data_28054 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28054 _Entry.Title ; ILVM methyl assignments for Pyrococcus furiosus Mre11 nuclease and capping domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-16 _Entry.Accession_date 2019-12-16 _Entry.Last_release_date 2019-12-17 _Entry.Original_release_date 2019-12-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mahtab Beikzadeh . P. . . 28054 2 Navneet Kaur . . . . 28054 3 Michael Latham . . . . 28054 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Latham_Lab; TTU' . 28054 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28054 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 134 28054 '1H chemical shifts' 402 28054 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-09-24 2019-12-16 update BMRB 'update entry citation' 28054 1 . . 2019-12-20 2019-12-16 original author 'original release' 28054 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28054 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32246962 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mutation of Conserved Mre11 Residues Alter Protein Dynamics to Separate Nuclease Functions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 3289 _Citation.Page_last 3308 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samiur Rahman . . . . 28054 1 2 Mahtab Beikzadeh . . . . 28054 1 3 Marella Canny . D. . . 28054 1 4 Navneet Kaur . . . . 28054 1 5 Michael Latham . P. . . 28054 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28054 _Assembly.ID 1 _Assembly.Name 'Mre11 nuclease and capping domains' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Mre11 ND' 1 $Mre11_ND A . yes native no no . . . 28054 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ii7 . . X-ray . . . 28054 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mre11_ND _Entity.Sf_category entity _Entity.Sf_framecode Mre11_ND _Entity.Entry_ID 28054 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mre11_ND _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 ; MKFAHLADIHLGYEQFHKPQ REEEFAEAFKNALEIAVQEN VDFILIAGDLFHSSRPSPGT LKKAIALLQIPKEHSIPVFA IEGNHDRTQRGPSVLNLLED FGLVYVIGMRKEKVENEYLT SERLGNGEYLVKGVYKDLEI HGMKYMSSAWFEANKEILKR LFRPTDNAILMLHQGVREVS EARGEDYFEIGLGDLPEGYL YYALGHIHKRYETSYSGSPV VYPGSLERWDFGDYEVRYEW DGIKFKERYGVNKGFYIVED FKPRFVEIKVRPFIDVKIKG SEEEIRKAIKRLIPLIPKNA YVRLNIGWRKPFDLTEIKEL LNVEYLKIDTWRI ; _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 333 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Nuclease and Capping domains' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Endonuclease 28054 1 Exonuclease 28054 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28054 1 2 . LYS . 28054 1 3 . PHE . 28054 1 4 . ALA . 28054 1 5 . HIS . 28054 1 6 . LEU . 28054 1 7 . ALA . 28054 1 8 . ASP . 28054 1 9 . ILE . 28054 1 10 . HIS . 28054 1 11 . LEU . 28054 1 12 . GLY . 28054 1 13 . TYR . 28054 1 14 . GLU . 28054 1 15 . GLN . 28054 1 16 . PHE . 28054 1 17 . HIS . 28054 1 18 . LYS . 28054 1 19 . PRO . 28054 1 20 . GLN . 28054 1 21 . ARG . 28054 1 22 . GLU . 28054 1 23 . GLU . 28054 1 24 . GLU . 28054 1 25 . PHE . 28054 1 26 . ALA . 28054 1 27 . GLU . 28054 1 28 . ALA . 28054 1 29 . PHE . 28054 1 30 . LYS . 28054 1 31 . ASN . 28054 1 32 . ALA . 28054 1 33 . LEU . 28054 1 34 . GLU . 28054 1 35 . ILE . 28054 1 36 . ALA . 28054 1 37 . VAL . 28054 1 38 . GLN . 28054 1 39 . GLU . 28054 1 40 . ASN . 28054 1 41 . VAL . 28054 1 42 . ASP . 28054 1 43 . PHE . 28054 1 44 . ILE . 28054 1 45 . LEU . 28054 1 46 . ILE . 28054 1 47 . ALA . 28054 1 48 . GLY . 28054 1 49 . ASP . 28054 1 50 . LEU . 28054 1 51 . PHE . 28054 1 52 . HIS . 28054 1 53 . SER . 28054 1 54 . SER . 28054 1 55 . ARG . 28054 1 56 . PRO . 28054 1 57 . SER . 28054 1 58 . PRO . 28054 1 59 . GLY . 28054 1 60 . THR . 28054 1 61 . LEU . 28054 1 62 . LYS . 28054 1 63 . LYS . 28054 1 64 . ALA . 28054 1 65 . ILE . 28054 1 66 . ALA . 28054 1 67 . LEU . 28054 1 68 . LEU . 28054 1 69 . GLN . 28054 1 70 . ILE . 28054 1 71 . PRO . 28054 1 72 . LYS . 28054 1 73 . GLU . 28054 1 74 . HIS . 28054 1 75 . SER . 28054 1 76 . ILE . 28054 1 77 . PRO . 28054 1 78 . VAL . 28054 1 79 . PHE . 28054 1 80 . ALA . 28054 1 81 . ILE . 28054 1 82 . GLU . 28054 1 83 . GLY . 28054 1 84 . ASN . 28054 1 85 . HIS . 28054 1 86 . ASP . 28054 1 87 . ARG . 28054 1 88 . THR . 28054 1 89 . GLN . 28054 1 90 . ARG . 28054 1 91 . GLY . 28054 1 92 . PRO . 28054 1 93 . SER . 28054 1 94 . VAL . 28054 1 95 . LEU . 28054 1 96 . ASN . 28054 1 97 . LEU . 28054 1 98 . LEU . 28054 1 99 . GLU . 28054 1 100 . ASP . 28054 1 101 . PHE . 28054 1 102 . GLY . 28054 1 103 . LEU . 28054 1 104 . VAL . 28054 1 105 . TYR . 28054 1 106 . VAL . 28054 1 107 . ILE . 28054 1 108 . GLY . 28054 1 109 . MET . 28054 1 110 . ARG . 28054 1 111 . LYS . 28054 1 112 . GLU . 28054 1 113 . LYS . 28054 1 114 . VAL . 28054 1 115 . GLU . 28054 1 116 . ASN . 28054 1 117 . GLU . 28054 1 118 . TYR . 28054 1 119 . LEU . 28054 1 120 . THR . 28054 1 121 . SER . 28054 1 122 . GLU . 28054 1 123 . ARG . 28054 1 124 . LEU . 28054 1 125 . GLY . 28054 1 126 . ASN . 28054 1 127 . GLY . 28054 1 128 . GLU . 28054 1 129 . TYR . 28054 1 130 . LEU . 28054 1 131 . VAL . 28054 1 132 . LYS . 28054 1 133 . GLY . 28054 1 134 . VAL . 28054 1 135 . TYR . 28054 1 136 . LYS . 28054 1 137 . ASP . 28054 1 138 . LEU . 28054 1 139 . GLU . 28054 1 140 . ILE . 28054 1 141 . HIS . 28054 1 142 . GLY . 28054 1 143 . MET . 28054 1 144 . LYS . 28054 1 145 . TYR . 28054 1 146 . MET . 28054 1 147 . SER . 28054 1 148 . SER . 28054 1 149 . ALA . 28054 1 150 . TRP . 28054 1 151 . PHE . 28054 1 152 . GLU . 28054 1 153 . ALA . 28054 1 154 . ASN . 28054 1 155 . LYS . 28054 1 156 . GLU . 28054 1 157 . ILE . 28054 1 158 . LEU . 28054 1 159 . LYS . 28054 1 160 . ARG . 28054 1 161 . LEU . 28054 1 162 . PHE . 28054 1 163 . ARG . 28054 1 164 . PRO . 28054 1 165 . THR . 28054 1 166 . ASP . 28054 1 167 . ASN . 28054 1 168 . ALA . 28054 1 169 . ILE . 28054 1 170 . LEU . 28054 1 171 . MET . 28054 1 172 . LEU . 28054 1 173 . HIS . 28054 1 174 . GLN . 28054 1 175 . GLY . 28054 1 176 . VAL . 28054 1 177 . ARG . 28054 1 178 . GLU . 28054 1 179 . VAL . 28054 1 180 . SER . 28054 1 181 . GLU . 28054 1 182 . ALA . 28054 1 183 . ARG . 28054 1 184 . GLY . 28054 1 185 . GLU . 28054 1 186 . ASP . 28054 1 187 . TYR . 28054 1 188 . PHE . 28054 1 189 . GLU . 28054 1 190 . ILE . 28054 1 191 . GLY . 28054 1 192 . LEU . 28054 1 193 . GLY . 28054 1 194 . ASP . 28054 1 195 . LEU . 28054 1 196 . PRO . 28054 1 197 . GLU . 28054 1 198 . GLY . 28054 1 199 . TYR . 28054 1 200 . LEU . 28054 1 201 . TYR . 28054 1 202 . TYR . 28054 1 203 . ALA . 28054 1 204 . LEU . 28054 1 205 . GLY . 28054 1 206 . HIS . 28054 1 207 . ILE . 28054 1 208 . HIS . 28054 1 209 . LYS . 28054 1 210 . ARG . 28054 1 211 . TYR . 28054 1 212 . GLU . 28054 1 213 . THR . 28054 1 214 . SER . 28054 1 215 . TYR . 28054 1 216 . SER . 28054 1 217 . GLY . 28054 1 218 . SER . 28054 1 219 . PRO . 28054 1 220 . VAL . 28054 1 221 . VAL . 28054 1 222 . TYR . 28054 1 223 . PRO . 28054 1 224 . GLY . 28054 1 225 . SER . 28054 1 226 . LEU . 28054 1 227 . GLU . 28054 1 228 . ARG . 28054 1 229 . TRP . 28054 1 230 . ASP . 28054 1 231 . PHE . 28054 1 232 . GLY . 28054 1 233 . ASP . 28054 1 234 . TYR . 28054 1 235 . GLU . 28054 1 236 . VAL . 28054 1 237 . ARG . 28054 1 238 . TYR . 28054 1 239 . GLU . 28054 1 240 . TRP . 28054 1 241 . ASP . 28054 1 242 . GLY . 28054 1 243 . ILE . 28054 1 244 . LYS . 28054 1 245 . PHE . 28054 1 246 . LYS . 28054 1 247 . GLU . 28054 1 248 . ARG . 28054 1 249 . TYR . 28054 1 250 . GLY . 28054 1 251 . VAL . 28054 1 252 . ASN . 28054 1 253 . LYS . 28054 1 254 . GLY . 28054 1 255 . PHE . 28054 1 256 . TYR . 28054 1 257 . ILE . 28054 1 258 . VAL . 28054 1 259 . GLU . 28054 1 260 . ASP . 28054 1 261 . PHE . 