data_26739 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26739 _Entry.Title ; NMR Identification of the Binding Surfaces Involved in the Salmonella and Shigella Type III Secretion Tip-Translocon Protein-Protein Interactions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-28 _Entry.Accession_date 2016-01-28 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Ile, leu and val side-chain methyl chemical shift assignments for SipD 39-343 C244S' _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 Andrew McShan . C. . . 26739 2 Kawaljit Kaur . . . . 26739 3 Srirupa Chatterjee . . . . 26739 4 Kevin Knight . M. . . 26739 5 Roberto 'De Guzman' . N. . . 26739 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Kansas' . 26739 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26739 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 26739 '1H chemical shifts' 342 26739 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 . . 2017-01-09 2016-01-28 update BMRB 'update entry citation' 26739 1 . . 2016-07-14 2016-01-28 original author 'original release' 26739 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26739 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27093649 _Citation.Full_citation . _Citation.Title ; NMR Identification of the Binding Surfaces Involved in the Salmonella and Shigella Type III Secretion Tip-Translocon Protein-Protein Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 84 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1097 _Citation.Page_last 1107 _Citation.Year 2016 _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 Andrew McShan . C. . . 26739 1 2 Kawaljit Kaur . . . . 26739 1 3 Srirupa Chatterjee . . . . 26739 1 4 Kevin Knight . M. . . 26739 1 5 Roberto 'De Guzman' . N. . . 26739 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26739 _Assembly.ID 1 _Assembly.Name SipD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 SipD 1 $SipD A . yes native no no . . . 26739 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 3NZZ . . 'X-ray crystallography' . 'Structure of SipD' . 26739 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SipD _Entity.Sf_category entity _Entity.Sf_framecode SipD _Entity.Entry_ID 26739 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SipD _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 ; GHMEHRGTDIISLSQAATKI HQAQQTLQSTPPISEENNDE RTLARQQLTSSLNALAKSGV SLSAEQNENLRSAFSAPTSA LFSASPMAQPRTTISDAEIW DMVSQNISAIGDSYLGVYEN VVAVYTDFYQAFSDILSKMG GWLLPGKDGNTVKLDVTSLK NDLNSLVNKYNQINSNTVLF PAQSGSGVKVATEAEARQWL SELNLPNSSLKSYGSGYVVT VDLTPLQKMVQDIDGLGAPG KDSKLEMDNAKYQAWQSGFK AQEENMKTTLQTLTQKYSNA NSLYDNLVKVLSSTISSSLE TAKSFLQG ; _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 308 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'residues 39 to 343' _Entity.Mutation C244S _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 36 GLY . 26739 1 2 37 HIS . 26739 1 3 38 MET . 26739 1 4 39 GLU . 26739 1 5 40 HIS . 26739 1 6 41 ARG . 26739 1 7 42 GLY . 26739 1 8 43 THR . 26739 1 9 44 ASP . 26739 1 10 45 ILE . 26739 1 11 46 ILE . 26739 1 12 47 SER . 26739 1 13 48 LEU . 26739 1 14 49 SER . 26739 1 15 50 GLN . 26739 1 16 51 ALA . 26739 1 17 52 ALA . 26739 1 18 53 THR . 26739 1 19 54 LYS . 26739 1 20 55 ILE . 26739 1 21 56 HIS . 26739 1 22 57 GLN . 26739 1 23 58 ALA . 26739 1 24 59 GLN . 26739 1 25 60 GLN . 26739 1 26 61 THR . 26739 1 27 62 LEU . 26739 1 28 63 GLN . 26739 1 29 64 SER . 26739 1 30 65 THR . 26739 1 31 66 PRO . 26739 1 32 67 PRO . 26739 1 33 68 ILE . 26739 1 34 69 SER . 26739 1 35 70 GLU . 26739 1 36 71 GLU . 26739 1 37 72 ASN . 26739 1 38 73 ASN . 26739 1 39 74 ASP . 26739 1 40 75 GLU . 26739 1 41 76 ARG . 26739 1 42 77 THR . 26739 1 43 78 LEU . 26739 1 44 79 ALA . 26739 1 45 80 ARG . 26739 1 46 81 GLN . 26739 1 47 82 GLN . 26739 1 48 83 LEU . 26739 1 49 84 THR . 26739 1 50 85 SER . 26739 1 51 86 SER . 26739 1 52 87 LEU . 26739 1 53 88 ASN . 26739 1 54 89 ALA . 26739 1 55 90 LEU . 26739 1 56 91 ALA . 26739 1 57 92 LYS . 26739 1 58 93 SER . 26739 1 59 94 GLY . 26739 1 60 95 VAL . 26739 1 61 96 SER . 26739 1 62 97 LEU . 26739 1 63 98 SER . 26739 1 64 99 ALA . 26739 1 65 100 GLU . 26739 1 66 101 GLN . 26739 1 67 102 ASN . 26739 1 68 103 GLU . 26739 1 69 104 ASN . 26739 1 70 105 LEU . 26739 1 71 106 ARG . 26739 1 72 107 SER . 26739 1 73 108 ALA . 26739 1 74 109 PHE . 26739 1 75 110 SER . 26739 1 76 111 ALA . 26739 1 77 112 PRO . 26739 1 78 113 THR . 26739 1 79 114 SER . 26739 1 80 115 ALA . 26739 1 81 116 LEU . 26739 1 82 117 PHE . 26739 1 83 118 SER . 26739 1 84 119 ALA . 26739 1 85 120 SER . 26739 1 86 121 PRO . 26739 1 87 122 MET . 26739 1 88 123 ALA . 26739 1 89 124 GLN . 26739 1 90 125 PRO . 26739 1 91 126 ARG . 26739 1 92 127 THR . 26739 1 93 128 THR . 26739 1 94 129 ILE . 26739 1 95 130 SER . 26739 1 96 131 ASP . 26739 1 97 132 ALA . 26739 1 98 133 GLU . 26739 1 99 134 ILE . 26739 1 100 135 TRP . 26739 1 101 136 ASP . 26739 1 102 137 MET . 26739 1 103 138 VAL . 26739 1 104 139 SER . 26739 1 105 140 GLN . 26739 1 106 141 ASN . 26739 1 107 142 ILE . 26739 1 108 143 SER . 26739 1 109 144 ALA . 26739 1 110 145 ILE . 26739 1 111 146 GLY . 26739 1 112 147 ASP . 26739 1 113 148 SER . 26739 1 114 149 TYR . 26739 1 115 150 LEU . 26739 1 116 151 GLY . 26739 1 117 152 VAL . 26739 1 118 153 TYR . 26739 1 119 154 GLU . 26739 1 120 155 ASN . 26739 1 121 156 VAL . 26739 1 122 157 VAL . 26739 1 123 158 ALA . 26739 1 124 159 VAL . 26739 1 125 160 TYR . 26739 1 126 161 THR . 26739 1 127 162 ASP . 26739 1 128 163 PHE . 26739 1 129 164 TYR . 26739 1 130 165 GLN . 26739 1 131 166 ALA . 26739 1 132 167 PHE . 26739 1 133 168 SER . 26739 1 134 169 ASP . 26739 1 135 170 ILE . 26739 1 136 171 LEU . 26739 1 137 172 SER . 26739 1 138 173 LYS . 26739 1 139 174 MET . 26739 1 140 175 GLY . 26739 1 141 176 GLY . 26739 1 142 177 TRP . 26739 1 143 178 LEU . 