . 52954 1 224 . 1 . 1 216 216 LEU HD21 H 1 0.936 0.0 . . . . . . . 216 LEU HD2 . 52954 1 225 . 1 . 1 216 216 LEU HD22 H 1 0.936 0.0 . . . . . . . 216 LEU HD2 . 52954 1 226 . 1 . 1 216 216 LEU HD23 H 1 0.936 0.0 . . . . . . . 216 LEU HD2 . 52954 1 227 . 1 . 1 216 216 LEU CD1 C 13 26.9 0.0 . . . . . . . 216 LEU CD1 . 52954 1 228 . 1 . 1 216 216 LEU CD2 C 13 24.23 0.0 . . . . . . . 216 LEU CD2 . 52954 1 229 . 1 . 1 220 220 LEU HD11 H 1 0.571 0.0 . . . . . . . 220 LEU HD1 . 52954 1 230 . 1 . 1 220 220 LEU HD12 H 1 0.571 0.0 . . . . . . . 220 LEU HD1 . 52954 1 231 . 1 . 1 220 220 LEU HD13 H 1 0.571 0.0 . . . . . . . 220 LEU HD1 . 52954 1 232 . 1 . 1 220 220 LEU CD1 C 13 25.847 0.0 . . . . . . . 220 LEU CD1 . 52954 1 233 . 1 . 1 224 224 VAL HG21 H 1 0.773 0.0 . . . . . . . 224 VAL HG2 . 52954 1 234 . 1 . 1 224 224 VAL HG22 H 1 0.773 0.0 . . . . . . . 224 VAL HG2 . 52954 1 235 . 1 . 1 224 224 VAL HG23 H 1 0.773 0.0 . . . . . . . 224 VAL HG2 . 52954 1 236 . 1 . 1 224 224 VAL CG2 C 13 21.623 0.0 . . . . . . . 224 VAL CG2 . 52954 1 237 . 1 . 1 232 232 LEU HD11 H 1 0.609 0.0 . . . . . . . 232 LEU HD1 . 52954 1 238 . 1 . 1 232 232 LEU HD12 H 1 0.609 0.0 . . . . . . . 232 LEU HD1 . 52954 1 239 . 1 . 1 232 232 LEU HD13 H 1 0.609 0.0 . . . . . . . 232 LEU HD1 . 52954 1 240 . 1 . 1 232 232 LEU CD1 C 13 24.287 0.0 . . . . . . . 232 LEU CD1 . 52954 1 241 . 1 . 1 233 233 LEU HD21 H 1 0.818 0.0 . . . . . . . 233 LEU HD2 . 52954 1 242 . 1 . 1 233 233 LEU HD22 H 1 0.818 0.0 . . . . . . . 233 LEU HD2 . 52954 1 243 . 1 . 1 233 233 LEU HD23 H 1 0.818 0.0 . . . . . . . 233 LEU HD2 . 52954 1 244 . 1 . 1 233 233 LEU CD2 C 13 25.78 0.0 . . . . . . . 233 LEU CD2 . 52954 1 245 . 1 . 1 236 236 LEU HD11 H 1 0.767 0.0 . . . . . . . 236 LEU HD1 . 52954 1 246 . 1 . 1 236 236 LEU HD12 H 1 0.767 0.0 . . . . . . . 236 LEU HD1 . 52954 1 247 . 1 . 1 236 236 LEU HD13 H 1 0.767 0.0 . . . . . . . 236 LEU HD1 . 52954 1 248 . 1 . 1 236 236 LEU HD21 H 1 0.68 0.0 . . . . . . . 236 LEU HD2 . 52954 1 249 . 1 . 1 236 236 LEU HD22 H 1 0.68 0.0 . . . . . . . 236 LEU HD2 . 52954 1 250 . 1 . 1 236 236 LEU HD23 H 1 0.68 0.0 . . . . . . . 236 LEU HD2 . 52954 1 251 . 1 . 1 236 236 LEU CD1 C 13 26.12 0.0 . . . . . . . 236 LEU CD1 . 52954 1 252 . 1 . 1 236 236 LEU CD2 C 13 22.861 0.0 . . . . . . . 236 LEU CD2 . 52954 1 253 . 1 . 1 245 245 LEU HD11 H 1 0.86 0.0 . . . . . . . 