28054 1 262 . LYS . 28054 1 263 . PRO . 28054 1 264 . ARG . 28054 1 265 . PHE . 28054 1 266 . VAL . 28054 1 267 . GLU . 28054 1 268 . ILE . 28054 1 269 . LYS . 28054 1 270 . VAL . 28054 1 271 . ARG . 28054 1 272 . PRO . 28054 1 273 . PHE . 28054 1 274 . ILE . 28054 1 275 . ASP . 28054 1 276 . VAL . 28054 1 277 . LYS . 28054 1 278 . ILE . 28054 1 279 . LYS . 28054 1 280 . GLY . 28054 1 281 . SER . 28054 1 282 . GLU . 28054 1 283 . GLU . 28054 1 284 . GLU . 28054 1 285 . ILE . 28054 1 286 . ARG . 28054 1 287 . LYS . 28054 1 288 . ALA . 28054 1 289 . ILE . 28054 1 290 . LYS . 28054 1 291 . ARG . 28054 1 292 . LEU . 28054 1 293 . ILE . 28054 1 294 . PRO . 28054 1 295 . LEU . 28054 1 296 . ILE . 28054 1 297 . PRO . 28054 1 298 . LYS . 28054 1 299 . ASN . 28054 1 300 . ALA . 28054 1 301 . TYR . 28054 1 302 . VAL . 28054 1 303 . ARG . 28054 1 304 . LEU . 28054 1 305 . ASN . 28054 1 306 . ILE . 28054 1 307 . GLY . 28054 1 308 . TRP . 28054 1 309 . ARG . 28054 1 310 . LYS . 28054 1 311 . PRO . 28054 1 312 . PHE . 28054 1 313 . ASP . 28054 1 314 . LEU . 28054 1 315 . THR . 28054 1 316 . GLU . 28054 1 317 . ILE . 28054 1 318 . LYS . 28054 1 319 . GLU . 28054 1 320 . LEU . 28054 1 321 . LEU . 28054 1 322 . ASN . 28054 1 323 . VAL . 28054 1 324 . GLU . 28054 1 325 . TYR . 28054 1 326 . LEU . 28054 1 327 . LYS . 28054 1 328 . ILE . 28054 1 329 . ASP . 28054 1 330 . THR . 28054 1 331 . TRP . 28054 1 332 . ARG . 28054 1 333 . ILE . 28054 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 28054 1 . LYS 2 2 28054 1 . PHE 3 3 28054 1 . ALA 4 4 28054 1 . HIS 5 5 28054 1 . LEU 6 6 28054 1 . ALA 7 7 28054 1 . ASP 8 8 28054 1 . ILE 9 9 28054 1 . HIS 10 10 28054 1 . LEU 11 11 28054 1 . GLY 12 12 28054 1 . TYR 13 13 28054 1 . GLU 14 14 28054 1 . GLN 15 15 28054 1 . PHE 16 16 28054 1 . HIS 17 17 28054 1 . LYS 18 18 28054 1 . PRO 19 19 28054 1 . GLN 20 20 28054 1 . ARG 21 21 28054 1 . GLU 22 22 28054 1 . GLU 23 23 28054 1 . GLU 24 24 28054 1 . PHE 25 25 28054 1 . ALA 26 26 28054 1 . GLU 27 27 28054 1 . ALA 28 28 28054 1 . PHE 29 29 28054 1 . LYS 30 30 28054 1 . ASN 31 31 28054 1 . ALA 32 32 28054 1 . LEU 33 33 28054 1 . GLU 34 34 28054 1 . ILE 35 35 28054 1 . ALA 36 36 28054 1 . VAL 37 37 28054 1 . GLN 38 38 28054 1 . GLU 39 39 28054 1 . ASN 40 40 28054 1 . VAL 41 41 28054 1 . ASP 42 42 28054 1 . PHE 43 43 28054 1 . ILE 44 44 28054 1 . LEU 45 45 28054 1 . ILE 46 46 28054 1 . ALA 47 47 28054 1 . GLY 48 48 28054 1 . ASP 49 49 28054 1 . LEU 50 50 28054 1 . PHE 51 51 28054 1 . HIS 52 52 28054 1 . SER 53 53 28054 1 . SER 54 54 28054 1 . ARG 55 55 28054 1 . PRO 56 56 28054 1 . SER 57 57 28054 1 . PRO 58 58 28054 1 . GLY 59 59 28054 1 . THR 60 60 28054 1 . LEU 61 61 28054 1 . LYS 62 62 28054 1 . LYS 63 63 28054 1 . ALA 64 64 28054 1 . ILE 65 65 28054 1 . ALA 66 66 28054 1 . LEU 67 67 28054 1 . LEU 68 68 28054 1 . GLN 69 69 28054 1 . ILE 70 70 28054 1 . PRO 71 71 28054 1 . LYS 72 72 28054 1 . GLU 73 73 28054 1 . HIS 74 74 28054 1 . SER 75 75 28054 1 . ILE 76 76 28054 1 . PRO 77 77 28054 1 . VAL 78 78 28054 1 . PHE 79 79 28054 1 . ALA 80 80 28054 1 . ILE 81 81 28054 1 . GLU 82 82 28054 1 . GLY 83 83 28054 1 . ASN 84 84 28054 1 . HIS 85 85 28054 1 . ASP 86 86 28054 1 . ARG 87 87 28054 1 . THR 88 88 28054 1 . GLN 89 89 28054 1 . ARG 90 90 28054 1 . GLY 91 91 28054 1 . PRO 92 92 28054 1 . SER 93 93 28054 1 . VAL 94 94 28054 1 . LEU 95 95 28054 1 . ASN 96 96 28054 1 . LEU 97 97 28054 1 . LEU 98 98 28054 1 . GLU 99 99 28054 1 . ASP 100 100 28054 1 . PHE 101 101 28054 1 . GLY 102 102 28054 1 . LEU 103 103 28054 1 . VAL 104 104 28054 1 . TYR 105 105 28054 1 . VAL 106 106 28054 1 . ILE 107 107 28054 1 . GLY 108 108 28054 1 . MET 109 109 28054 1 . ARG 110 110 28054 1 . LYS 111 111 28054 1 . GLU 112 112 28054 1 . LYS 113 113 28054 1 . VAL 114 114 28054 1 . GLU 115 115 28054 1 . ASN 116 116 28054 1 . GLU 117 117 28054 1 . TYR 118 118 28054 1 . LEU 119 119 28054 1 . THR 120 120 28054 1 . SER 121 121 28054 1 . GLU 122 122 28054 1 . ARG 123 123 28054 1 . LEU 124 124 28054 1 . GLY 125 125 28054 1 . ASN 126 126 28054 1 . GLY 127 127 28054 1 . GLU 128 128 28054 1 . TYR 129 129 28054 1 . LEU 130 130 28054 1 . VAL 131 131 28054 1 . LYS 132 132 28054 1 . GLY 133 133 28054 1 . VAL 134 134 28054 1 . TYR 135 135 28054 1 . LYS 136 136 28054 1 . ASP 137 137 28054 1 . LEU 138 138 28054 1 . GLU 139 139 28054 1 . ILE 140 140 28054 1 . HIS 141 141 28054 1 . GLY 142 142 28054 1 . MET 143 143 28054 1 . LYS 144 144 28054 1 . TYR 145 145 28054 1 . MET 146 146 28054 1 . SER 147 147 28054 1 . SER 148 148 28054 1 . ALA 149 149 28054 1 . TRP 150 150 28054 1 . PHE 151 151 28054 1 . GLU 152 152 28054 1 . ALA 153 153 28054 1 . ASN 154 154 28054 1 . LYS 155 155 28054 1 . GLU 156 156 28054 1 . ILE 157 157 28054 1 . LEU 158 158 28054 1 . LYS 159 159 28054 1 . ARG 160 160 28054 1 . LEU 161 161 28054 1 . PHE 162 162 28054 1 . ARG 163 163 28054 1 . PRO 164 164 28054 1 . THR 165 165 28054 1 . ASP 166 166 28054 1 . ASN 167 167 28054 1 . ALA 168 168 28054 1 . ILE 169 169 28054 1 . LEU 170 170 28054 1 . MET 171 171 28054 1 . LEU 172 172 28054 1 . HIS 173 173 28054 1 . GLN 174 174 28054 1 . GLY 175 175 28054 1 . VAL 176 176 28054 1 . ARG 177 177 28054 1 . GLU 178 178 28054 1 . VAL 179 179 28054 1 . SER 180 180 28054 1 . GLU 181 181 28054 1 . ALA 182 182 28054 1 . ARG 183 183 28054 1 . GLY 184 184 28054 1 . GLU 185 185 28054 1 . ASP 186 186 28054 1 . TYR 187 187 28054 1 . PHE 188 188 28054 1 . GLU 189 189 28054 1 . ILE 190 190 28054 1 . GLY 191 191 28054 1 . LEU 192 192 28054 1 . GLY 193 193 28054 1 . ASP 194 194 28054 1 . LEU 195 195 28054 1 . PRO 196 196 28054 1 . GLU 197 197 28054 1 . GLY 198 198 28054 1 . TYR 199 199 28054 1 . LEU 200 200 28054 1 . TYR 201 201 28054 1 . TYR 202 202 28054 1 . ALA 203 203 28054 1 . LEU 204 204 28054 1 . GLY 205 205 28054 1 . HIS 206 206 28054 1 . ILE 207 207 28054 1 . HIS 208 208 28054 1 . LYS 209 209 28054 1 . ARG 210 210 28054 1 . TYR 211 211 28054 1 . GLU 212 212 28054 1 . THR 213 213 28054 1 . SER 214 214 28054 1 . TYR 215 215 28054 1 . SER 216 216 28054 1 . GLY 217 217 28054 1 . SER 218 218 28054 1 . PRO 219 219 28054 1 . VAL 220 220 28054 1 . VAL 221 221 28054 1 . TYR 222 222 28054 1 . PRO 223 223 28054 1 . GLY 224 224 28054 1 . SER 225 225 28054 1 . LEU 226 226 28054 1 . GLU 227 227 28054 1 . ARG 228 228 28054 1 . TRP 229 229 28054 1 . ASP 230 230 28054 1 . PHE 231 231 28054 1 . GLY 232 232 28054 1 . ASP 233 233 28054 1 . TYR 234 234 28054 1 . GLU 235 235 28054 1 . VAL 236 236 28054 1 . ARG 237 237 28054 1 . TYR 238 238 28054 1 . GLU 239 239 28054 1 . TRP 240 240 28054 1 . ASP 241 241 28054 1 . GLY 242 242 28054 1 . ILE 243 243 28054 1 . LYS 244 244 28054 1 . PHE 245 245 28054 1 . LYS 246 246 28054 1 . GLU 247 247 28054 1 . ARG 248 248 28054 1 . TYR 249 249 28054 1 . GLY 250 250 28054 1 . VAL 251 251 28054 1 . ASN 252 252 28054 1 . LYS 253 253 28054 1 . GLY 254 254 28054 1 . PHE 255 255 28054 1 . TYR 256 256 28054 1 . ILE 257 257 28054 1 . VAL 258 258 28054 1 . GLU 259 259 28054 1 . ASP 260 260 28054 1 . PHE 261 261 28054 1 . LYS 262 262 28054 1 . PRO 263 263 28054 1 . ARG 264 264 28054 1 . PHE 265 265 28054 1 . VAL 266 266 28054 1 . GLU 267 267 28054 1 . ILE 268 268 28054 1 . LYS 269 269 28054 1 . VAL 270 270 28054 1 . ARG 271 271 28054 1 . PRO 272 272 28054 1 . PHE 273 273 28054 1 . ILE 274 274 28054 1 . ASP 275 275 28054 1 . VAL 276 276 28054 1 . LYS 277 277 28054 1 . ILE 278 278 28054 1 . LYS 279 279 28054 1 . GLY 280 280 28054 1 . SER 281 281 28054 1 . GLU 282 282 28054 1 . GLU 283 283 28054 1 . GLU 284 284 28054 1 . ILE 285 285 28054 1 . ARG 286 286 28054 1 . LYS 287 287 28054 1 . ALA 288 288 28054 1 . ILE 289 289 28054 1 . LYS 290 290 28054 1 . ARG 291 291 28054 1 . LEU 292 292 28054 1 . ILE 293 293 28054 1 . PRO 294 294 28054 1 . LEU 295 295 28054 1 . ILE 296 296 28054 1 . PRO 297 297 28054 1 . LYS 298 298 28054 1 . ASN 299 299 28054 1 . ALA 300 300 28054 1 . TYR 301 301 28054 1 . VAL 302 302 28054 1 . ARG 303 303 28054 1 . LEU 304 304 28054 1 . ASN 305 305 28054 1 . ILE 306 306 28054 1 . GLY 307 307 28054 1 . TRP 308 308 28054 1 . ARG 309 309 28054 1 . LYS 310 310 28054 1 . PRO 311 311 28054 1 . PHE 312 312 28054 1 . ASP 313 313 28054 1 . LEU 314 314 28054 1 . THR 315 315 28054 1 . GLU 316 316 28054 1 . ILE 317 317 28054 1 . LYS 318 318 28054 1 . GLU 319 319 28054 1 . LEU 320 320 28054 1 . LEU 321 321 28054 1 . ASN 322 322 28054 1 . VAL 323 323 28054 1 . GLU 324 324 28054 1 . TYR 325 325 28054 1 . LEU 326 326 28054 1 . LYS 327 327 28054 1 . ILE 328 328 28054 1 . ASP 329 329 28054 1 . THR 330 330 28054 1 . TRP 331 331 28054 1 . ARG 332 332 28054 1 . ILE 333 333 28054 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28054 _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 $Mre11_ND . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . 28054 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28054 _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 $Mre11_ND . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET 29' . . . 28054 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28054 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'Mre11 ND' '[U-98% 2H; U-100% 12C; Iled1 13CH3; Leud 13CH3/12CD3; Valg 13CH3/12CD3; Mete 13CH3]' . . 1 $Mre11_ND . . 0.5 . . mM . . . . 28054 1 2 'sodium sulfate' 'natural abundance' . . . . . . 300 . . mM . . . . 28054 1 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 28054 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 28054 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 28054 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 28054 1 pH 7.5 . pH 28054 1 pressure 1 . atm 28054 1 temperature 273 . K 28054 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28054 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28054 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28054 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 28054 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28054 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28054 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28054 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28054 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 600 . . . 28054 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28054 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2H 12C, methyl-TROSY HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28054 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28054 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28054 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbons' . . . . ppm 18.308 internal indirect 0.25144953 . . . . . 28054 1 H 1 water protons . . . . ppm 4.534 internal direct 1 . . . . . 28054 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28054 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _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 '2H 12C, methyl-TROSY HMQC' . . . 28054 1 2 '3D 1H-13C NOESY aliphatic' . . . 28054 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 1 1 MET HE1 H 1 2.124 0.000 . 1 . . . . . 1 MET HE1 . 28054 1 2 . 1 . 1 1 1 MET HE2 H 1 2.124 0.000 . 1 . . . . . 1 MET HE2 . 28054 1 3 . 1 . 1 1 1 MET HE3 H 1 2.124 0.000 . 1 . . . . . 1 MET HE3 . 28054 1 4 . 1 . 1 1 1 MET CE C 13 17.253 0.000 . 1 . . . . . 1 MET CE . 28054 1 5 . 1 . 1 6 6 LEU HD11 H 1 0.578 0.000 . 1 . . . . . 6 LEU HD11 . 28054 1 6 . 1 . 1 6 6 LEU HD12 H 1 0.578 0.000 . 1 . . . . . 6 LEU HD12 . 28054 1 7 . 1 . 1 6 6 LEU HD13 H 1 0.578 0.000 . 1 . . . . . 6 LEU HD13 . 28054 1 8 . 1 . 1 6 6 LEU HD21 H 1 0.659 0.000 . 1 . . . . . 6 LEU HD21 . 28054 1 9 . 1 . 1 6 6 LEU HD22 H 1 0.659 0.000 . 1 . . . . . 6 LEU HD22 . 28054 1 10 . 1 . 1 6 6 LEU HD23 H 1 0.659 0.000 . 1 . . . . . 6 LEU HD23 . 28054 1 11 . 1 . 1 6 6 LEU CD1 C 13 26.906 0.000 . 1 . . . . . 6 LEU CD1 . 28054 1 12 . 1 . 1 6 6 LEU CD2 C 13 26.763 0.000 . 1 . . . . . 6 LEU CD2 . 28054 1 13 . 1 . 1 9 9 ILE HD11 H 1 0.544 0.000 . 1 . . . . . 9 ILE HD11 . 28054 1 14 . 1 . 1 9 9 ILE HD12 H 1 0.544 0.000 . 1 . . . . . 9 ILE HD12 . 28054 1 15 . 1 . 1 9 9 ILE HD13 H 1 0.544 0.000 . 1 . . . . . 9 ILE HD13 . 28054 1 16 . 1 . 1 9 9 ILE CD1 C 13 11.956 0.000 . 1 . . . . . 9 ILE CD1 . 28054 1 17 . 1 . 1 11 11 LEU HD11 H 1 0.268 0.000 . 1 . . . . . 11 LEU HD11 . 28054 1 18 . 1 . 1 11 11 LEU HD12 H 1 0.268 0.000 . 1 . . . . . 11 LEU HD12 . 28054 1 19 . 1 . 1 11 11 LEU HD13 H 1 0.268 0.000 . 1 . . . . . 11 LEU HD13 . 28054 1 20 . 1 . 1 11 11 LEU HD21 H 1 0.681 0.000 . 1 . . . . . 11 LEU HD21 . 28054 1 21 . 1 . 1 11 11 LEU HD22 H 1 0.681 0.000 . 1 . . . . . 11 LEU HD22 . 28054 1 22 . 1 . 1 11 11 LEU HD23 H 1 0.681 0.000 . 1 . . . . . 11 LEU HD23 . 28054 1 23 . 1 . 1 11 11 LEU CD1 C 13 25.155 0.000 . 1 . . . . . 11 LEU CD1 . 28054 1 24 . 1 . 1 11 11 LEU CD2 C 13 22.107 0.000 . 1 . . . . . 11 LEU CD2 . 28054 1 25 . 1 . 1 33 33 LEU HD11 H 1 0.229 0.000 . 1 . . . . . 33 LEU HD11 . 28054 1 26 . 1 . 1 33 33 LEU HD12 H 1 0.229 0.000 . 1 . . . . . 33 LEU HD12 . 28054 1 27 . 1 . 1 33 33 LEU HD13 H 1 0.229 0.000 . 1 . . . . . 33 LEU HD13 . 28054 1 28 . 1 . 1 33 33 LEU HD21 H 1 -0.115 0.000 . 1 . . . . . 33 LEU HD21 . 28054 1 29 . 1 . 1 33 33 LEU HD22 H 1 -0.115 0.000 . 1 . . . . . 33 LEU HD22 . 28054 1 30 . 1 . 1 33 33 LEU HD23 H 1 -0.115 0.000 . 1 . . . . . 33 LEU HD23 . 28054 1 31 . 1 . 1 33 33 LEU CD1 C 13 21.322 0.000 . 1 . . . . . 33 LEU CD1 . 28054 1 32 . 1 . 1 33 33 LEU CD2 C 13 25.736 0.000 . 1 . . . . . 33 LEU CD2 . 28054 1 33 . 1 . 1 35 35 ILE HD11 H 1 0.772 0.000 . 1 . . . . . 35 ILE HD11 . 28054 1 34 . 1 . 1 35 35 ILE HD12 H 1 0.772 0.000 . 1 . . . . . 35 ILE HD12 . 28054 1 35 . 1 . 1 35 35 ILE HD13 H 1 0.772 0.000 . 1 . . . . . 35 ILE HD13 . 28054 1 36 . 1 . 1 35 35 ILE CD1 C 13 13.662 0.000 . 1 . . . . . 35 ILE CD1 . 28054 1 37 . 1 . 1 37 37 VAL HG11 H 1 0.253 0.000 . 1 . . . . . 37 VAL HG11 . 28054 1 38 . 1 . 1 37 37 VAL HG12 H 1 0.253 0.000 . 1 . . . . . 37 VAL HG12 . 28054 1 39 . 1 . 1 37 37 VAL HG13 H 1 0.253 0.000 . 1 . . . . . 37 VAL HG13 . 28054 1 40 . 1 . 1 37 37 VAL HG21 H 1 0.660 0.000 . 1 . . . . . 37 VAL HG21 . 28054 1 41 . 1 . 1 37 37 VAL HG22 H 1 0.660 0.000 . 1 . . . . . 37 VAL HG22 . 28054 1 42 . 1 . 1 37 37 VAL HG23 H 1 0.660 0.000 . 1 . . . . . 37 VAL HG23 . 28054 1 43 . 1 . 1 37 37 VAL CG1 C 13 20.162 0.000 . 1 . . . . . 37 VAL CG1 . 28054 1 44 . 1 . 1 37 37 VAL CG2 C 13 22.113 0.000 . 1 . . . . . 37 VAL CG2 . 28054 1 45 . 1 . 1 41 41 VAL HG11 H 1 0.821 0.000 . 1 . . . . . 41 VAL HG11 . 28054 1 46 . 1 . 1 41 41 VAL HG12 H 1 0.821 0.000 . 1 . . . . . 41 VAL HG12 . 28054 1 47 . 1 . 1 41 41 VAL HG13 H 1 0.821 0.000 . 1 . . . . . 41 VAL HG13 . 28054 1 48 . 1 . 1 41 41 VAL HG21 H 1 0.616 0.000 . 1 . . . . . 41 VAL HG21 . 28054 1 49 . 1 . 1 41 41 VAL HG22 H 1 0.616 0.000 . 1 . . . . . 41 VAL HG22 . 28054 1 50 . 1 . 1 41 41 VAL HG23 H 1 0.616 0.000 . 1 . . . . . 41 VAL HG23 . 28054 1 51 . 1 . 1 41 41 VAL CG1 C 13 21.792 0.000 . 1 . . . . . 41 VAL CG1 . 28054 1 52 . 1 . 1 41 41 VAL CG2 C 13 18.549 0.000 . 1 . . . . . 41 VAL CG2 . 28054 1 53 . 1 . 1 44 44 ILE HD11 H 1 0.518 0.000 . 1 . . . . . 44 ILE HD11 . 28054 1 54 . 1 . 1 44 44 ILE HD12 H 1 0.518 0.000 . 1 . . . . . 44 ILE HD12 . 28054 1 55 . 1 . 1 44 44 ILE HD13 H 1 0.518 0.000 . 1 . . . . . 44 ILE HD13 . 28054 1 56 . 1 . 1 44 44 ILE CD1 C 13 13.649 0.000 . 1 . . . . . 44 ILE CD1 . 28054 1 57 . 1 . 1 45 45 LEU HD11 H 1 0.885 0.000 . 1 . . . . . 45 LEU HD11 . 28054 1 58 . 1 . 1 45 45 LEU HD12 H 1 0.885 0.000 . 1 . . . . . 45 LEU HD12 . 28054 1 59 . 1 . 1 45 45 LEU HD13 H 1 0.885 0.000 . 1 . . . . . 45 LEU HD13 . 28054 1 60 . 1 . 