26739 1 144 179 LEU . 26739 1 145 180 PRO . 26739 1 146 181 GLY . 26739 1 147 182 LYS . 26739 1 148 183 ASP . 26739 1 149 184 GLY . 26739 1 150 185 ASN . 26739 1 151 186 THR . 26739 1 152 187 VAL . 26739 1 153 188 LYS . 26739 1 154 189 LEU . 26739 1 155 190 ASP . 26739 1 156 191 VAL . 26739 1 157 192 THR . 26739 1 158 193 SER . 26739 1 159 194 LEU . 26739 1 160 195 LYS . 26739 1 161 196 ASN . 26739 1 162 197 ASP . 26739 1 163 198 LEU . 26739 1 164 199 ASN . 26739 1 165 200 SER . 26739 1 166 201 LEU . 26739 1 167 202 VAL . 26739 1 168 203 ASN . 26739 1 169 204 LYS . 26739 1 170 205 TYR . 26739 1 171 206 ASN . 26739 1 172 207 GLN . 26739 1 173 208 ILE . 26739 1 174 209 ASN . 26739 1 175 210 SER . 26739 1 176 211 ASN . 26739 1 177 212 THR . 26739 1 178 213 VAL . 26739 1 179 214 LEU . 26739 1 180 215 PHE . 26739 1 181 216 PRO . 26739 1 182 217 ALA . 26739 1 183 218 GLN . 26739 1 184 219 SER . 26739 1 185 220 GLY . 26739 1 186 221 SER . 26739 1 187 222 GLY . 26739 1 188 223 VAL . 26739 1 189 224 LYS . 26739 1 190 225 VAL . 26739 1 191 226 ALA . 26739 1 192 227 THR . 26739 1 193 228 GLU . 26739 1 194 229 ALA . 26739 1 195 230 GLU . 26739 1 196 231 ALA . 26739 1 197 232 ARG . 26739 1 198 233 GLN . 26739 1 199 234 TRP . 26739 1 200 235 LEU . 26739 1 201 236 SER . 26739 1 202 237 GLU . 26739 1 203 238 LEU . 26739 1 204 239 ASN . 26739 1 205 240 LEU . 26739 1 206 241 PRO . 26739 1 207 242 ASN . 26739 1 208 243 SER . 26739 1 209 244 SER . 26739 1 210 245 LEU . 26739 1 211 246 LYS . 26739 1 212 247 SER . 26739 1 213 248 TYR . 26739 1 214 249 GLY . 26739 1 215 250 SER . 26739 1 216 251 GLY . 26739 1 217 252 TYR . 26739 1 218 253 VAL . 26739 1 219 254 VAL . 26739 1 220 255 THR . 26739 1 221 256 VAL . 26739 1 222 257 ASP . 26739 1 223 258 LEU . 26739 1 224 259 THR . 26739 1 225 260 PRO . 26739 1 226 261 LEU . 26739 1 227 262 GLN . 26739 1 228 263 LYS . 26739 1 229 264 MET . 26739 1 230 265 VAL . 26739 1 231 266 GLN . 26739 1 232 267 ASP . 26739 1 233 268 ILE . 26739 1 234 269 ASP . 26739 1 235 270 GLY . 26739 1 236 271 LEU . 26739 1 237 272 GLY . 26739 1 238 273 ALA . 26739 1 239 274 PRO . 26739 1 240 275 GLY . 26739 1 241 276 LYS . 26739 1 242 277 ASP . 26739 1 243 278 SER . 26739 1 244 279 LYS . 26739 1 245 280 LEU . 26739 1 246 281 GLU . 26739 1 247 282 MET . 26739 1 248 283 ASP . 26739 1 249 284 ASN . 26739 1 250 285 ALA . 26739 1 251 286 LYS . 26739 1 252 287 TYR . 26739 1 253 288 GLN . 26739 1 254 289 ALA . 26739 1 255 290 TRP . 26739 1 256 291 GLN . 26739 1 257 292 SER . 26739 1 258 293 GLY . 26739 1 259 294 PHE . 26739 1 260 295 LYS . 26739 1 261 296 ALA . 26739 1 262 297 GLN . 26739 1 263 298 GLU . 26739 1 264 299 GLU . 26739 1 265 300 ASN . 26739 1 266 301 MET . 26739 1 267 302 LYS . 26739 1 268 303 THR . 26739 1 269 304 THR . 26739 1 270 305 LEU . 26739 1 271 306 GLN . 26739 1 272 307 THR . 26739 1 273 308 LEU . 26739 1 274 309 THR . 26739 1 275 310 GLN . 26739 1 276 311 LYS . 26739 1 277 312 TYR . 26739 1 278 313 SER . 26739 1 279 314 ASN . 26739 1 280 315 ALA . 26739 1 281 316 ASN . 26739 1 282 317 SER . 26739 1 283 318 LEU . 26739 1 284 319 TYR . 26739 1 285 320 ASP . 26739 1 286 321 ASN . 26739 1 287 322 LEU . 26739 1 288 323 VAL . 26739 1 289 324 LYS . 26739 1 290 325 VAL . 26739 1 291 326 LEU . 26739 1 292 327 SER . 26739 1 293 328 SER . 26739 1 294 329 THR . 26739 1 295 330 ILE . 26739 1 296 331 SER . 26739 1 297 332 SER . 26739 1 298 333 SER . 26739 1 299 334 LEU . 26739 1 300 335 GLU . 26739 1 301 336 THR . 26739 1 302 337 ALA . 26739 1 303 338 LYS . 26739 1 304 339 SER . 26739 1 305 340 PHE . 26739 1 306 341 LEU . 26739 1 307 342 GLN . 26739 1 308 343 GLY . 26739 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 . GLY 1 1 26739 1 . HIS 2 2 26739 1 . MET 3 3 26739 1 . GLU 4 4 26739 1 . HIS 5 5 26739 1 . ARG 6 6 26739 1 . GLY 7 7 26739 1 . THR 8 8 26739 1 . ASP 9 9 26739 1 . ILE 10 10 26739 1 . ILE 11 11 26739 1 . SER 12 12 26739 1 . LEU 13 13 26739 1 . SER 14 14 26739 1 . GLN 15 15 26739 1 . ALA 16 16 26739 1 . ALA 17 17 26739 1 . THR 18 18 26739 1 . LYS 19 19 26739 1 . ILE 20 20 26739 1 . HIS 21 21 26739 1 . GLN 22 22 26739 1 . ALA 23 23 26739 1 . GLN 24 24 26739 1 . GLN 25 25 26739 1 . THR 26 26 26739 1 . LEU 27 27 26739 1 . GLN 28 28 26739 1 . SER 29 29 26739 1 . THR 30 30 26739 1 . PRO 31 31 26739 1 . PRO 32 32 26739 1 . ILE 33 33 26739 1 . SER 34 34 26739 1 . GLU 35 35 26739 1 . GLU 36 36 26739 1 . ASN 37 37 26739 1 . ASN 38 38 26739 1 . ASP 39 39 26739 1 . GLU 40 40 26739 1 . ARG 41 41 26739 1 . THR 42 42 26739 1 . LEU 43 43 26739 1 . ALA 44 44 26739 1 . ARG 45 45 26739 1 . GLN 46 46 26739 1 . GLN 47 47 26739 1 . LEU 48 48 26739 1 . THR 49 49 26739 1 . SER 50 50 26739 1 . SER 51 51 26739 1 . LEU 52 52 26739 1 . ASN 53 53 26739 1 . ALA 54 54 26739 1 . LEU 55 55 26739 1 . ALA 56 56 26739 1 . LYS 57 57 26739 1 . SER 58 58 26739 1 . GLY 59 59 26739 1 . VAL 60 60 26739 1 . SER 61 61 26739 1 . LEU 62 62 26739 1 . SER 63 63 26739 1 . ALA 64 64 26739 1 . GLU 65 65 26739 1 . GLN 66 66 26739 1 . ASN 67 67 26739 1 . GLU 68 68 26739 1 . ASN 69 69 26739 1 . LEU 70 70 26739 1 . ARG 71 71 26739 1 . SER 72 72 26739 1 . ALA 73 73 26739 1 . PHE 74 74 26739 1 . SER 75 75 26739 1 . ALA 76 76 26739 1 . PRO 77 77 26739 1 . THR 78 78 26739 1 . SER 79 79 26739 1 . ALA 80 80 26739 1 . LEU 81 81 26739 1 . PHE 82 82 26739 1 . SER 83 83 26739 1 . ALA 84 84 26739 1 . SER 85 85 26739 1 . PRO 86 86 26739 1 . MET 87 87 26739 1 . ALA 88 88 26739 1 . GLN 89 89 26739 1 . PRO 90 90 26739 1 . ARG 91 91 26739 1 . THR 92 92 26739 1 . THR 93 93 26739 1 . ILE 94 94 26739 1 . SER 95 95 26739 1 . ASP 96 96 26739 1 . ALA 97 97 26739 1 . GLU 98 98 26739 1 . ILE 99 99 26739 1 . TRP 100 100 26739 1 . ASP 101 101 26739 1 . MET 102 102 26739 1 . VAL 103 103 26739 1 . SER 104 104 26739 1 . GLN 105 105 26739 1 . ASN 106 106 26739 1 . ILE 107 107 26739 1 . SER 