245 LEU HD1 . 52954 1 254 . 1 . 1 245 245 LEU HD12 H 1 0.86 0.0 . . . . . . . 245 LEU HD1 . 52954 1 255 . 1 . 1 245 245 LEU HD13 H 1 0.86 0.0 . . . . . . . 245 LEU HD1 . 52954 1 256 . 1 . 1 245 245 LEU CD1 C 13 25.864 0.0 . . . . . . . 245 LEU CD1 . 52954 1 257 . 1 . 1 248 248 LEU HD11 H 1 1.027 0.0 . . . . . . . 248 LEU HD1 . 52954 1 258 . 1 . 1 248 248 LEU HD12 H 1 1.027 0.0 . . . . . . . 248 LEU HD1 . 52954 1 259 . 1 . 1 248 248 LEU HD13 H 1 1.027 0.0 . . . . . . . 248 LEU HD1 . 52954 1 260 . 1 . 1 248 248 LEU HD21 H 1 1.09 0.0 . . . . . . . 248 LEU HD2 . 52954 1 261 . 1 . 1 248 248 LEU HD22 H 1 1.09 0.0 . . . . . . . 248 LEU HD2 . 52954 1 262 . 1 . 1 248 248 LEU HD23 H 1 1.09 0.0 . . . . . . . 248 LEU HD2 . 52954 1 263 . 1 . 1 248 248 LEU CD1 C 13 25.769 0.0 . . . . . . . 248 LEU CD1 . 52954 1 264 . 1 . 1 248 248 LEU CD2 C 13 24.191 0.0 . . . . . . . 248 LEU CD2 . 52954 1 265 . 1 . 1 252 252 LEU HD11 H 1 0.923 0.0 . . . . . . . 252 LEU HD1 . 52954 1 266 . 1 . 1 252 252 LEU HD12 H 1 0.923 0.0 . . . . . . . 252 LEU HD1 . 52954 1 267 . 1 . 1 252 252 LEU HD13 H 1 0.923 0.0 . . . . . . . 252 LEU HD1 . 52954 1 268 . 1 . 1 252 252 LEU CD1 C 13 22.752 0.0 . . . . . . . 252 LEU CD1 . 52954 1 269 . 1 . 1 265 265 VAL HG11 H 1 0.749 0.0 . . . . . . . 265 VAL HG1 . 52954 1 270 . 1 . 1 265 265 VAL HG12 H 1 0.749 0.0 . . . . . . . 265 VAL HG1 . 52954 1 271 . 1 . 1 265 265 VAL HG13 H 1 0.749 0.0 . . . . . . . 265 VAL HG1 . 52954 1 272 . 1 . 1 265 265 VAL CG1 C 13 19.548 0.0 . . . . . . . 265 VAL CG1 . 52954 1 273 . 1 . 1 268 268 VAL HG11 H 1 0.919 0.0 . . . . . . . 268 VAL HG1 . 52954 1 274 . 1 . 1 268 268 VAL HG12 H 1 0.919 0.0 . . . . . . . 268 VAL HG1 . 52954 1 275 . 1 . 1 268 268 VAL HG13 H 1 0.919 0.0 . . . . . . . 268 VAL HG1 . 52954 1 276 . 1 . 1 268 268 VAL HG21 H 1 0.954 0.0 . . . . . . . 268 VAL HG2 . 52954 1 277 . 1 . 1 268 268 VAL HG22 H 1 0.954 0.0 . . . . . . . 268 VAL HG2 . 52954 1 278 . 1 . 1 268 268 VAL HG23 H 1 0.954 0.0 . . . . . . . 268 VAL HG2 . 52954 1 279 . 1 . 1 268 268 VAL CG1 C 13 22.385 0.0 . . . . . . . 268 VAL CG1 . 52954 1 280 . 1 . 1 268 268 VAL CG2 C 13 20.644 0.0 . . . . . . . 268 VAL CG2 . 52954 1 281 . 1 . 1 270 270 VAL HG11 H 1 0.962 0.0 . . . . . . . 270 VAL HG1 . 52954 1 282 . 1 . 1 270 270 VAL HG12 H 1 0.962 0.0 . . . . . . . 270 VAL HG1 . 52954 1 283 . 1 . 1 270 270 VAL HG13 H 1 0.962 0.0 . . . . . . . 