1 45 45 LEU HD21 H 1 0.605 0.000 . 1 . . . . . 45 LEU HD21 . 28054 1 61 . 1 . 1 45 45 LEU HD22 H 1 0.605 0.000 . 1 . . . . . 45 LEU HD22 . 28054 1 62 . 1 . 1 45 45 LEU HD23 H 1 0.605 0.000 . 1 . . . . . 45 LEU HD23 . 28054 1 63 . 1 . 1 45 45 LEU CD1 C 13 23.650 0.000 . 1 . . . . . 45 LEU CD1 . 28054 1 64 . 1 . 1 45 45 LEU CD2 C 13 26.838 0.000 . 1 . . . . . 45 LEU CD2 . 28054 1 65 . 1 . 1 46 46 ILE HD11 H 1 0.787 0.000 . 1 . . . . . 46 ILE HD11 . 28054 1 66 . 1 . 1 46 46 ILE HD12 H 1 0.787 0.000 . 1 . . . . . 46 ILE HD12 . 28054 1 67 . 1 . 1 46 46 ILE HD13 H 1 0.787 0.000 . 1 . . . . . 46 ILE HD13 . 28054 1 68 . 1 . 1 46 46 ILE CD1 C 13 13.982 0.000 . 1 . . . . . 46 ILE CD1 . 28054 1 69 . 1 . 1 50 50 LEU HD11 H 1 0.414 0.000 . 1 . . . . . 50 LEU HD11 . 28054 1 70 . 1 . 1 50 50 LEU HD12 H 1 0.414 0.000 . 1 . . . . . 50 LEU HD12 . 28054 1 71 . 1 . 1 50 50 LEU HD13 H 1 0.414 0.000 . 1 . . . . . 50 LEU HD13 . 28054 1 72 . 1 . 1 50 50 LEU HD21 H 1 0.221 0.000 . 1 . . . . . 50 LEU HD21 . 28054 1 73 . 1 . 1 50 50 LEU HD22 H 1 0.221 0.000 . 1 . . . . . 50 LEU HD22 . 28054 1 74 . 1 . 1 50 50 LEU HD23 H 1 0.221 0.000 . 1 . . . . . 50 LEU HD23 . 28054 1 75 . 1 . 1 50 50 LEU CD1 C 13 25.807 0.000 . 1 . . . . . 50 LEU CD1 . 28054 1 76 . 1 . 1 50 50 LEU CD2 C 13 24.150 0.000 . 1 . . . . . 50 LEU CD2 . 28054 1 77 . 1 . 1 61 61 LEU HD11 H 1 0.765 0.000 . 1 . . . . . 61 LEU HD11 . 28054 1 78 . 1 . 1 61 61 LEU HD12 H 1 0.765 0.000 . 1 . . . . . 61 LEU HD12 . 28054 1 79 . 1 . 1 61 61 LEU HD13 H 1 0.765 0.000 . 1 . . . . . 61 LEU HD13 . 28054 1 80 . 1 . 1 61 61 LEU HD21 H 1 0.776 0.000 . 1 . . . . . 61 LEU HD21 . 28054 1 81 . 1 . 1 61 61 LEU HD22 H 1 0.776 0.000 . 1 . . . . . 61 LEU HD22 . 28054 1 82 . 1 . 1 61 61 LEU HD23 H 1 0.776 0.000 . 1 . . . . . 61 LEU HD23 . 28054 1 83 . 1 . 1 61 61 LEU CD1 C 13 26.041 0.000 . 1 . . . . . 61 LEU CD1 . 28054 1 84 . 1 . 1 61 61 LEU CD2 C 13 24.296 0.000 . 1 . . . . . 61 LEU CD2 . 28054 1 85 . 1 . 1 65 65 ILE HD11 H 1 0.658 0.000 . 1 . . . . . 65 ILE HD11 . 28054 1 86 . 1 . 1 65 65 ILE HD12 H 1 0.658 0.000 . 1 . . . . . 65 ILE HD12 . 28054 1 87 . 1 . 1 65 65 ILE HD13 H 1 0.658 0.000 . 1 . . . . . 65 ILE HD13 . 28054 1 88 . 1 . 1 65 65 ILE CD1 C 13 13.911 0.000 . 1 . . . . . 65 ILE CD1 . 28054 1 89 . 1 . 1 67 67 LEU HD11 H 1 0.978 0.000 . 1 . . . . . 67 LEU HD11 . 28054 1 90 . 1 . 1 67 67 LEU HD12 H 1 0.978 0.000 . 1 . . . . . 67 LEU HD12 . 28054 1 91 . 1 . 1 67 67 LEU HD13 H 1 0.978 0.000 . 1 . . . . . 67 LEU HD13 . 28054 1 92 . 1 . 1 67 67 LEU HD21 H 1 0.761 0.000 . 1 . . . . . 67 LEU HD21 . 28054 1 93 . 1 . 1 67 67 LEU HD22 H 1 0.761 0.000 . 1 . . . . . 67 LEU HD22 . 28054 1 94 . 1 . 1 67 67 LEU HD23 H 1 0.761 0.000 . 1 . . . . . 67 LEU HD23 . 28054 1 95 . 1 . 1 67 67 LEU CD1 C 13 26.773 0.000 . 1 . . . . . 67 LEU CD1 . 28054 1 96 . 1 . 1 67 67 LEU CD2 C 13 23.123 0.000 . 1 . . . . . 67 LEU CD2 . 28054 1 97 . 1 . 1 68 68 LEU HD11 H 1 0.779 0.000 . 1 . . . . . 68 LEU HD11 . 28054 1 98 . 1 . 1 68 68 LEU HD12 H 1 0.779 0.000 . 1 . . . . . 68 LEU HD12 . 28054 1 99 . 1 . 1 68 68 LEU HD13 H 1 0.779 0.000 . 1 . . . . . 68 LEU HD13 . 28054 1 100 . 1 . 1 68 68 LEU HD21 H 1 0.893 0.000 . 1 . . . . . 68 LEU HD21 . 28054 1 101 . 1 . 1 68 68 LEU HD22 H 1 0.893 0.000 . 1 . . . . . 68 LEU HD22 . 28054 1 102 . 1 . 1 68 68 LEU HD23 H 1 0.893 0.000 . 1 . . . . . 68 LEU HD23 . 28054 1 103 . 1 . 1 68 68 LEU CD1 C 13 26.479 0.000 . 1 . . . . . 68 LEU CD1 . 28054 1 104 . 1 . 1 68 68 LEU CD2 C 13 22.221 0.000 . 1 . . . . . 68 LEU CD2 . 28054 1 105 . 1 . 1 70 70 ILE HD11 H 1 0.931 0.000 . 1 . . . . . 70 ILE HD11 . 28054 1 106 . 1 . 1 70 70 ILE HD12 H 1 0.931 0.000 . 1 . . . . . 70 ILE HD12 . 28054 1 107 . 1 . 1 70 70 ILE HD13 H 1 0.931 0.000 . 1 . . . . . 70 ILE HD13 . 28054 1 108 . 1 . 1 70 70 ILE CD1 C 13 13.855 0.000 . 1 . . . . . 70 ILE CD1 . 28054 1 109 . 1 . 1 76 76 ILE HD11 H 1 0.776 0.000 . 1 . . . . . 76 ILE HD11 . 28054 1 110 . 1 . 1 76 76 ILE HD12 H 1 0.776 0.000 . 1 . . . . . 76 ILE HD12 . 28054 1 111 . 1 . 1 76 76 ILE HD13 H 1 0.776 0.000 . 1 . . . . . 76 ILE HD13 . 28054 1 112 . 1 . 1 76 76 ILE CD1 C 13 14.926 0.000 . 1 . . . . . 76 ILE CD1 . 28054 1 113 . 1 . 1 78 78 VAL HG11 H 1 0.736 0.000 . 1 . . . . . 78 VAL HG11 . 28054 1 114 . 1 . 1 78 78 VAL HG12 H 1 0.736 0.000 . 1 . . . . . 78 VAL HG12 . 28054 1 115 . 1 . 1 78 78 VAL HG13 H 1 0.736 0.000 . 1 . . . . . 78 VAL HG13 . 28054 1 116 . 1 . 1 78 78 VAL HG21 H 1 0.836 0.000 . 1 . . . . . 78 VAL HG21 . 28054 1 117 . 1 . 1 78 78 VAL HG22 H 1 0.836 0.000 . 1 . . . . . 78 VAL HG22 . 28054 1 118 . 1 . 1 78 78 VAL HG23 H 1 0.836 0.000 . 1 . . . . . 78 VAL HG23 . 28054 1 119 . 1 . 1 78 78 VAL CG1 C 13 21.689 0.000 . 1 . . . . . 78 VAL CG1 . 28054 1 120 . 1 . 1 78 78 VAL CG2 C 13 20.981 0.000 . 1 . . . . . 78 VAL CG2 . 28054 1 121 . 1 . 1 81 81 ILE HD11 H 1 0.717 0.000 . 1 . . . . . 81 ILE HD11 . 28054 1 122 . 1 . 1 81 81 ILE HD12 H 1 0.717 0.000 . 1 . . . . . 81 ILE HD12 . 28054 1 123 . 1 . 1 81 81 ILE HD13 H 1 0.717 0.000 . 1 . . . . . 81 ILE HD13 . 28054 1 124 . 1 . 1 81 81 ILE CD1 C 13 14.803 0.000 . 1 . . . . . 81 ILE CD1 . 28054 1 125 . 1 . 1 95 95 LEU HD11 H 1 0.775 0.000 . 1 . . . . . 95 LEU HD11 . 28054 1 126 . 1 . 1 95 95 LEU HD12 H 1 0.775 0.000 . 1 . . . . . 95 LEU HD12 . 28054 1 127 . 1 . 1 95 95 LEU HD13 H 1 0.775 0.000 . 1 . . . . . 95 LEU HD13 . 28054 1 128 . 1 . 1 95 95 LEU HD21 H 1 0.817 0.000 . 1 . . . . . 95 LEU HD21 . 28054 1 129 . 1 . 1 95 95 LEU HD22 H 1 0.817 0.000 . 1 . . . . . 95 LEU HD22 . 28054 1 130 . 1 . 1 95 95 LEU HD23 H 1 0.817 0.000 . 1 . . . . . 95 LEU HD23 . 28054 1 131 . 1 . 1 95 95 LEU CD1 C 13 25.589 0.000 . 1 . . . . . 95 LEU CD1 . 28054 1 132 . 1 . 1 95 95 LEU CD2 C 13 22.997 0.000 . 1 . . . . . 95 LEU CD2 . 28054 1 133 . 1 . 1 97 97 LEU HD11 H 1 0.431 0.000 . 1 . . . . . 97 LEU HD11 . 28054 1 134 . 1 . 1 97 97 LEU HD12 H 1 0.431 0.000 . 1 . . . . . 97 LEU HD12 . 28054 1 135 . 1 . 1 97 97 LEU HD13 H 1 0.431 0.000 . 1 . . . . . 97 LEU HD13 . 28054 1 136 . 1 . 1 97 97 LEU HD21 H 1 0.617 0.000 . 1 . . . . . 97 LEU HD21 . 28054 1 137 . 1 . 1 97 97 LEU HD22 H 1 0.617 0.000 . 1 . . . . . 97 LEU HD22 . 28054 1 138 . 1 . 1 97 97 LEU HD23 H 1 0.617 0.000 . 1 . . . . . 97 LEU HD23 . 28054 1 139 . 1 . 1 97 97 LEU CD1 C 13 22.473 0.000 . 1 . . . . . 97 LEU CD1 . 28054 1 140 . 1 . 1 97 97 LEU CD2 C 13 21.577 0.000 . 1 . . . . . 97 LEU CD2 . 28054 1 141 . 1 . 1 98 98 LEU HD11 H 1 0.854 0.000 . 1 . . . . . 98 LEU HD11 . 28054 1 142 . 1 . 1 98 98 LEU HD12 H 1 0.854 0.000 . 1 . . . . . 98 LEU HD12 . 28054 1 143 . 1 . 1 98 98 LEU HD13 H 1 0.854 0.000 . 1 . . . . . 98 LEU HD13 . 28054 1 144 . 1 . 1 98 98 LEU HD21 H 1 0.769 0.000 . 1 . . . . . 98 LEU HD21 . 28054 1 145 . 1 . 1 98 98 LEU HD22 H 1 0.769 0.000 . 1 . . . . . 98 LEU HD22 . 28054 1 146 . 1 . 1 98 98 LEU HD23 H 1 0.769 0.000 . 1 . . . . . 98 LEU HD23 . 28054 1 147 . 1 . 1 98 98 LEU CD1 C 13 25.821 0.000 . 1 . . . . . 98 LEU CD1 . 28054 1 148 . 1 . 1 98 98 LEU CD2 C 13 22.552 0.000 . 1 . . . . . 98 LEU CD2 . 28054 1 149 . 1 . 1 103 103 LEU HD11 H 1 0.729 0.000 . 1 . . . . . 103 LEU HD11 . 28054 1 150 . 1 . 1 103 103 LEU HD12 H 1 0.729 0.000 . 1 . . . . . 103 LEU HD12 . 28054 1 151 . 1 . 1 103 103 LEU HD13 H 1 0.729 0.000 . 1 . . . . . 103 LEU HD13 . 28054 1 152 . 1 . 1 103 103 LEU HD21 H 1 1.017 0.000 . 1 . . . . . 103 LEU HD21 . 28054 1 153 . 1 . 1 103 103 LEU HD22 H 1 1.017 0.000 . 1 . . . . . 103 LEU HD22 . 28054 1 154 . 1 . 1 103 103 LEU HD23 H 1 1.017 0.000 . 1 . . . . . 103 LEU HD23 . 28054 1 155 . 1 . 1 103 103 LEU CD1 C 13 22.067 0.000 . 1 . . . . . 103 LEU CD1 . 28054 1 156 . 1 . 1 103 103 LEU CD2 C 13 27.601 0.000 . 1 . . . . . 103 LEU CD2 . 28054 1 157 . 1 . 1 104 104 VAL HG11 H 1 0.601 0.000 . 1 . . . . . 104 VAL HG11 . 28054 1 158 . 1 . 1 104 104 VAL HG12 H 1 0.601 0.000 . 