108 108 26739 1 . ALA 109 109 26739 1 . ILE 110 110 26739 1 . GLY 111 111 26739 1 . ASP 112 112 26739 1 . SER 113 113 26739 1 . TYR 114 114 26739 1 . LEU 115 115 26739 1 . GLY 116 116 26739 1 . VAL 117 117 26739 1 . TYR 118 118 26739 1 . GLU 119 119 26739 1 . ASN 120 120 26739 1 . VAL 121 121 26739 1 . VAL 122 122 26739 1 . ALA 123 123 26739 1 . VAL 124 124 26739 1 . TYR 125 125 26739 1 . THR 126 126 26739 1 . ASP 127 127 26739 1 . PHE 128 128 26739 1 . TYR 129 129 26739 1 . GLN 130 130 26739 1 . ALA 131 131 26739 1 . PHE 132 132 26739 1 . SER 133 133 26739 1 . ASP 134 134 26739 1 . ILE 135 135 26739 1 . LEU 136 136 26739 1 . SER 137 137 26739 1 . LYS 138 138 26739 1 . MET 139 139 26739 1 . GLY 140 140 26739 1 . GLY 141 141 26739 1 . TRP 142 142 26739 1 . LEU 143 143 26739 1 . LEU 144 144 26739 1 . PRO 145 145 26739 1 . GLY 146 146 26739 1 . LYS 147 147 26739 1 . ASP 148 148 26739 1 . GLY 149 149 26739 1 . ASN 150 150 26739 1 . THR 151 151 26739 1 . VAL 152 152 26739 1 . LYS 153 153 26739 1 . LEU 154 154 26739 1 . ASP 155 155 26739 1 . VAL 156 156 26739 1 . THR 157 157 26739 1 . SER 158 158 26739 1 . LEU 159 159 26739 1 . LYS 160 160 26739 1 . ASN 161 161 26739 1 . ASP 162 162 26739 1 . LEU 163 163 26739 1 . ASN 164 164 26739 1 . SER 165 165 26739 1 . LEU 166 166 26739 1 . VAL 167 167 26739 1 . ASN 168 168 26739 1 . LYS 169 169 26739 1 . TYR 170 170 26739 1 . ASN 171 171 26739 1 . GLN 172 172 26739 1 . ILE 173 173 26739 1 . ASN 174 174 26739 1 . SER 175 175 26739 1 . ASN 176 176 26739 1 . THR 177 177 26739 1 . VAL 178 178 26739 1 . LEU 179 179 26739 1 . PHE 180 180 26739 1 . PRO 181 181 26739 1 . ALA 182 182 26739 1 . GLN 183 183 26739 1 . SER 184 184 26739 1 . GLY 185 185 26739 1 . SER 186 186 26739 1 . GLY 187 187 26739 1 . VAL 188 188 26739 1 . LYS 189 189 26739 1 . VAL 190 190 26739 1 . ALA 191 191 26739 1 . THR 192 192 26739 1 . GLU 193 193 26739 1 . ALA 194 194 26739 1 . GLU 195 195 26739 1 . ALA 196 196 26739 1 . ARG 197 197 26739 1 . GLN 198 198 26739 1 . TRP 199 199 26739 1 . LEU 200 200 26739 1 . SER 201 201 26739 1 . GLU 202 202 26739 1 . LEU 203 203 26739 1 . ASN 204 204 26739 1 . LEU 205 205 26739 1 . PRO 206 206 26739 1 . ASN 207 207 26739 1 . SER 208 208 26739 1 . SER 209 209 26739 1 . LEU 210 210 26739 1 . LYS 211 211 26739 1 . SER 212 212 26739 1 . TYR 213 213 26739 1 . GLY 214 214 26739 1 . SER 215 215 26739 1 . GLY 216 216 26739 1 . TYR 217 217 26739 1 . VAL 218 218 26739 1 . VAL 219 219 26739 1 . THR 220 220 26739 1 . VAL 221 221 26739 1 . ASP 222 222 26739 1 . LEU 223 223 26739 1 . THR 224 224 26739 1 . PRO 225 225 26739 1 . LEU 226 226 26739 1 . GLN 227 227 26739 1 . LYS 228 228 26739 1 . MET 229 229 26739 1 . VAL 230 230 26739 1 . GLN 231 231 26739 1 . ASP 232 232 26739 1 . ILE 233 233 26739 1 . ASP 234 234 26739 1 . GLY 235 235 26739 1 . LEU 236 236 26739 1 . GLY 237 237 26739 1 . ALA 238 238 26739 1 . PRO 239 239 26739 1 . GLY 240 240 26739 1 . LYS 241 241 26739 1 . ASP 242 242 26739 1 . SER 243 243 26739 1 . LYS 244 244 26739 1 . LEU 245 245 26739 1 . GLU 246 246 26739 1 . MET 247 247 26739 1 . ASP 248 248 26739 1 . ASN 249 249 26739 1 . ALA 250 250 26739 1 . LYS 251 251 26739 1 . TYR 252 252 26739 1 . GLN 253 253 26739 1 . ALA 254 254 26739 1 . TRP 255 255 26739 1 . GLN 256 256 26739 1 . SER 257 257 26739 1 . GLY 258 258 26739 1 . PHE 259 259 26739 1 . LYS 260 260 26739 1 . ALA 261 261 26739 1 . GLN 262 262 26739 1 . GLU 263 263 26739 1 . GLU 264 264 26739 1 . ASN 265 265 26739 1 . MET 266 266 26739 1 . LYS 267 267 26739 1 . THR 268 268 26739 1 . THR 269 269 26739 1 . LEU 270 270 26739 1 . GLN 271 271 26739 1 . THR 272 272 26739 1 . LEU 273 273 26739 1 . THR 274 274 26739 1 . GLN 275 275 26739 1 . LYS 276 276 26739 1 . TYR 277 277 26739 1 . SER 278 278 26739 1 . ASN 279 279 26739 1 . ALA 280 280 26739 1 . ASN 281 281 26739 1 . SER 282 282 26739 1 . LEU 283 283 26739 1 . TYR 284 284 26739 1 . ASP 285 285 26739 1 . ASN 286 286 26739 1 . LEU 287 287 26739 1 . VAL 288 288 26739 1 . LYS 289 289 26739 1 . VAL 290 290 26739 1 . LEU 291 291 26739 1 . SER 292 292 26739 1 . SER 293 293 26739 1 . THR 294 294 26739 1 . ILE 295 295 26739 1 . SER 296 296 26739 1 . SER 297 297 26739 1 . SER 298 298 26739 1 . LEU 299 299 26739 1 . GLU 300 300 26739 1 . THR 301 301 26739 1 . ALA 302 302 26739 1 . LYS 303 303 26739 1 . SER 304 304 26739 1 . PHE 305 305 26739 1 . LEU 306 306 26739 1 . GLN 307 307 26739 1 . GLY 308 308 26739 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 26739 _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 $SipD . 28901 organism . 'Salmonella typhimurium' 'Salmonella enterica' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . 26739 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 26739 _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 $SipD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 26739 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26739 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; SipD 38-343, Perdeuterated, [U-99% 13C methyl of ILV; U-99% 15N], 0.9 mM ; _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 SipD '[U-2H; U-99% 13C methyl of ILV; U-99% 15N]' . . 1 $SipD . . 0.9 . . % . . . . 26739 1 2 D2O 'natural abundance' . . . . . . 99 . . % . . . . 26739 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 26739 _Sample_condition_list.ID 1 _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' 10 . mM 26739 1 pH 7.4 . pH 26739 1 pressure 1 . atm 26739 1 temperature 303.15 . K 26739 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26739 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26739 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26739 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26739 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26739 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26739 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 26739 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26739 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26739 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 26739 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26739 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26739 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 26739 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external indirect 1 . . . . . 