270 VAL HG1 . 52954 1 284 . 1 . 1 270 270 VAL CG1 C 13 21.183 0.0 . . . . . . . 270 VAL CG1 . 52954 1 285 . 1 . 1 274 274 VAL HG11 H 1 0.782 0.0 . . . . . . . 274 VAL HG1 . 52954 1 286 . 1 . 1 274 274 VAL HG12 H 1 0.782 0.0 . . . . . . . 274 VAL HG1 . 52954 1 287 . 1 . 1 274 274 VAL HG13 H 1 0.782 0.0 . . . . . . . 274 VAL HG1 . 52954 1 288 . 1 . 1 274 274 VAL CG1 C 13 21.428 0.0 . . . . . . . 274 VAL CG1 . 52954 1 289 . 1 . 1 277 277 LEU HD21 H 1 0.837 0.0 . . . . . . . 277 LEU HD2 . 52954 1 290 . 1 . 1 277 277 LEU HD22 H 1 0.837 0.0 . . . . . . . 277 LEU HD2 . 52954 1 291 . 1 . 1 277 277 LEU HD23 H 1 0.837 0.0 . . . . . . . 277 LEU HD2 . 52954 1 292 . 1 . 1 277 277 LEU CD2 C 13 26.496 0.0 . . . . . . . 277 LEU CD2 . 52954 1 293 . 1 . 1 281 281 LEU HD11 H 1 1.068 0.0 . . . . . . . 281 LEU HD1 . 52954 1 294 . 1 . 1 281 281 LEU HD12 H 1 1.068 0.0 . . . . . . . 281 LEU HD1 . 52954 1 295 . 1 . 1 281 281 LEU HD13 H 1 1.068 0.0 . . . . . . . 281 LEU HD1 . 52954 1 296 . 1 . 1 281 281 LEU CD1 C 13 26.344 0.0 . . . . . . . 281 LEU CD1 . 52954 1 297 . 1 . 1 286 286 LEU HD11 H 1 0.909 0.0 . . . . . . . 286 LEU HD1 . 52954 1 298 . 1 . 1 286 286 LEU HD12 H 1 0.909 0.0 . . . . . . . 286 LEU HD1 . 52954 1 299 . 1 . 1 286 286 LEU HD13 H 1 0.909 0.0 . . . . . . . 286 LEU HD1 . 52954 1 300 . 1 . 1 286 286 LEU CD1 C 13 26.41 0.0 . . . . . . . 286 LEU CD1 . 52954 1 301 . 1 . 1 289 289 ILE HD11 H 1 0.429 0.0 . . . . . . . 289 ILE HD1 . 52954 1 302 . 1 . 1 289 289 ILE HD12 H 1 0.429 0.0 . . . . . . . 289 ILE HD1 . 52954 1 303 . 1 . 1 289 289 ILE HD13 H 1 0.429 0.0 . . . . . . . 289 ILE HD1 . 52954 1 304 . 1 . 1 289 289 ILE CD1 C 13 14.206 0.0 . . . . . . . 289 ILE CD1 . 52954 1 305 . 1 . 1 293 293 VAL HG11 H 1 0.981 0.0 . . . . . . . 293 VAL HG1 . 52954 1 306 . 1 . 1 293 293 VAL HG12 H 1 0.981 0.0 . . . . . . . 293 VAL HG1 . 52954 1 307 . 1 . 1 293 293 VAL HG13 H 1 0.981 0.0 . . . . . . . 293 VAL HG1 . 52954 1 308 . 1 . 1 293 293 VAL CG1 C 13 24.156 0.0 . . . . . . . 293 VAL CG1 . 52954 1 309 . 1 . 1 296 296 ILE HD11 H 1 0.812 0.0 . . . . . . . 296 ILE HD1 . 52954 1 310 . 1 . 1 296 296 ILE HD12 H 1 0.812 0.0 . . . . . . . 296 ILE HD1 . 52954 1 311 . 1 . 1 296 296 ILE HD13 H 1 0.812 0.0 . . . . . . . 296 ILE HD1 . 52954 1 312 . 1 . 1 296 296 ILE CD1 C 13 12.174 0.0 . . . . . . . 296 ILE CD1 . 52954 1 313 . 1 . 1 300 300 LEU HD11 H 1 0.692 0.0 . . . . . . . 