1 . . . . . 104 VAL HG12 . 28054 1 159 . 1 . 1 104 104 VAL HG13 H 1 0.601 0.000 . 1 . . . . . 104 VAL HG13 . 28054 1 160 . 1 . 1 104 104 VAL HG21 H 1 0.527 0.000 . 1 . . . . . 104 VAL HG21 . 28054 1 161 . 1 . 1 104 104 VAL HG22 H 1 0.527 0.000 . 1 . . . . . 104 VAL HG22 . 28054 1 162 . 1 . 1 104 104 VAL HG23 H 1 0.527 0.000 . 1 . . . . . 104 VAL HG23 . 28054 1 163 . 1 . 1 104 104 VAL CG1 C 13 22.263 0.000 . 1 . . . . . 104 VAL CG1 . 28054 1 164 . 1 . 1 104 104 VAL CG2 C 13 21.387 0.000 . 1 . . . . . 104 VAL CG2 . 28054 1 165 . 1 . 1 106 106 VAL HG11 H 1 0.863 0.000 . 1 . . . . . 106 VAL HG11 . 28054 1 166 . 1 . 1 106 106 VAL HG12 H 1 0.863 0.000 . 1 . . . . . 106 VAL HG12 . 28054 1 167 . 1 . 1 106 106 VAL HG13 H 1 0.863 0.000 . 1 . . . . . 106 VAL HG13 . 28054 1 168 . 1 . 1 106 106 VAL HG21 H 1 0.545 0.000 . 1 . . . . . 106 VAL HG21 . 28054 1 169 . 1 . 1 106 106 VAL HG22 H 1 0.545 0.000 . 1 . . . . . 106 VAL HG22 . 28054 1 170 . 1 . 1 106 106 VAL HG23 H 1 0.545 0.000 . 1 . . . . . 106 VAL HG23 . 28054 1 171 . 1 . 1 106 106 VAL CG1 C 13 21.639 0.000 . 1 . . . . . 106 VAL CG1 . 28054 1 172 . 1 . 1 106 106 VAL CG2 C 13 23.786 0.000 . 1 . . . . . 106 VAL CG2 . 28054 1 173 . 1 . 1 107 107 ILE HD11 H 1 0.561 0.000 . 1 . . . . . 107 ILE HD11 . 28054 1 174 . 1 . 1 107 107 ILE HD12 H 1 0.561 0.000 . 1 . . . . . 107 ILE HD12 . 28054 1 175 . 1 . 1 107 107 ILE HD13 H 1 0.561 0.000 . 1 . . . . . 107 ILE HD13 . 28054 1 176 . 1 . 1 107 107 ILE CD1 C 13 13.664 0.000 . 1 . . . . . 107 ILE CD1 . 28054 1 177 . 1 . 1 109 109 MET HE1 H 1 2.045 0.000 . 1 . . . . . 109 MET HE1 . 28054 1 178 . 1 . 1 109 109 MET HE2 H 1 2.045 0.000 . 1 . . . . . 109 MET HE2 . 28054 1 179 . 1 . 1 109 109 MET HE3 H 1 2.045 0.000 . 1 . . . . . 109 MET HE3 . 28054 1 180 . 1 . 1 109 109 MET CE C 13 17.844 0.000 . 1 . . . . . 109 MET CE . 28054 1 181 . 1 . 1 114 114 VAL HG11 H 1 1.095 0.000 . 1 . . . . . 114 VAL HG11 . 28054 1 182 . 1 . 1 114 114 VAL HG12 H 1 1.095 0.000 . 1 . . . . . 114 VAL HG12 . 28054 1 183 . 1 . 1 114 114 VAL HG13 H 1 1.095 0.000 . 1 . . . . . 114 VAL HG13 . 28054 1 184 . 1 . 1 114 114 VAL HG21 H 1 1.049 0.000 . 1 . . . . . 114 VAL HG21 . 28054 1 185 . 1 . 1 114 114 VAL HG22 H 1 1.049 0.000 . 1 . . . . . 114 VAL HG22 . 28054 1 186 . 1 . 1 114 114 VAL HG23 H 1 1.049 0.000 . 1 . . . . . 114 VAL HG23 . 28054 1 187 . 1 . 1 114 114 VAL CG1 C 13 21.528 0.000 . 1 . . . . . 114 VAL CG1 . 28054 1 188 . 1 . 1 114 114 VAL CG2 C 13 23.595 0.000 . 1 . . . . . 114 VAL CG2 . 28054 1 189 . 1 . 1 119 119 LEU HD11 H 1 0.968 0.000 . 1 . . . . . 119 LEU HD11 . 28054 1 190 . 1 . 1 119 119 LEU HD12 H 1 0.968 0.000 . 1 . . . . . 119 LEU HD12 . 28054 1 191 . 1 . 1 119 119 LEU HD13 H 1 0.968 0.000 . 1 . . . . . 119 LEU HD13 . 28054 1 192 . 1 . 1 119 119 LEU HD21 H 1 1.054 0.000 . 1 . . . . . 119 LEU HD21 . 28054 1 193 . 1 . 1 119 119 LEU HD22 H 1 1.054 0.000 . 1 . . . . . 119 LEU HD22 . 28054 1 194 . 1 . 1 119 119 LEU HD23 H 1 1.054 0.000 . 1 . . . . . 119 LEU HD23 . 28054 1 195 . 1 . 1 119 119 LEU CD1 C 13 23.411 0.000 . 1 . . . . . 119 LEU CD1 . 28054 1 196 . 1 . 1 119 119 LEU CD2 C 13 27.332 0.000 . 1 . . . . . 119 LEU CD2 . 28054 1 197 . 1 . 1 124 124 LEU HD11 H 1 0.958 0.000 . 1 . . . . . 124 LEU HD11 . 28054 1 198 . 1 . 1 124 124 LEU HD12 H 1 0.958 0.000 . 1 . . . . . 124 LEU HD12 . 28054 1 199 . 1 . 1 124 124 LEU HD13 H 1 0.958 0.000 . 1 . . . . . 124 LEU HD13 . 28054 1 200 . 1 . 1 124 124 LEU HD21 H 1 0.754 0.000 . 1 . . . . . 124 LEU HD21 . 28054 1 201 . 1 . 1 124 124 LEU HD22 H 1 0.754 0.000 . 1 . . . . . 124 LEU HD22 . 28054 1 202 . 1 . 1 124 124 LEU HD23 H 1 0.754 0.000 . 1 . . . . . 124 LEU HD23 . 28054 1 203 . 1 . 1 124 124 LEU CD1 C 13 23.568 0.000 . 1 . . . . . 124 LEU CD1 . 28054 1 204 . 1 . 1 124 124 LEU CD2 C 13 25.901 0.000 . 1 . . . . . 124 LEU CD2 . 28054 1 205 . 1 . 1 130 130 LEU HD11 H 1 0.755 0.000 . 1 . . . . . 130 LEU HD11 . 28054 1 206 . 1 . 1 130 130 LEU HD12 H 1 0.755 0.000 . 1 . . . . . 130 LEU HD12 . 28054 1 207 . 1 . 1 130 130 LEU HD13 H 1 0.755 0.000 . 1 . . . . . 130 LEU HD13 . 28054 1 208 . 1 . 1 130 130 LEU HD21 H 1 0.730 0.000 . 1 . . . . . 130 LEU HD21 . 28054 1 209 . 1 . 1 130 130 LEU HD22 H 1 0.730 0.000 . 1 . . . . . 130 LEU HD22 . 28054 1 210 . 1 . 1 130 130 LEU HD23 H 1 0.730 0.000 . 1 . . . . . 130 LEU HD23 . 28054 1 211 . 1 . 1 130 130 LEU CD1 C 13 22.267 0.000 . 1 . . . . . 130 LEU CD1 . 28054 1 212 . 1 . 1 130 130 LEU CD2 C 13 25.763 0.000 . 1 . . . . . 130 LEU CD2 . 28054 1 213 . 1 . 1 131 131 VAL HG11 H 1 0.739 0.000 . 1 . . . . . 131 VAL HG11 . 28054 1 214 . 1 . 1 131 131 VAL HG12 H 1 0.739 0.000 . 1 . . . . . 131 VAL HG12 . 28054 1 215 . 1 . 1 131 131 VAL HG13 H 1 0.739 0.000 . 1 . . . . . 131 VAL HG13 . 28054 1 216 . 1 . 1 131 131 VAL HG21 H 1 0.800 0.000 . 1 . . . . . 131 VAL HG21 . 28054 1 217 . 1 . 1 131 131 VAL HG22 H 1 0.800 0.000 . 1 . . . . . 131 VAL HG22 . 28054 1 218 . 1 . 1 131 131 VAL HG23 H 1 0.800 0.000 . 1 . . . . . 131 VAL HG23 . 28054 1 219 . 1 . 1 131 131 VAL CG1 C 13 20.997 0.000 . 1 . . . . . 131 VAL CG1 . 28054 1 220 . 1 . 1 131 131 VAL CG2 C 13 21.780 0.000 . 1 . . . . . 131 VAL CG2 . 28054 1 221 . 1 . 1 134 134 VAL HG11 H 1 0.843 0.000 . 1 . . . . . 134 VAL HG11 . 28054 1 222 . 1 . 1 134 134 VAL HG12 H 1 0.843 0.000 . 1 . . . . . 134 VAL HG12 . 28054 1 223 . 1 . 1 134 134 VAL HG13 H 1 0.843 0.000 . 1 . . . . . 134 VAL HG13 . 28054 1 224 . 1 . 1 134 134 VAL HG21 H 1 0.552 0.000 . 1 . . . . . 134 VAL HG21 . 28054 1 225 . 1 . 1 134 134 VAL HG22 H 1 0.552 0.000 . 1 . . . . . 134 VAL HG22 . 28054 1 226 . 1 . 1 134 134 VAL HG23 H 1 0.552 0.000 . 1 . . . . . 134 VAL HG23 . 28054 1 227 . 1 . 1 134 134 VAL CG1 C 13 21.661 0.000 . 1 . . . . . 134 VAL CG1 . 28054 1 228 . 1 . 1 134 134 VAL CG2 C 13 21.659 0.000 . 1 . . . . . 134 VAL CG2 . 28054 1 229 . 1 . 1 138 138 LEU HD11 H 1 0.883 0.000 . 1 . . . . . 138 LEU HD11 . 28054 1 230 . 1 . 1 138 138 LEU HD12 H 1 0.883 0.000 . 1 . . . . . 138 LEU HD12 . 28054 1 231 . 1 . 1 138 138 LEU HD13 H 1 0.883 0.000 . 1 . . . . . 138 LEU HD13 . 28054 1 232 . 1 . 1 138 138 LEU HD21 H 1 0.782 0.000 . 1 . . . . . 138 LEU HD21 . 28054 1 233 . 1 . 1 138 138 LEU HD22 H 1 0.782 0.000 . 1 . . . . . 138 LEU HD22 . 28054 1 234 . 1 . 1 138 138 LEU HD23 H 1 0.782 0.000 . 1 . . . . . 138 LEU HD23 . 28054 1 235 . 1 . 1 138 138 LEU CD1 C 13 24.730 0.000 . 1 . . . . . 138 LEU CD1 . 28054 1 236 . 1 . 1 138 138 LEU CD2 C 13 27.247 0.000 . 1 . . . . . 138 LEU CD2 . 28054 1 237 . 1 . 1 140 140 ILE HD11 H 1 -0.818 0.000 . 1 . . . . . 140 ILE HD11 . 28054 1 238 . 1 . 1 140 140 ILE HD12 H 1 -0.818 0.000 . 1 . . . . . 140 ILE HD12 . 28054 1 239 . 1 . 1 140 140 ILE HD13 H 1 -0.818 0.000 . 1 . . . . . 140 ILE HD13 . 28054 1 240 . 1 . 1 140 140 ILE CD1 C 13 13.597 0.000 . 1 . . . . . 140 ILE CD1 . 28054 1 241 . 1 . 1 143 143 MET HE1 H 1 2.065 0.000 . 1 . . . . . 143 MET HE1 . 28054 1 242 . 1 . 1 143 143 MET HE2 H 1 2.065 0.000 . 1 . . . . . 143 MET HE2 . 28054 1 243 . 1 . 1 143 143 MET HE3 H 1 2.065 0.000 . 1 . . . . . 143 MET HE3 . 28054 1 244 . 1 . 1 143 143 MET CE C 13 18.946 0.000 . 1 . . . . . 143 MET CE . 28054 1 245 . 1 . 1 146 146 MET HE1 H 1 0.709 0.000 . 1 . . . . . 146 MET HE1 . 28054 1 246 . 1 . 1 146 146 MET HE2 H 1 0.709 0.000 . 1 . . . . . 146 MET HE2 . 28054 1 247 . 1 . 1 146 146 MET HE3 H 1 0.709 0.000 . 1 . . . . . 146 MET HE3 . 28054 1 248 . 1 . 1 146 146 MET CE C 13 15.600 0.000 . 1 . . . . . 146 MET CE . 28054 1 249 . 1 . 1 157 157 ILE HD11 H 1 0.673 0.000 . 1 . . . . . 157 ILE HD11 . 28054 1 250 . 1 . 1 157 157 ILE HD12 H 1 0.673 0.000 . 1 . . . . . 157 ILE HD12 . 28054 1 251 . 1 . 1 157 157 ILE HD13 H 1 0.673 0.000 . 1 . . . . . 157 ILE HD13 . 28054 1 252 . 1 . 1 157 157 ILE CD1 C 13 13.610 0.000 . 1 . . . . . 157 ILE CD1 . 28054 1 253 . 1 . 1 158 158 LEU HD11 H 1 1.329 0.000 . 