26739 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 26739 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 26739 _Assigned_chem_shift_list.ID 1 _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 '2D 1H-13C HSQC' . . . 26739 1 2 '3D 1H-13C NOESY' . . . 26739 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 10 10 ILE HD11 H 1 0.846 . . . . . . . 45 I HD1 . 26739 1 2 . 1 1 10 10 ILE HD12 H 1 0.846 . . . . . . . 45 I HD1 . 26739 1 3 . 1 1 10 10 ILE HD13 H 1 0.846 . . . . . . . 45 I HD1 . 26739 1 4 . 1 1 10 10 ILE CD1 C 13 13.598 . . . . . . . 45 I CD1 . 26739 1 5 . 1 1 11 11 ILE HD11 H 1 0.819 . . . . . . . 46 I HD1 . 26739 1 6 . 1 1 11 11 ILE HD12 H 1 0.819 . . . . . . . 46 I HD1 . 26739 1 7 . 1 1 11 11 ILE HD13 H 1 0.819 . . . . . . . 46 I HD1 . 26739 1 8 . 1 1 11 11 ILE CD1 C 13 12.439 . . . . . . . 46 I CD1 . 26739 1 9 . 1 1 13 13 LEU HD11 H 1 0.405 . . . . . . . 48 L HD1 . 26739 1 10 . 1 1 13 13 LEU HD12 H 1 0.405 . . . . . . . 48 L HD1 . 26739 1 11 . 1 1 13 13 LEU HD13 H 1 0.405 . . . . . . . 48 L HD1 . 26739 1 12 . 1 1 13 13 LEU HD21 H 1 0.479 . . . . . . . 48 L HD2 . 26739 1 13 . 1 1 13 13 LEU HD22 H 1 0.479 . . . . . . . 48 L HD2 . 26739 1 14 . 1 1 13 13 LEU HD23 H 1 0.479 . . . . . . . 48 L HD2 . 26739 1 15 . 1 1 13 13 LEU CD1 C 13 23.150 . . . . . . . 48 L CD1 . 26739 1 16 . 1 1 13 13 LEU CD2 C 13 24.717 . . . . . . . 48 L CD2 . 26739 1 17 . 1 1 20 20 ILE HD11 H 1 0.692 . . . . . . . 55 I HD1 . 26739 1 18 . 1 1 20 20 ILE HD12 H 1 0.692 . . . . . . . 55 I HD1 . 26739 1 19 . 1 1 20 20 ILE HD13 H 1 0.692 . . . . . . . 55 I HD1 . 26739 1 20 . 1 1 20 20 ILE CD1 C 13 14.399 . . . . . . . 55 I CD1 . 26739 1 21 . 1 1 27 27 LEU HD11 H 1 0.924 . . . . . . . 62 L HD1 . 26739 1 22 . 1 1 27 27 LEU HD12 H 1 0.924 . . . . . . . 62 L HD1 . 26739 1 23 . 1 1 27 27 LEU HD13 H 1 0.924 . . . . . . . 62 L HD1 . 26739 1 24 . 1 1 27 27 LEU HD21 H 1 0.860 . . . . . . . 62 L HD2 . 26739 1 25 . 1 1 27 27 LEU HD22 H 1 0.860 . . . . . . . 62 L HD2 . 26739 1 26 . 1 1 27 27 LEU HD23 H 1 0.860 . . . . . . . 62 L HD2 . 26739 1 27 . 1 1 27 27 LEU CD1 C 13 24.885 . . . . . . . 62 L CD1 . 26739 1 28 . 1 1 27 27 LEU CD2 C 13 26.474 . . . . . . . 62 L CD2 . 26739 1 29 . 1 1 33 33 ILE HD11 H 1 0.836 . . . . . . . 68 I HD1 . 26739 1 30 . 1 1 33 33 ILE HD12 H 1 0.836 . . . . . . . 68 I HD1 . 26739 1 31 . 1 1 33 33 ILE HD13 H 1 0.836 . . . . . . . 68 I HD1 . 26739 1 32 . 1 1 33 33 ILE CD1 C 13 13.019 . . . . . . . 68 I CD1 . 26739 1 33 . 1 1 43 43 LEU HD11 H 1 0.955 . . . . . . . 78 L HD1 . 26739 1 34 . 1 1 43 43 LEU HD12 H 1 0.955 . . . . . . . 78 L HD1 . 26739 1 35 . 1 1 43 43 LEU HD13 H 1 0.955 . . . . . . . 78 L HD1 . 26739 1 36 . 1 1 43 43 LEU HD21 H 1 0.940 . . . . . . . 78 L HD2 . 26739 1 37 . 1 1 43 43 LEU HD22 H 1 0.940 . . . . . . . 78 L HD2 . 26739 1 38 . 1 1 43 43 LEU HD23 H 1 0.940 . . . . . . . 78 L HD2 . 26739 1 39 . 1 1 43 43 LEU CD1 C 13 26.247 . . . . . . . 78 L CD1 . 26739 1 40 . 1 1 43 43 LEU CD2 C 13 22.933 . . . . . . . 78 L CD2 . 26739 1 41 . 1 1 48 48 LEU HD11 H 1 0.726 . . . . . . . 83 L HD1 . 26739 1 42 . 1 1 48 48 LEU HD12 H 1 0.726 . . . . . . . 83 L HD1 . 26739 1 43 . 1 1 48 48 LEU HD13 H 1 0.726 . . . . . . . 83 L HD1 . 26739 1 44 . 1 1 48 48 LEU HD21 H 1 0.462 . . . . . . . 83 L HD2 . 26739 1 45 . 1 1 48 48 LEU HD22 H 1 0.462 . . . . . . . 83 L HD2 . 26739 1 46 . 1 1 48 48 LEU HD23 H 1 0.462 . . . . . . . 83 L HD2 . 26739 1 47 . 1 1 48 48 LEU CD1 C 13 23.711 . . . . . . . 83 L CD1 . 26739 1 48 . 1 1 48 48 LEU CD2 C 13 25.962 . . . . . . . 83 L CD2 . 26739 1 49 . 1 1 52 52 LEU HD11 H 1 0.932 . . . . . . . 87 L HD1 . 26739 1 50 . 1 1 52 52 LEU HD12 H 1 0.932 . . . . . . . 87 L HD1 . 26739 1 51 . 1 1 52 52 LEU HD13 H 1 0.932 . . . . . . . 87 L HD1 . 26739 1 52 . 1 1 52 52 LEU HD21 H 1 1.087 . . . . . . . 87 L HD2 . 26739 1 53 . 1 1 52 52 LEU HD22 H 1 1.087 . . . . . . . 87 L HD2 . 26739 1 54 . 1 1 52 52 LEU HD23 H 1 1.087 . . . . . . . 87 L HD2 . 26739 1 55 . 1 1 52 52 LEU CD1 C 13 25.340 . . . . . . . 87 L CD1 . 26739 1 56 . 1 1 52 52 LEU CD2 C 13 27.217 . . . . . . . 87 L CD2 . 26739 1 57 . 1 1 55 55 LEU HD11 H 1 0.306 . . . . . . . 90 L HD1 . 26739 1 58 . 1 1 55 55 LEU HD12 H 1 0.306 . . . . . . . 90 L HD1 . 26739 1 59 . 1 1 55 55 LEU HD13 H 1 0.306 . . . . . . . 90 L HD1 . 26739 1 60 . 1 1 55 55 LEU HD21 H 1 -0.048 . . . . . . . 90 L HD2 . 26739 1 61 . 1 1 55 55 LEU HD22 H 1 -0.048 . . . . . . . 90 L HD2 . 26739 1 62 . 1 1 55 55 LEU HD23 H 1 -0.048 . . . . . . . 90 L HD2 . 26739 1 63 . 1 1 55 55 LEU CD1 C 13 23.324 . . . . . . . 90 L CD1 . 26739 1 64 . 1 1 55 55 LEU CD2 C 13 24.405 . . . . . . . 90 L CD2 . 26739 1 65 . 1 1 60 60 VAL HG11 H 1 0.684 . . . . . . . 95 V HG1 . 26739 1 66 . 1 1 60 60 VAL HG12 H 1 0.684 . . . . . . . 95 V HG1 . 26739 1 67 . 1 1 60 60 VAL HG13 H 1 0.684 . . . . . . . 95 V HG1 . 26739 1 68 . 1 1 60 60 VAL HG21 H 1 1.002 . . . . . . . 95 V HG2 . 26739 1 69 . 1 1 60 60 VAL HG22 H 1 1.002 . . . . . . . 95 V HG2 . 26739 1 70 . 1 1 60 60 VAL HG23 H 1 1.002 . . . . . . . 95 V HG2 . 26739 1 71 . 1 1 60 60 VAL CG1 C 13 22.281 . . . . . . . 95 V CG1 . 26739 1 72 . 1 1 60 60 VAL CG2 C 13 24.032 . . . . . . . 95 V CG2 . 26739 1 73 . 1 1 62 62 LEU HD11 H 1 0.679 . . . . . . . 97 L HD1 . 26739 1 74 . 1 1 62 62 LEU HD12 H 1 0.679 . . . . . . . 97 L HD1 . 26739 1 75 . 1 1 62 62 LEU HD13 H 1 0.679 . . . . . . . 