300 LEU HD1 . 52954 1 314 . 1 . 1 300 300 LEU HD12 H 1 0.692 0.0 . . . . . . . 300 LEU HD1 . 52954 1 315 . 1 . 1 300 300 LEU HD13 H 1 0.692 0.0 . . . . . . . 300 LEU HD1 . 52954 1 316 . 1 . 1 300 300 LEU CD1 C 13 26.61 0.0 . . . . . . . 300 LEU CD1 . 52954 1 317 . 1 . 1 303 303 VAL HG11 H 1 0.93 0.0 . . . . . . . 303 VAL HG1 . 52954 1 318 . 1 . 1 303 303 VAL HG12 H 1 0.93 0.0 . . . . . . . 303 VAL HG1 . 52954 1 319 . 1 . 1 303 303 VAL HG13 H 1 0.93 0.0 . . . . . . . 303 VAL HG1 . 52954 1 320 . 1 . 1 303 303 VAL HG21 H 1 0.908 0.0 . . . . . . . 303 VAL HG2 . 52954 1 321 . 1 . 1 303 303 VAL HG22 H 1 0.908 0.0 . . . . . . . 303 VAL HG2 . 52954 1 322 . 1 . 1 303 303 VAL HG23 H 1 0.908 0.0 . . . . . . . 303 VAL HG2 . 52954 1 323 . 1 . 1 303 303 VAL CG1 C 13 20.506 0.0 . . . . . . . 303 VAL CG1 . 52954 1 324 . 1 . 1 303 303 VAL CG2 C 13 21.162 0.0 . . . . . . . 303 VAL CG2 . 52954 1 325 . 1 . 1 306 306 ILE HD11 H 1 0.809 0.0 . . . . . . . 306 ILE HD1 . 52954 1 326 . 1 . 1 306 306 ILE HD12 H 1 0.809 0.0 . . . . . . . 306 ILE HD1 . 52954 1 327 . 1 . 1 306 306 ILE HD13 H 1 0.809 0.0 . . . . . . . 306 ILE HD1 . 52954 1 328 . 1 . 1 306 306 ILE CD1 C 13 15.066 0.0 . . . . . . . 306 ILE CD1 . 52954 1 329 . 1 . 1 310 310 LEU HD11 H 1 0.817 0.0 . . . . . . . 310 LEU HD1 . 52954 1 330 . 1 . 1 310 310 LEU HD12 H 1 0.817 0.0 . . . . . . . 310 LEU HD1 . 52954 1 331 . 1 . 1 310 310 LEU HD13 H 1 0.817 0.0 . . . . . . . 310 LEU HD1 . 52954 1 332 . 1 . 1 310 310 LEU CD1 C 13 24.404 0.0 . . . . . . . 310 LEU CD1 . 52954 1 333 . 1 . 1 311 311 LEU HD21 H 1 0.914 0.0 . . . . . . . 311 LEU HD2 . 52954 1 334 . 1 . 1 311 311 LEU HD22 H 1 0.914 0.0 . . . . . . . 311 LEU HD2 . 52954 1 335 . 1 . 1 311 311 LEU HD23 H 1 0.914 0.0 . . . . . . . 311 LEU HD2 . 52954 1 336 . 1 . 1 311 311 LEU CD2 C 13 24.958 0.0 . . . . . . . 311 LEU CD2 . 52954 1 337 . 1 . 1 312 312 ILE HD11 H 1 0.643 0.0 . . . . . . . 312 ILE HD1 . 52954 1 338 . 1 . 1 312 312 ILE HD12 H 1 0.643 0.0 . . . . . . . 312 ILE HD1 . 52954 1 339 . 1 . 1 312 312 ILE HD13 H 1 0.643 0.0 . . . . . . . 312 ILE HD1 . 52954 1 340 . 1 . 1 312 312 ILE CD1 C 13 12.573 0.0 . . . . . . . 312 ILE CD1 . 52954 1 341 . 1 . 1 315 315 LEU HD21 H 1 0.878 0.0 . . . . . . . 315 LEU HD2 . 52954 1 342 . 1 . 1 315 315 LEU HD22 H 1 0.878 0.0 . . . . . . . 315 LEU HD2 . 52954 1 343 . 1 . 