1 . . . . . 158 LEU HD11 . 28054 1 254 . 1 . 1 158 158 LEU HD12 H 1 1.329 0.000 . 1 . . . . . 158 LEU HD12 . 28054 1 255 . 1 . 1 158 158 LEU HD13 H 1 1.329 0.000 . 1 . . . . . 158 LEU HD13 . 28054 1 256 . 1 . 1 158 158 LEU HD21 H 1 0.969 0.000 . 1 . . . . . 158 LEU HD21 . 28054 1 257 . 1 . 1 158 158 LEU HD22 H 1 0.969 0.000 . 1 . . . . . 158 LEU HD22 . 28054 1 258 . 1 . 1 158 158 LEU HD23 H 1 0.969 0.000 . 1 . . . . . 158 LEU HD23 . 28054 1 259 . 1 . 1 158 158 LEU CD1 C 13 23.715 0.000 . 1 . . . . . 158 LEU CD1 . 28054 1 260 . 1 . 1 158 158 LEU CD2 C 13 26.493 0.000 . 1 . . . . . 158 LEU CD2 . 28054 1 261 . 1 . 1 161 161 LEU HD11 H 1 0.604 0.000 . 1 . . . . . 161 LEU HD11 . 28054 1 262 . 1 . 1 161 161 LEU HD12 H 1 0.604 0.000 . 1 . . . . . 161 LEU HD12 . 28054 1 263 . 1 . 1 161 161 LEU HD13 H 1 0.604 0.000 . 1 . . . . . 161 LEU HD13 . 28054 1 264 . 1 . 1 161 161 LEU HD21 H 1 0.710 0.000 . 1 . . . . . 161 LEU HD21 . 28054 1 265 . 1 . 1 161 161 LEU HD22 H 1 0.710 0.000 . 1 . . . . . 161 LEU HD22 . 28054 1 266 . 1 . 1 161 161 LEU HD23 H 1 0.710 0.000 . 1 . . . . . 161 LEU HD23 . 28054 1 267 . 1 . 1 161 161 LEU CD1 C 13 23.345 0.000 . 1 . . . . . 161 LEU CD1 . 28054 1 268 . 1 . 1 161 161 LEU CD2 C 13 25.667 0.000 . 1 . . . . . 161 LEU CD2 . 28054 1 269 . 1 . 1 169 169 ILE HD11 H 1 0.392 0.000 . 1 . . . . . 169 ILE HD11 . 28054 1 270 . 1 . 1 169 169 ILE HD12 H 1 0.392 0.000 . 1 . . . . . 169 ILE HD12 . 28054 1 271 . 1 . 1 169 169 ILE HD13 H 1 0.392 0.000 . 1 . . . . . 169 ILE HD13 . 28054 1 272 . 1 . 1 169 169 ILE CD1 C 13 15.549 0.000 . 1 . . . . . 169 ILE CD1 . 28054 1 273 . 1 . 1 170 170 LEU HD11 H 1 0.527 0.000 . 1 . . . . . 170 LEU HD11 . 28054 1 274 . 1 . 1 170 170 LEU HD12 H 1 0.527 0.000 . 1 . . . . . 170 LEU HD12 . 28054 1 275 . 1 . 1 170 170 LEU HD13 H 1 0.527 0.000 . 1 . . . . . 170 LEU HD13 . 28054 1 276 . 1 . 1 170 170 LEU HD21 H 1 -0.230 0.000 . 1 . . . . . 170 LEU HD21 . 28054 1 277 . 1 . 1 170 170 LEU HD22 H 1 -0.230 0.000 . 1 . . . . . 170 LEU HD22 . 28054 1 278 . 1 . 1 170 170 LEU HD23 H 1 -0.230 0.000 . 1 . . . . . 170 LEU HD23 . 28054 1 279 . 1 . 1 170 170 LEU CD1 C 13 26.621 0.000 . 1 . . . . . 170 LEU CD1 . 28054 1 280 . 1 . 1 170 170 LEU CD2 C 13 22.237 0.000 . 1 . . . . . 170 LEU CD2 . 28054 1 281 . 1 . 1 171 171 MET HE1 H 1 1.756 0.000 . 1 . . . . . 171 MET HE1 . 28054 1 282 . 1 . 1 171 171 MET HE2 H 1 1.756 0.000 . 1 . . . . . 171 MET HE2 . 28054 1 283 . 1 . 1 171 171 MET HE3 H 1 1.756 0.000 . 1 . . . . . 171 MET HE3 . 28054 1 284 . 1 . 1 171 171 MET CE C 13 15.140 0.000 . 1 . . . . . 171 MET CE . 28054 1 285 . 1 . 1 172 172 LEU HD11 H 1 0.567 0.000 . 1 . . . . . 172 LEU HD11 . 28054 1 286 . 1 . 1 172 172 LEU HD12 H 1 0.567 0.000 . 1 . . . . . 172 LEU HD12 . 28054 1 287 . 1 . 1 172 172 LEU HD13 H 1 0.567 0.000 . 1 . . . . . 172 LEU HD13 . 28054 1 288 . 1 . 1 172 172 LEU HD21 H 1 0.933 0.000 . 1 . . . . . 172 LEU HD21 . 28054 1 289 . 1 . 1 172 172 LEU HD22 H 1 0.933 0.000 . 1 . . . . . 172 LEU HD22 . 28054 1 290 . 1 . 1 172 172 LEU HD23 H 1 0.933 0.000 . 1 . . . . . 172 LEU HD23 . 28054 1 291 . 1 . 1 172 172 LEU CD1 C 13 27.431 0.000 . 1 . . . . . 172 LEU CD1 . 28054 1 292 . 1 . 1 172 172 LEU CD2 C 13 23.643 0.000 . 1 . . . . . 172 LEU CD2 . 28054 1 293 . 1 . 1 176 176 VAL HG21 H 1 0.709 0.000 . 1 . . . . . 176 VAL HG21 . 28054 1 294 . 1 . 1 176 176 VAL HG22 H 1 0.709 0.000 . 1 . . . . . 176 VAL HG22 . 28054 1 295 . 1 . 1 176 176 VAL HG23 H 1 0.709 0.000 . 1 . . . . . 176 VAL HG23 . 28054 1 296 . 1 . 1 176 176 VAL CG2 C 13 21.520 0.000 . 1 . . . . . 176 VAL CG2 . 28054 1 297 . 1 . 1 179 179 VAL HG11 H 1 0.202 0.000 . 1 . . . . . 179 VAL HG11 . 28054 1 298 . 1 . 1 179 179 VAL HG12 H 1 0.202 0.000 . 1 . . . . . 179 VAL HG12 . 28054 1 299 . 1 . 1 179 179 VAL HG13 H 1 0.202 0.000 . 1 . . . . . 179 VAL HG13 . 28054 1 300 . 1 . 1 179 179 VAL CG1 C 13 20.784 0.000 . 1 . . . . . 179 VAL CG1 . 28054 1 301 . 1 . 1 190 190 ILE HD11 H 1 0.319 0.000 . 1 . . . . . 190 ILE HD11 . 28054 1 302 . 1 . 1 190 190 ILE HD12 H 1 0.319 0.000 . 1 . . . . . 190 ILE HD12 . 28054 1 303 . 1 . 1 190 190 ILE HD13 H 1 0.319 0.000 . 1 . . . . . 190 ILE HD13 . 28054 1 304 . 1 . 1 190 190 ILE CD1 C 13 13.021 0.000 . 1 . . . . . 190 ILE CD1 . 28054 1 305 . 1 . 1 192 192 LEU HD11 H 1 0.558 0.000 . 1 . . . . . 192 LEU HD11 . 28054 1 306 . 1 . 1 192 192 LEU HD12 H 1 0.558 0.000 . 1 . . . . . 192 LEU HD12 . 28054 1 307 . 1 . 1 192 192 LEU HD13 H 1 0.558 0.000 . 1 . . . . . 192 LEU HD13 . 28054 1 308 . 1 . 1 192 192 LEU HD21 H 1 0.413 0.000 . 1 . . . . . 192 LEU HD21 . 28054 1 309 . 1 . 1 192 192 LEU HD22 H 1 0.413 0.000 . 1 . . . . . 192 LEU HD22 . 28054 1 310 . 1 . 1 192 192 LEU HD23 H 1 0.413 0.000 . 1 . . . . . 192 LEU HD23 . 28054 1 311 . 1 . 1 192 192 LEU CD1 C 13 23.990 0.000 . 1 . . . . . 192 LEU CD1 . 28054 1 312 . 1 . 1 192 192 LEU CD2 C 13 26.107 0.000 . 1 . . . . . 192 LEU CD2 . 28054 1 313 . 1 . 1 195 195 LEU HD11 H 1 0.432 0.000 . 1 . . . . . 195 LEU HD11 . 28054 1 314 . 1 . 1 195 195 LEU HD12 H 1 0.432 0.000 . 1 . . . . . 195 LEU HD12 . 28054 1 315 . 1 . 1 195 195 LEU HD13 H 1 0.432 0.000 . 1 . . . . . 195 LEU HD13 . 28054 1 316 . 1 . 1 195 195 LEU HD21 H 1 0.068 0.000 . 1 . . . . . 195 LEU HD21 . 28054 1 317 . 1 . 1 195 195 LEU HD22 H 1 0.068 0.000 . 1 . . . . . 195 LEU HD22 . 28054 1 318 . 1 . 1 195 195 LEU HD23 H 1 0.068 0.000 . 1 . . . . . 195 LEU HD23 . 28054 1 319 . 1 . 1 195 195 LEU CD1 C 13 23.365 0.000 . 1 . . . . . 195 LEU CD1 . 28054 1 320 . 1 . 1 195 195 LEU CD2 C 13 24.566 0.000 . 1 . . . . . 195 LEU CD2 . 28054 1 321 . 1 . 1 200 200 LEU HD11 H 1 0.451 0.000 . 1 . . . . . 200 LEU HD11 . 28054 1 322 . 1 . 1 200 200 LEU HD12 H 1 0.451 0.000 . 1 . . . . . 200 LEU HD12 . 28054 1 323 . 1 . 1 200 200 LEU HD13 H 1 0.451 0.000 . 1 . . . . . 200 LEU HD13 . 28054 1 324 . 1 . 1 200 200 LEU HD21 H 1 0.577 0.000 . 1 . . . . . 200 LEU HD21 . 28054 1 325 . 1 . 1 200 200 LEU HD22 H 1 0.577 0.000 . 1 . . . . . 200 LEU HD22 . 28054 1 326 . 1 . 1 200 200 LEU HD23 H 1 0.577 0.000 . 1 . . . . . 200 LEU HD23 . 28054 1 327 . 1 . 1 200 200 LEU CD1 C 13 26.089 0.000 . 1 . . . . . 200 LEU CD1 . 28054 1 328 . 1 . 1 200 200 LEU CD2 C 13 21.653 0.000 . 1 . . . . . 200 LEU CD2 . 28054 1 329 . 1 . 1 204 204 LEU HD11 H 1 0.682 0.000 . 1 . . . . . 204 LEU HD11 . 28054 1 330 . 1 . 1 204 204 LEU HD12 H 1 0.682 0.000 . 1 . . . . . 204 LEU HD12 . 28054 1 331 . 1 . 1 204 204 LEU HD13 H 1 0.682 0.000 . 1 . . . . . 204 LEU HD13 . 28054 1 332 . 1 . 1 204 204 LEU HD21 H 1 0.536 0.000 . 1 . . . . . 204 LEU HD21 . 28054 1 333 . 1 . 1 204 204 LEU HD22 H 1 0.536 0.000 . 1 . . . . . 204 LEU HD22 . 28054 1 334 . 1 . 1 204 204 LEU HD23 H 1 0.536 0.000 . 1 . . . . . 204 LEU HD23 . 28054 1 335 . 1 . 1 204 204 LEU CD1 C 13 25.077 0.000 . 1 . . . . . 204 LEU CD1 . 28054 1 336 . 1 . 1 204 204 LEU CD2 C 13 24.312 0.000 . 1 . . . . . 204 LEU CD2 . 28054 1 337 . 1 . 1 207 207 ILE HD11 H 1 0.286 0.000 . 1 . . . . . 207 ILE HD11 . 28054 1 338 . 1 . 1 207 207 ILE HD12 H 1 0.286 0.000 . 1 . . . . . 207 ILE HD12 . 28054 1 339 . 1 . 1 207 207 ILE HD13 H 1 0.286 0.000 . 1 . . . . . 207 ILE HD13 . 28054 1 340 . 1 . 1 207 207 ILE CD1 C 13 11.838 0.000 . 1 . . . . . 207 ILE CD1 . 28054 1 341 . 1 . 1 220 220 VAL HG11 H 1 0.582 0.000 . 1 . . . . . 220 VAL HG11 . 28054 1 342 . 1 . 1 220 220 VAL HG12 H 1 0.582 0.000 . 1 . . . . . 220 VAL HG12 . 28054 1 343 . 1 . 1 220 220 VAL HG13 H 1 0.582 0.000 . 1 . . . . . 220 VAL HG13 . 28054 1 344 . 1 . 1 220 220 VAL HG21 H 1 0.436 0.000 . 1 . . . . . 220 VAL HG21 . 28054 1 345 . 1 . 1 220 220 VAL HG22 H 1 0.436 0.000 . 1 . . . . . 220 VAL HG22 . 28054 1 346 . 1 . 1 220 220 VAL HG23 H 1 0.436 0.000 . 1 . . . . . 220 VAL HG23 . 28054 1 347 . 1 . 1 220 220 VAL CG1 C 13 21.325 0.000 . 1 . . . . . 220 VAL CG1 . 28054 1 348 . 