97 L HD1 . 26739 1 76 . 1 1 62 62 LEU HD21 H 1 0.986 . . . . . . . 97 L HD2 . 26739 1 77 . 1 1 62 62 LEU HD22 H 1 0.986 . . . . . . . 97 L HD2 . 26739 1 78 . 1 1 62 62 LEU HD23 H 1 0.986 . . . . . . . 97 L HD2 . 26739 1 79 . 1 1 62 62 LEU CD1 C 13 25.787 . . . . . . . 97 L CD1 . 26739 1 80 . 1 1 62 62 LEU CD2 C 13 23.313 . . . . . . . 97 L CD2 . 26739 1 81 . 1 1 70 70 LEU HD11 H 1 0.887 . . . . . . . 105 L HD1 . 26739 1 82 . 1 1 70 70 LEU HD12 H 1 0.887 . . . . . . . 105 L HD1 . 26739 1 83 . 1 1 70 70 LEU HD13 H 1 0.887 . . . . . . . 105 L HD1 . 26739 1 84 . 1 1 70 70 LEU HD21 H 1 0.913 . . . . . . . 105 L HD2 . 26739 1 85 . 1 1 70 70 LEU HD22 H 1 0.913 . . . . . . . 105 L HD2 . 26739 1 86 . 1 1 70 70 LEU HD23 H 1 0.913 . . . . . . . 105 L HD2 . 26739 1 87 . 1 1 70 70 LEU CD1 C 13 24.892 . . . . . . . 105 L CD1 . 26739 1 88 . 1 1 70 70 LEU CD2 C 13 25.200 . . . . . . . 105 L CD2 . 26739 1 89 . 1 1 81 81 LEU HD11 H 1 0.573 . . . . . . . 116 L HD1 . 26739 1 90 . 1 1 81 81 LEU HD12 H 1 0.573 . . . . . . . 116 L HD1 . 26739 1 91 . 1 1 81 81 LEU HD13 H 1 0.573 . . . . . . . 116 L HD1 . 26739 1 92 . 1 1 81 81 LEU HD21 H 1 0.963 . . . . . . . 116 L HD2 . 26739 1 93 . 1 1 81 81 LEU HD22 H 1 0.963 . . . . . . . 116 L HD2 . 26739 1 94 . 1 1 81 81 LEU HD23 H 1 0.963 . . . . . . . 116 L HD2 . 26739 1 95 . 1 1 81 81 LEU CD1 C 13 26.368 . . . . . . . 116 L CD1 . 26739 1 96 . 1 1 81 81 LEU CD2 C 13 23.144 . . . . . . . 116 L CD2 . 26739 1 97 . 1 1 94 94 ILE HD11 H 1 0.849 . . . . . . . 129 I HD1 . 26739 1 98 . 1 1 94 94 ILE HD12 H 1 0.849 . . . . . . . 129 I HD1 . 26739 1 99 . 1 1 94 94 ILE HD13 H 1 0.849 . . . . . . . 129 I HD1 . 26739 1 100 . 1 1 94 94 ILE CD1 C 13 13.366 . . . . . . . 129 I CD1 . 26739 1 101 . 1 1 99 99 ILE HD11 H 1 0.767 . . . . . . . 134 I HD1 . 26739 1 102 . 1 1 99 99 ILE HD12 H 1 0.767 . . . . . . . 134 I HD1 . 26739 1 103 . 1 1 99 99 ILE HD13 H 1 0.767 . . . . . . . 134 I HD1 . 26739 1 104 . 1 1 99 99 ILE CD1 C 13 13.328 . . . . . . . 134 I CD1 . 26739 1 105 . 1 1 103 103 VAL HG11 H 1 0.072 . . . . . . . 138 V HG1 . 26739 1 106 . 1 1 103 103 VAL HG12 H 1 0.072 . . . . . . . 138 V HG1 . 26739 1 107 . 1 1 103 103 VAL HG13 H 1 0.072 . . . . . . . 138 V HG1 . 26739 1 108 . 1 1 103 103 VAL HG21 H 1 0.663 . . . . . . . 138 V HG2 . 26739 1 109 . 1 1 103 103 VAL HG22 H 1 0.663 . . . . . . . 138 V HG2 . 26739 1 110 . 1 1 103 103 VAL HG23 H 1 0.663 . . . . . . . 138 V HG2 . 26739 1 111 . 1 1 103 103 VAL CG1 C 13 20.852 . . . . . . . 138 V CG1 . 26739 1 112 . 1 1 103 103 VAL CG2 C 13 26.036 . . . . . . . 138 V CG2 . 26739 1 113 . 1 1 107 107 ILE HD11 H 1 0.626 . . . . . . . 142 I HD1 . 26739 1 114 . 1 1 107 107 ILE HD12 H 1 0.626 . . . . . . . 142 I HD1 . 26739 1 115 . 1 1 107 107 ILE HD13 H 1 0.626 . . . . . . . 142 I HD1 . 26739 1 116 . 1 1 107 107 ILE CD1 C 13 13.221 . . . . . . . 142 I CD1 . 26739 1 117 . 1 1 110 110 ILE HD11 H 1 0.843 . . . . . . . 145 I HD1 . 26739 1 118 . 1 1 110 110 ILE HD12 H 1 0.843 . . . . . . . 145 I HD1 . 26739 1 119 . 1 1 110 110 ILE HD13 H 1 0.843 . . . . . . . 145 I HD1 . 26739 1 120 . 1 1 110 110 ILE CD1 C 13 13.781 . . . . . . . 145 I CD1 . 26739 1 121 . 1 1 115 115 LEU HD11 H 1 0.864 . . . . . . . 150 L HD1 . 26739 1 122 . 1 1 115 115 LEU HD12 H 1 0.864 . . . . . . . 150 L HD1 . 26739 1 123 . 1 1 115 115 LEU HD13 H 1 0.864 . . . . . . . 150 L HD1 . 26739 1 124 . 1 1 115 115 LEU HD21 H 1 0.862 . . . . . . . 150 L HD2 . 26739 1 125 . 1 1 115 115 LEU HD22 H 1 0.862 . . . . . . . 150 L HD2 . 26739 1 126 . 1 1 115 115 LEU HD23 H 1 0.862 . . . . . . . 150 L HD2 . 26739 1 127 . 1 1 115 115 LEU CD1 C 13 24.698 . . . . . . . 150 L CD1 . 26739 1 128 . 1 1 115 115 LEU CD2 C 13 23.158 . . . . . . . 150 L CD2 . 26739 1 129 . 1 1 117 117 VAL HG11 H 1 0.842 . . . . . . . 152 V HG1 . 26739 1 130 . 1 1 117 117 VAL HG12 H 1 0.842 . . . . . . . 152 V HG1 . 26739 1 131 . 1 1 117 117 VAL HG13 H 1 0.842 . . . . . . . 152 V HG1 . 26739 1 132 . 1 1 117 117 VAL HG21 H 1 0.847 . . . . . . . 152 V HG2 . 26739 1 133 . 1 1 117 117 VAL HG22 H 1 0.847 . . . . . . . 152 V HG2 . 26739 1 134 . 1 1 117 117 VAL HG23 H 1 0.847 . . . . . . . 152 V HG2 . 26739 1 135 . 1 1 117 117 VAL CG1 C 13 20.163 . . . . . . . 152 V CG1 . 26739 1 136 . 1 1 117 117 VAL CG2 C 13 21.719 . . . . . . . 152 V CG2 . 26739 1 137 . 1 1 121 121 VAL HG11 H 1 0.953 . . . . . . . 156 V HG1 . 26739 1 138 . 1 1 121 121 VAL HG12 H 1 0.953 . . . . . . . 156 V HG1 . 26739 1 139 . 1 1 121 121 VAL HG13 H 1 0.953 . . . . . . . 156 V HG1 . 26739 1 140 . 1 1 121 121 VAL HG21 H 1 1.121 . . . . . . . 156 V HG2 . 26739 1 141 . 1 1 121 121 VAL HG22 H 1 1.121 . . . . . . . 156 V HG2 . 26739 1 142 . 1 1 121 121 VAL HG23 H 1 1.121 . . . . . . . 156 V HG2 . 26739 1 143 . 1 1 121 121 VAL CG1 C 13 23.683 . . . . . . . 156 V CG1 . 26739 1 144 . 1 1 121 121 VAL CG2 C 13 23.372 . . . . . . . 156 V CG2 . 26739 1 145 . 1 1 122 122 VAL HG11 H 1 0.995 . . . . . . . 157 V HG1 . 26739 1 146 . 1 1 122 122 VAL HG12 H 1 0.995 . . . . . . . 157 V HG1 . 26739 1 147 . 1 1 122 122 VAL HG13 H 1 0.995 . . . . . . . 157 V HG1 . 26739 1 148 . 1 1 122 122 VAL HG21 H 1 0.970 . . . . . . . 157 V HG2 . 26739 1 149 . 1 1 122 122 VAL HG22 H 1 0.970 . . . . . . . 157 V HG2 . 26739 1 150 . 1 1 122 122 VAL HG23 H 1 0.970 . . . . . . . 157 V HG2 . 26739 1 151 . 1 1 122 122 VAL CG1 C 13 22.668 . . . . . . . 157 V CG1 . 26739 1 152 . 1 1 122 122 VAL CG2 C 13 23.895 . . . . . . . 157 V CG2 . 26739 1 153 . 1 1 124 124 VAL HG11 H 1 1.025 . . . . . . . 159 V HG1 . 26739 1 154 . 1 1 124 124 VAL HG12 H 1 1.025 . . . . . . . 159 V HG1 . 26739 1 155 . 1 1 124 124 VAL HG13 H 1 1.025 . . . . . . . 159 V HG1 . 26739 1 156 . 1 1 124 124 VAL HG21 H 1 0.635 . . . . . . . 159 V HG2 . 26739 1 157 . 1 1 124 124 VAL HG22 H 1 0.635 . . . . . . . 159 V HG2 . 26739 1 158 . 1 1 124 124 VAL HG23 H 1 0.635 . . . . . . . 