1 315 315 LEU HD23 H 1 0.878 0.0 . . . . . . . 315 LEU HD2 . 52954 1 344 . 1 . 1 315 315 LEU CD2 C 13 23.614 0.0 . . . . . . . 315 LEU CD2 . 52954 1 345 . 1 . 1 316 316 LEU HD11 H 1 0.945 0.0 . . . . . . . 316 LEU HD1 . 52954 1 346 . 1 . 1 316 316 LEU HD12 H 1 0.945 0.0 . . . . . . . 316 LEU HD1 . 52954 1 347 . 1 . 1 316 316 LEU HD13 H 1 0.945 0.0 . . . . . . . 316 LEU HD1 . 52954 1 348 . 1 . 1 316 316 LEU HD21 H 1 0.843 0.0 . . . . . . . 316 LEU HD2 . 52954 1 349 . 1 . 1 316 316 LEU HD22 H 1 0.843 0.0 . . . . . . . 316 LEU HD2 . 52954 1 350 . 1 . 1 316 316 LEU HD23 H 1 0.843 0.0 . . . . . . . 316 LEU HD2 . 52954 1 351 . 1 . 1 316 316 LEU CD1 C 13 20.59 0.0 . . . . . . . 316 LEU CD1 . 52954 1 352 . 1 . 1 316 316 LEU CD2 C 13 25.855 0.0 . . . . . . . 316 LEU CD2 . 52954 1 353 . 1 . 1 317 317 LEU HD11 H 1 0.946 0.0 . . . . . . . 317 LEU HD1 . 52954 1 354 . 1 . 1 317 317 LEU HD12 H 1 0.946 0.0 . . . . . . . 317 LEU HD1 . 52954 1 355 . 1 . 1 317 317 LEU HD13 H 1 0.946 0.0 . . . . . . . 317 LEU HD1 . 52954 1 356 . 1 . 1 317 317 LEU CD1 C 13 21.536 0.0 . . . . . . . 317 LEU CD1 . 52954 1 357 . 1 . 1 319 319 ILE HD11 H 1 0.547 0.0 . . . . . . . 319 ILE HD1 . 52954 1 358 . 1 . 1 319 319 ILE HD12 H 1 0.547 0.0 . . . . . . . 319 ILE HD1 . 52954 1 359 . 1 . 1 319 319 ILE HD13 H 1 0.547 0.0 . . . . . . . 319 ILE HD1 . 52954 1 360 . 1 . 1 319 319 ILE CD1 C 13 14.006 0.0 . . . . . . . 319 ILE CD1 . 52954 1 361 . 1 . 1 323 323 LEU HD21 H 1 0.709 0.0 . . . . . . . 323 LEU HD2 . 52954 1 362 . 1 . 1 323 323 LEU HD22 H 1 0.709 0.0 . . . . . . . 323 LEU HD2 . 52954 1 363 . 1 . 1 323 323 LEU HD23 H 1 0.709 0.0 . . . . . . . 323 LEU HD2 . 52954 1 364 . 1 . 1 323 323 LEU CD2 C 13 21.842 0.0 . . . . . . . 323 LEU CD2 . 52954 1 365 . 1 . 1 327 327 VAL HG21 H 1 0.783 0.0 . . . . . . . 327 VAL HG2 . 52954 1 366 . 1 . 1 327 327 VAL HG22 H 1 0.783 0.0 . . . . . . . 327 VAL HG2 . 52954 1 367 . 1 . 1 327 327 VAL HG23 H 1 0.783 0.0 . . . . . . . 327 VAL HG2 . 52954 1 368 . 1 . 1 327 327 VAL CG2 C 13 21.23 0.0 . . . . . . . 327 VAL CG2 . 52954 1 369 . 1 . 1 334 334 LEU HD21 H 1 0.836 0.0 . . . . . . . 334 LEU HD2 . 52954 1 370 . 1 . 1 334 334 LEU HD22 H 1 0.836 0.0 . . . . . . . 334 LEU HD2 . 52954 1 371 . 1 . 1 334 334 LEU HD23 H 1 0.836 0.0 . . . . . . . 334 LEU HD2 . 52954 1 372 . 1 . 1 334 334 LEU CD2 C 13 24.928 0.0 . . . . . . . 334 LEU CD2 . 52954 1 stop_ save_