1 . 1 220 220 VAL CG2 C 13 20.263 0.000 . 1 . . . . . 220 VAL CG2 . 28054 1 349 . 1 . 1 221 221 VAL HG11 H 1 -0.005 0.000 . 1 . . . . . 221 VAL HG11 . 28054 1 350 . 1 . 1 221 221 VAL HG12 H 1 -0.005 0.000 . 1 . . . . . 221 VAL HG12 . 28054 1 351 . 1 . 1 221 221 VAL HG13 H 1 -0.005 0.000 . 1 . . . . . 221 VAL HG13 . 28054 1 352 . 1 . 1 221 221 VAL HG21 H 1 0.532 0.000 . 1 . . . . . 221 VAL HG21 . 28054 1 353 . 1 . 1 221 221 VAL HG22 H 1 0.532 0.000 . 1 . . . . . 221 VAL HG22 . 28054 1 354 . 1 . 1 221 221 VAL HG23 H 1 0.532 0.000 . 1 . . . . . 221 VAL HG23 . 28054 1 355 . 1 . 1 221 221 VAL CG1 C 13 22.017 0.000 . 1 . . . . . 221 VAL CG1 . 28054 1 356 . 1 . 1 221 221 VAL CG2 C 13 21.590 0.000 . 1 . . . . . 221 VAL CG2 . 28054 1 357 . 1 . 1 226 226 LEU HD11 H 1 0.933 0.000 . 1 . . . . . 226 LEU HD11 . 28054 1 358 . 1 . 1 226 226 LEU HD12 H 1 0.933 0.000 . 1 . . . . . 226 LEU HD12 . 28054 1 359 . 1 . 1 226 226 LEU HD13 H 1 0.933 0.000 . 1 . . . . . 226 LEU HD13 . 28054 1 360 . 1 . 1 226 226 LEU HD21 H 1 0.840 0.000 . 1 . . . . . 226 LEU HD21 . 28054 1 361 . 1 . 1 226 226 LEU HD22 H 1 0.840 0.000 . 1 . . . . . 226 LEU HD22 . 28054 1 362 . 1 . 1 226 226 LEU HD23 H 1 0.840 0.000 . 1 . . . . . 226 LEU HD23 . 28054 1 363 . 1 . 1 226 226 LEU CD1 C 13 26.358 0.000 . 1 . . . . . 226 LEU CD1 . 28054 1 364 . 1 . 1 226 226 LEU CD2 C 13 23.987 0.000 . 1 . . . . . 226 LEU CD2 . 28054 1 365 . 1 . 1 236 236 VAL HG11 H 1 0.447 0.000 . 1 . . . . . 236 VAL HG11 . 28054 1 366 . 1 . 1 236 236 VAL HG12 H 1 0.447 0.000 . 1 . . . . . 236 VAL HG12 . 28054 1 367 . 1 . 1 236 236 VAL HG13 H 1 0.447 0.000 . 1 . . . . . 236 VAL HG13 . 28054 1 368 . 1 . 1 236 236 VAL HG21 H 1 0.474 0.000 . 1 . . . . . 236 VAL HG21 . 28054 1 369 . 1 . 1 236 236 VAL HG22 H 1 0.474 0.000 . 1 . . . . . 236 VAL HG22 . 28054 1 370 . 1 . 1 236 236 VAL HG23 H 1 0.474 0.000 . 1 . . . . . 236 VAL HG23 . 28054 1 371 . 1 . 1 236 236 VAL CG1 C 13 20.892 0.000 . 1 . . . . . 236 VAL CG1 . 28054 1 372 . 1 . 1 236 236 VAL CG2 C 13 20.102 0.000 . 1 . . . . . 236 VAL CG2 . 28054 1 373 . 1 . 1 243 243 ILE HD11 H 1 0.604 0.000 . 1 . . . . . 243 ILE HD11 . 28054 1 374 . 1 . 1 243 243 ILE HD12 H 1 0.604 0.000 . 1 . . . . . 243 ILE HD12 . 28054 1 375 . 1 . 1 243 243 ILE HD13 H 1 0.604 0.000 . 1 . . . . . 243 ILE HD13 . 28054 1 376 . 1 . 1 243 243 ILE CD1 C 13 13.585 0.000 . 1 . . . . . 243 ILE CD1 . 28054 1 377 . 1 . 1 251 251 VAL HG11 H 1 0.919 0.000 . 1 . . . . . 251 VAL HG11 . 28054 1 378 . 1 . 1 251 251 VAL HG12 H 1 0.919 0.000 . 1 . . . . . 251 VAL HG12 . 28054 1 379 . 1 . 1 251 251 VAL HG13 H 1 0.919 0.000 . 1 . . . . . 251 VAL HG13 . 28054 1 380 . 1 . 1 251 251 VAL HG21 H 1 1.011 0.000 . 1 . . . . . 251 VAL HG21 . 28054 1 381 . 1 . 1 251 251 VAL HG22 H 1 1.011 0.000 . 1 . . . . . 251 VAL HG22 . 28054 1 382 . 1 . 1 251 251 VAL HG23 H 1 1.011 0.000 . 1 . . . . . 251 VAL HG23 . 28054 1 383 . 1 . 1 251 251 VAL CG1 C 13 20.739 0.000 . 1 . . . . . 251 VAL CG1 . 28054 1 384 . 1 . 1 251 251 VAL CG2 C 13 21.709 0.000 . 1 . . . . . 251 VAL CG2 . 28054 1 385 . 1 . 1 257 257 ILE HD11 H 1 0.564 0.000 . 1 . . . . . 257 ILE HD11 . 28054 1 386 . 1 . 1 257 257 ILE HD12 H 1 0.564 0.000 . 1 . . . . . 257 ILE HD12 . 28054 1 387 . 1 . 1 257 257 ILE HD13 H 1 0.564 0.000 . 1 . . . . . 257 ILE HD13 . 28054 1 388 . 1 . 1 257 257 ILE CD1 C 13 11.841 0.000 . 1 . . . . . 257 ILE CD1 . 28054 1 389 . 1 . 1 258 258 VAL HG11 H 1 -0.191 0.000 . 1 . . . . . 258 VAL HG11 . 28054 1 390 . 1 . 1 258 258 VAL HG12 H 1 -0.191 0.000 . 1 . . . . . 258 VAL HG12 . 28054 1 391 . 1 . 1 258 258 VAL HG13 H 1 -0.191 0.000 . 1 . . . . . 258 VAL HG13 . 28054 1 392 . 1 . 1 258 258 VAL HG21 H 1 0.243 0.000 . 1 . . . . . 258 VAL HG21 . 28054 1 393 . 1 . 1 258 258 VAL HG22 H 1 0.243 0.000 . 1 . . . . . 258 VAL HG22 . 28054 1 394 . 1 . 1 258 258 VAL HG23 H 1 0.243 0.000 . 1 . . . . . 258 VAL HG23 . 28054 1 395 . 1 . 1 258 258 VAL CG1 C 13 22.158 0.000 . 1 . . . . . 258 VAL CG1 . 28054 1 396 . 1 . 1 258 258 VAL CG2 C 13 20.964 0.000 . 1 . . . . . 258 VAL CG2 . 28054 1 397 . 1 . 1 266 266 VAL HG11 H 1 0.187 0.000 . 1 . . . . . 266 VAL HG11 . 28054 1 398 . 1 . 1 266 266 VAL HG12 H 1 0.187 0.000 . 1 . . . . . 266 VAL HG12 . 28054 1 399 . 1 . 1 266 266 VAL HG13 H 1 0.187 0.000 . 1 . . . . . 266 VAL HG13 . 28054 1 400 . 1 . 1 266 266 VAL HG21 H 1 0.423 0.000 . 1 . . . . . 266 VAL HG21 . 28054 1 401 . 1 . 1 266 266 VAL HG22 H 1 0.423 0.000 . 1 . . . . . 266 VAL HG22 . 28054 1 402 . 1 . 1 266 266 VAL HG23 H 1 0.423 0.000 . 1 . . . . . 266 VAL HG23 . 28054 1 403 . 1 . 1 266 266 VAL CG1 C 13 19.958 0.000 . 1 . . . . . 266 VAL CG1 . 28054 1 404 . 1 . 1 266 266 VAL CG2 C 13 21.358 0.000 . 1 . . . . . 266 VAL CG2 . 28054 1 405 . 1 . 1 268 268 ILE HD11 H 1 0.830 0.000 . 1 . . . . . 268 ILE HD11 . 28054 1 406 . 1 . 1 268 268 ILE HD12 H 1 0.830 0.000 . 1 . . . . . 268 ILE HD12 . 28054 1 407 . 1 . 1 268 268 ILE HD13 H 1 0.830 0.000 . 1 . . . . . 268 ILE HD13 . 28054 1 408 . 1 . 1 268 268 ILE CD1 C 13 13.242 0.000 . 1 . . . . . 268 ILE CD1 . 28054 1 409 . 1 . 1 270 270 VAL HG11 H 1 0.681 0.000 . 1 . . . . . 270 VAL HG11 . 28054 1 410 . 1 . 1 270 270 VAL HG12 H 1 0.681 0.000 . 1 . . . . . 270 VAL HG12 . 28054 1 411 . 1 . 1 270 270 VAL HG13 H 1 0.681 0.000 . 1 . . . . . 270 VAL HG13 . 28054 1 412 . 1 . 1 270 270 VAL HG21 H 1 0.752 0.000 . 1 . . . . . 270 VAL HG21 . 28054 1 413 . 1 . 1 270 270 VAL HG22 H 1 0.752 0.000 . 1 . . . . . 270 VAL HG22 . 28054 1 414 . 1 . 1 270 270 VAL HG23 H 1 0.752 0.000 . 1 . . . . . 270 VAL HG23 . 28054 1 415 . 1 . 1 270 270 VAL CG1 C 13 18.224 0.000 . 1 . . . . . 270 VAL CG1 . 28054 1 416 . 1 . 1 270 270 VAL CG2 C 13 21.912 0.000 . 1 . . . . . 270 VAL CG2 . 28054 1 417 . 1 . 1 274 274 ILE HD11 H 1 1.020 0.000 . 1 . . . . . 274 ILE HD11 . 28054 1 418 . 1 . 1 274 274 ILE HD12 H 1 1.020 0.000 . 1 . . . . . 274 ILE HD12 . 28054 1 419 . 1 . 1 274 274 ILE HD13 H 1 1.020 0.000 . 1 . . . . . 274 ILE HD13 . 28054 1 420 . 1 . 1 274 274 ILE CD1 C 13 12.794 0.000 . 1 . . . . . 274 ILE CD1 . 28054 1 421 . 1 . 1 276 276 VAL HG11 H 1 0.767 0.000 . 1 . . . . . 276 VAL HG11 . 28054 1 422 . 1 . 1 276 276 VAL HG12 H 1 0.767 0.000 . 1 . . . . . 276 VAL HG12 . 28054 1 423 . 1 . 1 276 276 VAL HG13 H 1 0.767 0.000 . 1 . . . . . 276 VAL HG13 . 28054 1 424 . 1 . 1 276 276 VAL HG21 H 1 0.814 0.000 . 1 . . . . . 276 VAL HG21 . 28054 1 425 . 1 . 1 276 276 VAL HG22 H 1 0.814 0.000 . 1 . . . . . 276 VAL HG22 . 28054 1 426 . 1 . 1 276 276 VAL HG23 H 1 0.814 0.000 . 1 . . . . . 276 VAL HG23 . 28054 1 427 . 1 . 1 276 276 VAL CG1 C 13 20.488 0.000 . 1 . . . . . 276 VAL CG1 . 28054 1 428 . 1 . 1 276 276 VAL CG2 C 13 21.651 0.000 . 1 . . . . . 276 VAL CG2 . 28054 1 429 . 1 . 1 278 278 ILE HD11 H 1 0.492 0.000 . 1 . . . . . 278 ILE HD11 . 28054 1 430 . 1 . 1 278 278 ILE HD12 H 1 0.492 0.000 . 1 . . . . . 278 ILE HD12 . 28054 1 431 . 1 . 1 278 278 ILE HD13 H 1 0.492 0.000 . 1 . . . . . 278 ILE HD13 . 28054 1 432 . 1 . 1 278 278 ILE CD1 C 13 15.218 0.000 . 1 . . . . . 278 ILE CD1 . 28054 1 433 . 1 . 1 285 285 ILE HD11 H 1 0.920 0.000 . 1 . . . . . 285 ILE HD11 . 28054 1 434 . 1 . 1 285 285 ILE HD12 H 1 0.920 0.000 . 1 . . . . . 285 ILE HD12 . 28054 1 435 . 1 . 1 285 285 ILE HD13 H 1 0.920 0.000 . 1 . . . . . 285 ILE HD13 . 28054 1 436 . 1 . 1 285 285 ILE CD1 C 13 14.591 0.000 . 1 . . . . . 285 ILE CD1 . 28054 1 437 . 1 . 1 289 289 ILE HD11 H 1 0.564 0.000 . 1 . . . . . 289 ILE HD11 . 28054 1 438 . 1 . 1 289 289 ILE HD12 H 1 0.564 0.000 . 1 . . . . . 289 ILE HD12 . 28054 1 439 . 1 . 1 289 289 ILE HD13 H 1 0.564 0.000 . 1 . . . . . 289 ILE HD13 . 28054 1 440 . 1 . 1 289 289 ILE CD1 C 13 11.663 0.000 . 1 . . . . . 289 ILE CD1 . 28054 1 441 . 1 . 1 292 292 LEU HD11 H 1 0.194 0.000 . 1 . . . . . 292 LEU HD11 . 28054 1 442 . 1 . 1 292 292 LEU HD12 H 1 0.194 0.000 . 