159 V HG2 . 26739 1 159 . 1 1 124 124 VAL CG1 C 13 22.437 . . . . . . . 159 V CG1 . 26739 1 160 . 1 1 124 124 VAL CG2 C 13 21.286 . . . . . . . 159 V CG2 . 26739 1 161 . 1 1 135 135 ILE HD11 H 1 0.979 . . . . . . . 170 I HD1 . 26739 1 162 . 1 1 135 135 ILE HD12 H 1 0.979 . . . . . . . 170 I HD1 . 26739 1 163 . 1 1 135 135 ILE HD13 H 1 0.979 . . . . . . . 170 I HD1 . 26739 1 164 . 1 1 135 135 ILE CD1 C 13 15.056 . . . . . . . 170 I CD1 . 26739 1 165 . 1 1 136 136 LEU HD11 H 1 0.787 . . . . . . . 171 L HD1 . 26739 1 166 . 1 1 136 136 LEU HD12 H 1 0.787 . . . . . . . 171 L HD1 . 26739 1 167 . 1 1 136 136 LEU HD13 H 1 0.787 . . . . . . . 171 L HD1 . 26739 1 168 . 1 1 136 136 LEU HD21 H 1 0.704 . . . . . . . 171 L HD2 . 26739 1 169 . 1 1 136 136 LEU HD22 H 1 0.704 . . . . . . . 171 L HD2 . 26739 1 170 . 1 1 136 136 LEU HD23 H 1 0.704 . . . . . . . 171 L HD2 . 26739 1 171 . 1 1 136 136 LEU CD1 C 13 23.116 . . . . . . . 171 L CD1 . 26739 1 172 . 1 1 136 136 LEU CD2 C 13 25.169 . . . . . . . 171 L CD2 . 26739 1 173 . 1 1 143 143 LEU HD11 H 1 0.805 . . . . . . . 178 L HD1 . 26739 1 174 . 1 1 143 143 LEU HD12 H 1 0.805 . . . . . . . 178 L HD1 . 26739 1 175 . 1 1 143 143 LEU HD13 H 1 0.805 . . . . . . . 178 L HD1 . 26739 1 176 . 1 1 143 143 LEU HD21 H 1 0.702 . . . . . . . 178 L HD2 . 26739 1 177 . 1 1 143 143 LEU HD22 H 1 0.702 . . . . . . . 178 L HD2 . 26739 1 178 . 1 1 143 143 LEU HD23 H 1 0.702 . . . . . . . 178 L HD2 . 26739 1 179 . 1 1 143 143 LEU CD1 C 13 25.348 . . . . . . . 178 L CD1 . 26739 1 180 . 1 1 143 143 LEU CD2 C 13 24.535 . . . . . . . 178 L CD2 . 26739 1 181 . 1 1 144 144 LEU HD11 H 1 0.874 . . . . . . . 179 L HD1 . 26739 1 182 . 1 1 144 144 LEU HD12 H 1 0.874 . . . . . . . 179 L HD1 . 26739 1 183 . 1 1 144 144 LEU HD13 H 1 0.874 . . . . . . . 179 L HD1 . 26739 1 184 . 1 1 144 144 LEU HD21 H 1 0.889 . . . . . . . 179 L HD2 . 26739 1 185 . 1 1 144 144 LEU HD22 H 1 0.889 . . . . . . . 179 L HD2 . 26739 1 186 . 1 1 144 144 LEU HD23 H 1 0.889 . . . . . . . 179 L HD2 . 26739 1 187 . 1 1 144 144 LEU CD1 C 13 24.198 . . . . . . . 179 L CD1 . 26739 1 188 . 1 1 144 144 LEU CD2 C 13 24.311 . . . . . . . 179 L CD2 . 26739 1 189 . 1 1 152 152 VAL HG11 H 1 0.523 . . . . . . . 187 V HG1 . 26739 1 190 . 1 1 152 152 VAL HG12 H 1 0.523 . . . . . . . 187 V HG1 . 26739 1 191 . 1 1 152 152 VAL HG13 H 1 0.523 . . . . . . . 187 V HG1 . 26739 1 192 . 1 1 152 152 VAL HG21 H 1 0.414 . . . . . . . 187 V HG2 . 26739 1 193 . 1 1 152 152 VAL HG22 H 1 0.414 . . . . . . . 187 V HG2 . 26739 1 194 . 1 1 152 152 VAL HG23 H 1 0.414 . . . . . . . 187 V HG2 . 26739 1 195 . 1 1 152 152 VAL CG1 C 13 21.122 . . . . . . . 187 V CG1 . 26739 1 196 . 1 1 152 152 VAL CG2 C 13 19.207 . . . . . . . 187 V CG2 . 26739 1 197 . 1 1 154 154 LEU HD11 H 1 0.100 . . . . . . . 189 L HD1 . 26739 1 198 . 1 1 154 154 LEU HD12 H 1 0.100 . . . . . . . 189 L HD1 . 26739 1 199 . 1 1 154 154 LEU HD13 H 1 0.100 . . . . . . . 189 L HD1 . 26739 1 200 . 1 1 154 154 LEU HD21 H 1 0.805 . . . . . . . 189 L HD2 . 26739 1 201 . 1 1 154 154 LEU HD22 H 1 0.805 . . . . . . . 189 L HD2 . 26739 1 202 . 1 1 154 154 LEU HD23 H 1 0.805 . . . . . . . 189 L HD2 . 26739 1 203 . 1 1 154 154 LEU CD1 C 13 24.530 . . . . . . . 189 L CD1 . 26739 1 204 . 1 1 154 154 LEU CD2 C 13 22.037 . . . . . . . 189 L CD2 . 26739 1 205 . 1 1 156 156 VAL HG11 H 1 0.764 . . . . . . . 191 V HG1 . 26739 1 206 . 1 1 156 156 VAL HG12 H 1 0.764 . . . . . . . 191 V HG1 . 26739 1 207 . 1 1 156 156 VAL HG13 H 1 0.764 . . . . . . . 191 V HG1 . 26739 1 208 . 1 1 156 156 VAL HG21 H 1 0.887 . . . . . . . 191 V HG2 . 26739 1 209 . 1 1 156 156 VAL HG22 H 1 0.887 . . . . . . . 191 V HG2 . 26739 1 210 . 1 1 156 156 VAL HG23 H 1 0.887 . . . . . . . 191 V HG2 . 26739 1 211 . 1 1 156 156 VAL CG1 C 13 23.681 . . . . . . . 191 V CG1 . 26739 1 212 . 1 1 156 156 VAL CG2 C 13 18.956 . . . . . . . 191 V CG2 . 26739 1 213 . 1 1 159 159 LEU HD11 H 1 1.134 . . . . . . . 194 L HD1 . 26739 1 214 . 1 1 159 159 LEU HD12 H 1 1.134 . . . . . . . 194 L HD1 . 26739 1 215 . 1 1 159 159 LEU HD13 H 1 1.134 . . . . . . . 194 L HD1 . 26739 1 216 . 1 1 159 159 LEU HD21 H 1 0.884 . . . . . . . 194 L HD2 . 26739 1 217 . 1 1 159 159 LEU HD22 H 1 0.884 . . . . . . . 194 L HD2 . 26739 1 218 . 1 1 159 159 LEU HD23 H 1 0.884 . . . . . . . 194 L HD2 . 26739 1 219 . 1 1 159 159 LEU CD1 C 13 22.970 . . . . . . . 194 L CD1 . 26739 1 220 . 1 1 159 159 LEU CD2 C 13 27.565 . . . . . . . 194 L CD2 . 26739 1 221 . 1 1 163 163 LEU HD11 H 1 1.031 . . . . . . . 198 L HD1 . 26739 1 222 . 1 1 163 163 LEU HD12 H 1 1.031 . . . . . . . 198 L HD1 . 26739 1 223 . 1 1 163 163 LEU HD13 H 1 1.031 . . . . . . . 198 L HD1 . 26739 1 224 . 1 1 163 163 LEU HD21 H 1 1.196 . . . . . . . 198 L HD2 . 26739 1 225 . 1 1 163 163 LEU HD22 H 1 1.196 . . . . . . . 198 L HD2 . 26739 1 226 . 1 1 163 163 LEU HD23 H 1 1.196 . . . . . . . 198 L HD2 . 26739 1 227 . 1 1 163 163 LEU CD1 C 13 27.449 . . . . . . . 198 L CD1 . 26739 1 228 . 1 1 163 163 LEU CD2 C 13 23.567 . . . . . . . 198 L CD2 . 26739 1 229 . 1 1 166 166 LEU HD11 H 1 0.950 . . . . . . . 201 L HD1 . 26739 1 230 . 1 1 166 166 LEU HD12 H 1 0.950 . . . . . . . 201 L HD1 . 26739 1 231 . 1 1 166 166 LEU HD13 H 1 0.950 . . . . . . . 201 L HD1 . 26739 1 232 . 1 1 166 166 LEU HD21 H 1 1.226 . . . . . . . 201 L HD2 . 26739 1 233 . 1 1 166 166 LEU HD22 H 1 1.226 . . . . . . . 201 L HD2 . 26739 1 234 . 1 1 166 166 LEU HD23 H 1 1.226 . . . . . . . 201 L HD2 . 26739 1 235 . 1 1 166 166 LEU CD1 C 13 26.144 . . . . . . . 201 L CD1 . 26739 1 236 . 1 1 166 166 LEU CD2 C 13 25.557 . . . . . . . 201 L CD2 . 26739 1 237 . 1 1 167 167 VAL HG11 H 1 0.991 . . . . . . . 202 V HG1 . 26739 1 238 . 1 1 167 167 VAL HG12 H 1 0.991 . . . . . . . 202 V HG1 . 26739 1 239 . 1 1 167 167 VAL HG13 H 1 0.991 . . . . . . . 202 V HG1 . 26739 1 240 . 1 1 167 167 VAL HG21 H 1 1.105 . . . . . . . 202 V HG2 . 26739 1 241 . 1 1 167 167 VAL HG22 H 1 1.105 . . . . . . . 202 V HG2 . 26739 1 242 . 1 1 167 167 VAL HG23 H 1 1.105 . . . . . . . 202 V HG2 . 26739 1 243 . 1 1 167 167 VAL CG1 C 13 21.610 . . . . . . . 202 V CG1 . 26739 1 244 . 1 1 167 167 VAL CG2 C 13 24.461 . . . . . . . 202 V CG2 . 26739 1 245 . 1 1 173 173 ILE HD11 H 1 0.678 . . . . . . . 208 I HD1 . 26739 1 246 . 1 1 173 173 ILE HD12 H 1 0.678 . . . . . . . 208 I HD1 . 26739 1 247 . 1 1 173 173 ILE HD13 H 1 0.678 . . . . . . . 208 I HD1 . 26739 1 248 . 1 1 173 173 ILE CD1 C 13 12.874 . . . . . . . 208 I CD1 . 26739 1 249 . 1 1 178 178 VAL HG11 H 1 0.885 . . . . . . . 213 V HG1 . 26739 1 250 . 1 1 178 178 VAL HG12 H 1 0.885 . . . . . . . 213 V HG1 . 26739 1 251 . 1 1 178 178 VAL HG13 H 1 0.885 . . . . . . . 213 V HG1 . 26739 1 252 . 1 1 178 178 VAL HG21 H 1 0.785 . . . . . . . 213 V HG2 . 26739 1 253 . 1 1 178 178 VAL HG22 H 1 0.785 . . . . . . . 213 V HG2 . 26739 1 254 . 1 1 178 178 VAL HG23 H 1 0.785 . . . . . . . 213 V HG2 . 26739 1 255 . 1 1 178 178 VAL CG1 C 13 23.892 . . . . . . . 213 V CG1 . 26739 1 256 . 1 1 178 178 VAL CG2 C 13 23.642 . . . . . . . 213 V CG2 . 26739 1 257 . 1 1 179 179 LEU HD11 H 1 0.931 . . . . . . . 214 L HD1 . 26739 1 258 . 1 1 179 179 LEU HD12 H 1 0.931 . . . . . . . 214 L HD1 . 26739 1 259 . 1 1 179 179 LEU HD13 H 1 0.931 . . . . . . . 214 L HD1 . 26739 1 260 . 1 1 179 179 LEU HD21 H 1 0.922 . . . . . . . 214 L HD2 . 26739 1 261 . 1 1 179 179 LEU HD22 H 1 0.922 . . . . . . . 214 L HD2 . 26739 1 262 . 1 1 179 179 LEU HD23 H 1 0.922 . . . . . . . 214 L HD2 . 26739 1 263 . 1 1 179 179 LEU CD1 C 13 27.633 . . . . . . . 214 L CD1 . 26739 1 264 . 1 1 179 179 LEU CD2 C 13 27.401 . . . . . . . 214 L CD2 . 26739 1 265 . 1 1 188 188 VAL HG11 H 1 0.095 . . . . . . . 223 V HG1 . 26739 1 266 . 1 1 188 188 VAL HG12 H 1 0.095 . . . . . . . 223 V HG1 . 26739 1 267 . 1 1 188 188 VAL HG13 H 1 0.095 . . . . . . . 223 V HG1 . 26739 1 268 . 1 1 188 188 VAL HG21 H 1 0.433 . . . . . . . 223 V HG2 . 26739 1 269 . 1 1 188 188 VAL HG22 H 1 0.433 . . . . . . . 223 V HG2 . 26739 1 270 . 1 1 188 188 VAL HG23 H 1 0.433 . . . . . . . 223 V HG2 . 26739 1 271 . 1 1 188 188 VAL CG1 C 13 20.668 . . . . . . . 223 V CG1 . 26739 1 272 . 1 1 188 188 VAL CG2 C 13 21.393 . . . . . . . 223 V CG2 . 26739 1 273 . 1 1 190 190 VAL HG11 H 1 0.866 . . . . . . . 225 V HG1 . 26739 1 274 . 1 1 190 190 VAL HG12 H 1 0.866 . . . . . . . 225 V HG1 . 26739 1 275 . 1 1 190 190 VAL HG13 H 1 0.866 . . . . . . . 225 V HG1 . 26739 1 276 . 1 1 190 190 VAL HG21 H 1 0.781 . . . . . . . 225 V HG2 . 26739 1 277 . 1 1 190 190 VAL HG22 H 1 0.781 . . . . . . . 225 V HG2 . 26739 1 278 . 1 1 190 190 VAL HG23 H 1 0.781 . . . . . . . 225 V HG2 . 26739 1 279 . 1 1 190 190 VAL CG1 C 13 21.837 . . . . . . . 225 V CG1 . 26739 1 280 . 1 1 190 190 VAL CG2 C 13 17.566 . . . . . . . 225 V CG2 . 26739 1 281 . 1 1 200 200 LEU HD11 H 1 0.794 . . . . . . . 235 L HD1 . 26739 1 282 . 1 1 200 200 LEU HD12 H 1 0.794 . . . . . . . 235 L HD1 . 26739 1 283 . 1 1 200 200 LEU HD13 H 1 0.794 . . . . . . . 235 L HD1 . 26739 1 284 . 1 1 200 200 LEU HD21 H 1 0.877 . . . . . . . 235 L HD2 . 26739 1 285 . 1 1 200 200 LEU HD22 H 1 0.877 . . . . . . . 235 L HD2 . 26739 1 286 . 1 1 200 200 LEU HD23 H 1 0.877 . . . . . . . 235 L HD2 . 26739 1 287 . 1 1 200 200 LEU CD1 C 13 26.247 . . . . . . . 235 L CD1 . 26739 1 288 . 1 1 200 200 LEU CD2 C 13 25.608 . . . . . . . 235 L CD2 . 26739 1 289 . 1 1 203 203 LEU HD11 H 1 0.768 . . . . . . . 238 L HD1 . 26739 1 290 . 1 1 203 203 LEU HD12 H 1 0.768 . . . . . . . 238 L HD1 . 26739 1 291 . 1 1 203 203 LEU HD13 H 1 0.768 . . . . . . . 238 L HD1 . 26739 1 292 . 1 1 203 203 LEU HD21 H 1 0.897 . . . . . . . 238 L HD2 . 26739 1 293 . 1 1 203 203 LEU HD22 H 1 0.897 . . . . . . . 238 L HD2 . 26739 1 294 . 1 1 203 203 LEU HD23 H 1 0.897 . . . . . . . 238 L HD2 . 26739 1 295 . 1 1 203 203 LEU CD1 C 13 25.234 . . . . . . . 238 L CD1 . 26739 1 296 . 1 1 203 203 LEU CD2 C 13 24.044 . . . . . . . 238 L CD2 . 26739 1 297 . 1 1 205 205 LEU HD11 H 1 0.985 . . . . . . . 240 L HD1 . 26739 1 298 . 1 1 205 205 LEU HD12 H 1 0.985 . . . . . . . 240 L HD1 . 26739 1 299 . 1 1 205 205 LEU HD13 H 1 0.985 . . . . . . . 240 L HD1 . 26739 1 300 . 1 1 205 205 LEU HD21 H 1 0.877 . . . . . . . 240 L HD2 . 26739 1 301 . 1 1 205 205 LEU HD22 H 1 0.877 . . . . . . . 240 L HD2 . 26739 1 302 . 1 1 205 205 LEU HD23 H 1 0.877 . . . . . . . 240 L HD2 . 26739 1 303 . 1 1 205 205 LEU CD1 C 13 24.280 . . . . . . . 240 L CD1 . 26739 1 304 . 1 1 205 205 LEU CD2 C 13 24.768 . . . . . . . 240 L CD2 . 26739 1 305 . 1 1 210 210 LEU HD11 H 1 1.150 . . . . . . . 245 L HD1 . 26739 1 306 . 1 1 210 210 LEU HD12 H 1 1.150 . . . . . . . 245 L HD1 . 26739 1 307 . 1 1 210 210 LEU HD13 H 1 1.150 . . . . . . . 245 L HD1 . 26739 1 308 . 1 1 210 210 LEU HD21 H 1 0.837 . . . . . . . 245 L HD2 . 26739 1 309 . 1 1 210 210 LEU HD22 H 1 0.837 . . . . . . . 245 L HD2 . 26739 1 310 . 1 1 210 210 LEU HD23 H 1 0.837 . . . . . . . 245 L HD2 . 26739 1 311 . 1 1 210 210 LEU CD1 C 13 22.712 . . . . . . . 245 L CD1 . 26739 1 312 . 1 1 210 210 LEU CD2 C 13 26.117 . . . . . . . 245 L CD2 . 26739 1 313 . 1 1 218 218 VAL HG11 H 1 0.769 . . . . . . . 253 V HG1 . 26739 1 314 . 1 1 218 218 VAL HG12 H 1 0.769 . . . . . . . 253 V HG1 . 26739 1 315 . 1 1 218 218 VAL HG13 H 1 0.769 . . . . . . . 253 V HG1 . 26739 1 316 . 1 1 218 218 VAL HG21 H 1 0.636 . . . . . . . 253 V HG2 . 26739 1 317 . 1 1 218 218 VAL HG22 H 1 0.636 . . . . . . . 253 V HG2 . 26739 1 318 . 1 1 218 218 VAL HG23 H 1 0.636 . . . . . . . 253 V HG2 . 26739 1 319 . 1 1 218 218 VAL CG1 C 13 22.780 . . . . . . . 253 V CG1 . 26739 1 320 . 1 1 218 218 VAL CG2 C 13 18.676 . . . . . . . 253 V CG2 . 26739 1 321 . 1 1 219 219 VAL HG11 H 1 1.014 . . . . . . . 254 V HG1 . 26739 1 322 . 