1 . . . . . 292 LEU HD12 . 28054 1 443 . 1 . 1 292 292 LEU HD13 H 1 0.194 0.000 . 1 . . . . . 292 LEU HD13 . 28054 1 444 . 1 . 1 292 292 LEU HD21 H 1 -0.178 0.000 . 1 . . . . . 292 LEU HD21 . 28054 1 445 . 1 . 1 292 292 LEU HD22 H 1 -0.178 0.000 . 1 . . . . . 292 LEU HD22 . 28054 1 446 . 1 . 1 292 292 LEU HD23 H 1 -0.178 0.000 . 1 . . . . . 292 LEU HD23 . 28054 1 447 . 1 . 1 292 292 LEU CD1 C 13 25.590 0.000 . 1 . . . . . 292 LEU CD1 . 28054 1 448 . 1 . 1 292 292 LEU CD2 C 13 22.135 0.000 . 1 . . . . . 292 LEU CD2 . 28054 1 449 . 1 . 1 293 293 ILE HD11 H 1 0.799 0.000 . 1 . . . . . 293 ILE HD11 . 28054 1 450 . 1 . 1 293 293 ILE HD12 H 1 0.799 0.000 . 1 . . . . . 293 ILE HD12 . 28054 1 451 . 1 . 1 293 293 ILE HD13 H 1 0.799 0.000 . 1 . . . . . 293 ILE HD13 . 28054 1 452 . 1 . 1 293 293 ILE CD1 C 13 13.564 0.000 . 1 . . . . . 293 ILE CD1 . 28054 1 453 . 1 . 1 295 295 LEU HD11 H 1 0.760 0.000 . 1 . . . . . 295 LEU HD11 . 28054 1 454 . 1 . 1 295 295 LEU HD12 H 1 0.760 0.000 . 1 . . . . . 295 LEU HD12 . 28054 1 455 . 1 . 1 295 295 LEU HD13 H 1 0.760 0.000 . 1 . . . . . 295 LEU HD13 . 28054 1 456 . 1 . 1 295 295 LEU HD21 H 1 0.594 0.000 . 1 . . . . . 295 LEU HD21 . 28054 1 457 . 1 . 1 295 295 LEU HD22 H 1 0.594 0.000 . 1 . . . . . 295 LEU HD22 . 28054 1 458 . 1 . 1 295 295 LEU HD23 H 1 0.594 0.000 . 1 . . . . . 295 LEU HD23 . 28054 1 459 . 1 . 1 295 295 LEU CD1 C 13 22.113 0.000 . 1 . . . . . 295 LEU CD1 . 28054 1 460 . 1 . 1 295 295 LEU CD2 C 13 24.852 0.000 . 1 . . . . . 295 LEU CD2 . 28054 1 461 . 1 . 1 296 296 ILE HD11 H 1 0.531 0.000 . 1 . . . . . 296 ILE HD11 . 28054 1 462 . 1 . 1 296 296 ILE HD12 H 1 0.531 0.000 . 1 . . . . . 296 ILE HD12 . 28054 1 463 . 1 . 1 296 296 ILE HD13 H 1 0.531 0.000 . 1 . . . . . 296 ILE HD13 . 28054 1 464 . 1 . 1 296 296 ILE CD1 C 13 11.600 0.000 . 1 . . . . . 296 ILE CD1 . 28054 1 465 . 1 . 1 302 302 VAL HG11 H 1 0.576 0.000 . 1 . . . . . 302 VAL HG11 . 28054 1 466 . 1 . 1 302 302 VAL HG12 H 1 0.576 0.000 . 1 . . . . . 302 VAL HG12 . 28054 1 467 . 1 . 1 302 302 VAL HG13 H 1 0.576 0.000 . 1 . . . . . 302 VAL HG13 . 28054 1 468 . 1 . 1 302 302 VAL HG21 H 1 0.858 0.000 . 1 . . . . . 302 VAL HG21 . 28054 1 469 . 1 . 1 302 302 VAL HG22 H 1 0.858 0.000 . 1 . . . . . 302 VAL HG22 . 28054 1 470 . 1 . 1 302 302 VAL HG23 H 1 0.858 0.000 . 1 . . . . . 302 VAL HG23 . 28054 1 471 . 1 . 1 302 302 VAL CG1 C 13 21.092 0.000 . 1 . . . . . 302 VAL CG1 . 28054 1 472 . 1 . 1 302 302 VAL CG2 C 13 23.643 0.000 . 1 . . . . . 302 VAL CG2 . 28054 1 473 . 1 . 1 304 304 LEU HD11 H 1 0.534 0.000 . 1 . . . . . 304 LEU HD11 . 28054 1 474 . 1 . 1 304 304 LEU HD12 H 1 0.534 0.000 . 1 . . . . . 304 LEU HD12 . 28054 1 475 . 1 . 1 304 304 LEU HD13 H 1 0.534 0.000 . 1 . . . . . 304 LEU HD13 . 28054 1 476 . 1 . 1 304 304 LEU HD21 H 1 0.481 0.000 . 1 . . . . . 304 LEU HD21 . 28054 1 477 . 1 . 1 304 304 LEU HD22 H 1 0.481 0.000 . 1 . . . . . 304 LEU HD22 . 28054 1 478 . 1 . 1 304 304 LEU HD23 H 1 0.481 0.000 . 1 . . . . . 304 LEU HD23 . 28054 1 479 . 1 . 1 304 304 LEU CD1 C 13 24.814 0.000 . 1 . . . . . 304 LEU CD1 . 28054 1 480 . 1 . 1 304 304 LEU CD2 C 13 24.233 0.000 . 1 . . . . . 304 LEU CD2 . 28054 1 481 . 1 . 1 306 306 ILE HD11 H 1 0.434 0.000 . 1 . . . . . 306 ILE HD11 . 28054 1 482 . 1 . 1 306 306 ILE HD12 H 1 0.434 0.000 . 1 . . . . . 306 ILE HD12 . 28054 1 483 . 1 . 1 306 306 ILE HD13 H 1 0.434 0.000 . 1 . . . . . 306 ILE HD13 . 28054 1 484 . 1 . 1 306 306 ILE CD1 C 13 12.888 0.000 . 1 . . . . . 306 ILE CD1 . 28054 1 485 . 1 . 1 314 314 LEU HD11 H 1 0.551 0.000 . 1 . . . . . 314 LEU HD11 . 28054 1 486 . 1 . 1 314 314 LEU HD12 H 1 0.551 0.000 . 1 . . . . . 314 LEU HD12 . 28054 1 487 . 1 . 1 314 314 LEU HD13 H 1 0.551 0.000 . 1 . . . . . 314 LEU HD13 . 28054 1 488 . 1 . 1 314 314 LEU HD21 H 1 0.580 0.000 . 1 . . . . . 314 LEU HD21 . 28054 1 489 . 1 . 1 314 314 LEU HD22 H 1 0.580 0.000 . 1 . . . . . 314 LEU HD22 . 28054 1 490 . 1 . 1 314 314 LEU HD23 H 1 0.580 0.000 . 1 . . . . . 314 LEU HD23 . 28054 1 491 . 1 . 1 314 314 LEU CD1 C 13 21.646 0.000 . 1 . . . . . 314 LEU CD1 . 28054 1 492 . 1 . 1 314 314 LEU CD2 C 13 23.523 0.000 . 1 . . . . . 314 LEU CD2 . 28054 1 493 . 1 . 1 317 317 ILE HD11 H 1 0.835 0.000 . 1 . . . . . 317 ILE HD11 . 28054 1 494 . 1 . 1 317 317 ILE HD12 H 1 0.835 0.000 . 1 . . . . . 317 ILE HD12 . 28054 1 495 . 1 . 1 317 317 ILE HD13 H 1 0.835 0.000 . 1 . . . . . 317 ILE HD13 . 28054 1 496 . 1 . 1 317 317 ILE CD1 C 13 12.897 0.000 . 1 . . . . . 317 ILE CD1 . 28054 1 497 . 1 . 1 320 320 LEU HD11 H 1 0.755 0.000 . 1 . . . . . 320 LEU HD11 . 28054 1 498 . 1 . 1 320 320 LEU HD12 H 1 0.755 0.000 . 1 . . . . . 320 LEU HD12 . 28054 1 499 . 1 . 1 320 320 LEU HD13 H 1 0.755 0.000 . 1 . . . . . 320 LEU HD13 . 28054 1 500 . 1 . 1 320 320 LEU HD21 H 1 0.788 0.000 . 1 . . . . . 320 LEU HD21 . 28054 1 501 . 1 . 1 320 320 LEU HD22 H 1 0.788 0.000 . 1 . . . . . 320 LEU HD22 . 28054 1 502 . 1 . 1 320 320 LEU HD23 H 1 0.788 0.000 . 1 . . . . . 320 LEU HD23 . 28054 1 503 . 1 . 1 320 320 LEU CD1 C 13 25.242 0.000 . 1 . . . . . 320 LEU CD1 . 28054 1 504 . 1 . 1 320 320 LEU CD2 C 13 22.912 0.000 . 1 . . . . . 320 LEU CD2 . 28054 1 505 . 1 . 1 321 321 LEU HD11 H 1 0.659 0.000 . 1 . . . . . 321 LEU HD11 . 28054 1 506 . 1 . 1 321 321 LEU HD12 H 1 0.659 0.000 . 1 . . . . . 321 LEU HD12 . 28054 1 507 . 1 . 1 321 321 LEU HD13 H 1 0.659 0.000 . 1 . . . . . 321 LEU HD13 . 28054 1 508 . 1 . 1 321 321 LEU HD21 H 1 0.630 0.000 . 1 . . . . . 321 LEU HD21 . 28054 1 509 . 1 . 1 321 321 LEU HD22 H 1 0.630 0.000 . 1 . . . . . 321 LEU HD22 . 28054 1 510 . 1 . 1 321 321 LEU HD23 H 1 0.630 0.000 . 1 . . . . . 321 LEU HD23 . 28054 1 511 . 1 . 1 321 321 LEU CD1 C 13 26.000 0.000 . 1 . . . . . 321 LEU CD1 . 28054 1 512 . 1 . 1 321 321 LEU CD2 C 13 24.492 0.000 . 1 . . . . . 321 LEU CD2 . 28054 1 513 . 1 . 1 323 323 VAL HG11 H 1 0.543 0.000 . 1 . . . . . 323 VAL HG11 . 28054 1 514 . 1 . 1 323 323 VAL HG12 H 1 0.543 0.000 . 1 . . . . . 323 VAL HG12 . 28054 1 515 . 1 . 1 323 323 VAL HG13 H 1 0.543 0.000 . 1 . . . . . 323 VAL HG13 . 28054 1 516 . 1 . 1 323 323 VAL HG21 H 1 0.773 0.000 . 1 . . . . . 323 VAL HG21 . 28054 1 517 . 1 . 1 323 323 VAL HG22 H 1 0.773 0.000 . 1 . . . . . 323 VAL HG22 . 28054 1 518 . 1 . 1 323 323 VAL HG23 H 1 0.773 0.000 . 1 . . . . . 323 VAL HG23 . 28054 1 519 . 1 . 1 323 323 VAL CG1 C 13 19.007 0.000 . 1 . . . . . 323 VAL CG1 . 28054 1 520 . 1 . 1 323 323 VAL CG2 C 13 22.726 0.000 . 1 . . . . . 323 VAL CG2 . 28054 1 521 . 1 . 1 326 326 LEU HD11 H 1 0.727 0.000 . 1 . . . . . 326 LEU HD11 . 28054 1 522 . 1 . 1 326 326 LEU HD12 H 1 0.727 0.000 . 1 . . . . . 326 LEU HD12 . 28054 1 523 . 1 . 1 326 326 LEU HD13 H 1 0.727 0.000 . 1 . . . . . 326 LEU HD13 . 28054 1 524 . 1 . 1 326 326 LEU HD21 H 1 0.524 0.000 . 1 . . . . . 326 LEU HD21 . 28054 1 525 . 1 . 1 326 326 LEU HD22 H 1 0.524 0.000 . 1 . . . . . 326 LEU HD22 . 28054 1 526 . 1 . 1 326 326 LEU HD23 H 1 0.524 0.000 . 1 . . . . . 326 LEU HD23 . 28054 1 527 . 1 . 1 326 326 LEU CD1 C 13 26.847 0.000 . 1 . . . . . 326 LEU CD1 . 28054 1 528 . 1 . 1 326 326 LEU CD2 C 13 23.765 0.000 . 1 . . . . . 326 LEU CD2 . 28054 1 529 . 1 . 1 328 328 ILE HD11 H 1 0.640 0.000 . 1 . . . . . 328 ILE HD11 . 28054 1 530 . 1 . 1 328 328 ILE HD12 H 1 0.640 0.000 . 1 . . . . . 328 ILE HD12 . 28054 1 531 . 1 . 1 328 328 ILE HD13 H 1 0.640 0.000 . 1 . . . . . 328 ILE HD13 . 28054 1 532 . 1 . 1 328 328 ILE CD1 C 13 13.619 0.000 . 1 . . . . . 328 ILE CD1 . 28054 1 533 . 1 . 1 333 333 ILE HD11 H 1 0.702 0.000 . 1 . . . . . 333 ILE HD11 . 28054 1 534 . 1 . 1 333 333 ILE HD12 H 1 0.702 0.000 . 1 . . . . . 333 ILE HD12 . 28054 1 535 . 1 . 1 333 333 ILE HD13 H 1 0.702 0.000 . 1 . . . . . 333 ILE HD13 . 28054 1 536 . 1 . 1 333 333 ILE CD1 C 13 12.641 0.000 . 1 . . . . . 333 ILE CD1 . 28054 1 stop_ save_