1 1 219 219 VAL HG12 H 1 1.014 . . . . . . . 254 V HG1 . 26739 1 323 . 1 1 219 219 VAL HG13 H 1 1.014 . . . . . . . 254 V HG1 . 26739 1 324 . 1 1 219 219 VAL HG21 H 1 1.026 . . . . . . . 254 V HG2 . 26739 1 325 . 1 1 219 219 VAL HG22 H 1 1.026 . . . . . . . 254 V HG2 . 26739 1 326 . 1 1 219 219 VAL HG23 H 1 1.026 . . . . . . . 254 V HG2 . 26739 1 327 . 1 1 219 219 VAL CG1 C 13 22.986 . . . . . . . 254 V CG1 . 26739 1 328 . 1 1 219 219 VAL CG2 C 13 22.777 . . . . . . . 254 V CG2 . 26739 1 329 . 1 1 221 221 VAL HG11 H 1 0.224 . . . . . . . 256 V HG1 . 26739 1 330 . 1 1 221 221 VAL HG12 H 1 0.224 . . . . . . . 256 V HG1 . 26739 1 331 . 1 1 221 221 VAL HG13 H 1 0.224 . . . . . . . 256 V HG1 . 26739 1 332 . 1 1 221 221 VAL HG21 H 1 0.017 . . . . . . . 256 V HG2 . 26739 1 333 . 1 1 221 221 VAL HG22 H 1 0.017 . . . . . . . 256 V HG2 . 26739 1 334 . 1 1 221 221 VAL HG23 H 1 0.017 . . . . . . . 256 V HG2 . 26739 1 335 . 1 1 221 221 VAL CG1 C 13 19.436 . . . . . . . 256 V CG1 . 26739 1 336 . 1 1 221 221 VAL CG2 C 13 20.408 . . . . . . . 256 V CG2 . 26739 1 337 . 1 1 223 223 LEU HD11 H 1 0.894 . . . . . . . 258 L HD1 . 26739 1 338 . 1 1 223 223 LEU HD12 H 1 0.894 . . . . . . . 258 L HD1 . 26739 1 339 . 1 1 223 223 LEU HD13 H 1 0.894 . . . . . . . 258 L HD1 . 26739 1 340 . 1 1 223 223 LEU HD21 H 1 0.756 . . . . . . . 258 L HD2 . 26739 1 341 . 1 1 223 223 LEU HD22 H 1 0.756 . . . . . . . 258 L HD2 . 26739 1 342 . 1 1 223 223 LEU HD23 H 1 0.756 . . . . . . . 258 L HD2 . 26739 1 343 . 1 1 223 223 LEU CD1 C 13 26.112 . . . . . . . 258 L CD1 . 26739 1 344 . 1 1 223 223 LEU CD2 C 13 24.465 . . . . . . . 258 L CD2 . 26739 1 345 . 1 1 226 226 LEU HD11 H 1 0.998 . . . . . . . 261 L HD1 . 26739 1 346 . 1 1 226 226 LEU HD12 H 1 0.998 . . . . . . . 261 L HD1 . 26739 1 347 . 1 1 226 226 LEU HD13 H 1 0.998 . . . . . . . 261 L HD1 . 26739 1 348 . 1 1 226 226 LEU HD21 H 1 0.830 . . . . . . . 261 L HD2 . 26739 1 349 . 1 1 226 226 LEU HD22 H 1 0.830 . . . . . . . 261 L HD2 . 26739 1 350 . 1 1 226 226 LEU HD23 H 1 0.830 . . . . . . . 261 L HD2 . 26739 1 351 . 1 1 226 226 LEU CD1 C 13 27.449 . . . . . . . 261 L CD1 . 26739 1 352 . 1 1 226 226 LEU CD2 C 13 25.353 . . . . . . . 261 L CD2 . 26739 1 353 . 1 1 230 230 VAL HG11 H 1 1.094 . . . . . . . 265 V HG1 . 26739 1 354 . 1 1 230 230 VAL HG12 H 1 1.094 . . . . . . . 265 V HG1 . 26739 1 355 . 1 1 230 230 VAL HG13 H 1 1.094 . . . . . . . 265 V HG1 . 26739 1 356 . 1 1 230 230 VAL HG21 H 1 1.011 . . . . . . . 265 V HG2 . 26739 1 357 . 1 1 230 230 VAL HG22 H 1 1.011 . . . . . . . 265 V HG2 . 26739 1 358 . 1 1 230 230 VAL HG23 H 1 1.011 . . . . . . . 265 V HG2 . 26739 1 359 . 1 1 230 230 VAL CG1 C 13 23.800 . . . . . . . 265 V CG1 . 26739 1 360 . 1 1 230 230 VAL CG2 C 13 21.756 . . . . . . . 265 V CG2 . 26739 1 361 . 1 1 233 233 ILE HD11 H 1 0.918 . . . . . . . 268 I HD1 . 26739 1 362 . 1 1 233 233 ILE HD12 H 1 0.918 . . . . . . . 268 I HD1 . 26739 1 363 . 1 1 233 233 ILE HD13 H 1 0.918 . . . . . . . 268 I HD1 . 26739 1 364 . 1 1 233 233 ILE CD1 C 13 15.568 . . . . . . . 268 I CD1 . 26739 1 365 . 1 1 236 236 LEU HD11 H 1 -0.110 . . . . . . . 271 L HD1 . 26739 1 366 . 1 1 236 236 LEU HD12 H 1 -0.110 . . . . . . . 271 L HD1 . 26739 1 367 . 1 1 236 236 LEU HD13 H 1 -0.110 . . . . . . . 271 L HD1 . 26739 1 368 . 1 1 236 236 LEU HD21 H 1 0.796 . . . . . . . 271 L HD2 . 26739 1 369 . 1 1 236 236 LEU HD22 H 1 0.796 . . . . . . . 271 L HD2 . 26739 1 370 . 1 1 236 236 LEU HD23 H 1 0.796 . . . . . . . 271 L HD2 . 26739 1 371 . 1 1 236 236 LEU CD1 C 13 25.621 . . . . . . . 271 L CD1 . 26739 1 372 . 1 1 236 236 LEU CD2 C 13 22.264 . . . . . . . 271 L CD2 . 26739 1 373 . 1 1 245 245 LEU HD11 H 1 0.676 . . . . . . . 280 L HD1 . 26739 1 374 . 1 1 245 245 LEU HD12 H 1 0.676 . . . . . . . 280 L HD1 . 26739 1 375 . 1 1 245 245 LEU HD13 H 1 0.676 . . . . . . . 280 L HD1 . 26739 1 376 . 1 1 245 245 LEU HD21 H 1 0.739 . . . . . . . 280 L HD2 . 26739 1 377 . 1 1 245 245 LEU HD22 H 1 0.739 . . . . . . . 280 L HD2 . 26739 1 378 . 1 1 245 245 LEU HD23 H 1 0.739 . . . . . . . 280 L HD2 . 26739 1 379 . 1 1 245 245 LEU CD1 C 13 27.285 . . . . . . . 280 L CD1 . 26739 1 380 . 1 1 245 245 LEU CD2 C 13 24.454 . . . . . . . 280 L CD2 . 26739 1 381 . 1 1 270 270 LEU HD11 H 1 0.311 . . . . . . . 305 L HD1 . 26739 1 382 . 1 1 270 270 LEU HD12 H 1 0.311 . . . . . . . 305 L HD1 . 26739 1 383 . 1 1 270 270 LEU HD13 H 1 0.311 . . . . . . . 305 L HD1 . 26739 1 384 . 1 1 270 270 LEU HD21 H 1 0.902 . . . . . . . 305 L HD2 . 26739 1 385 . 1 1 270 270 LEU HD22 H 1 0.902 . . . . . . . 305 L HD2 . 26739 1 386 . 1 1 270 270 LEU HD23 H 1 0.902 . . . . . . . 305 L HD2 . 26739 1 387 . 1 1 270 270 LEU CD1 C 13 26.271 . . . . . . . 305 L CD1 . 26739 1 388 . 1 1 270 270 LEU CD2 C 13 26.415 . . . . . . . 305 L CD2 . 26739 1 389 . 1 1 273 273 LEU HD11 H 1 0.897 . . . . . . . 308 L HD1 . 26739 1 390 . 1 1 273 273 LEU HD12 H 1 0.897 . . . . . . . 308 L HD1 . 26739 1 391 . 1 1 273 273 LEU HD13 H 1 0.897 . . . . . . . 308 L HD1 . 26739 1 392 . 1 1 273 273 LEU HD21 H 1 0.900 . . . . . . . 308 L HD2 . 26739 1 393 . 1 1 273 273 LEU HD22 H 1 0.900 . . . . . . . 308 L HD2 . 26739 1 394 . 1 1 273 273 LEU HD23 H 1 0.900 . . . . . . . 308 L HD2 . 26739 1 395 . 1 1 273 273 LEU CD1 C 13 24.602 . . . . . . . 308 L CD1 . 26739 1 396 . 1 1 273 273 LEU CD2 C 13 24.759 . . . . . . . 308 L CD2 . 26739 1 397 . 1 1 283 283 LEU HD11 H 1 0.868 . . . . . . . 318 L HD1 . 26739 1 398 . 1 1 283 283 LEU HD12 H 1 0.868 . . . . . . . 318 L HD1 . 26739 1 399 . 1 1 283 283 LEU HD13 H 1 0.868 . . . . . . . 318 L HD1 . 26739 1 400 . 1 1 283 283 LEU HD21 H 1 0.880 . . . . . . . 318 L HD2 . 26739 1 401 . 1 1 283 283 LEU HD22 H 1 0.880 . . . . . . . 318 L HD2 . 26739 1 402 . 1 1 283 283 LEU HD23 H 1 0.880 . . . . . . . 318 L HD2 . 26739 1 403 . 1 1 283 283 LEU CD1 C 13 23.401 . . . . . . . 318 L CD1 . 26739 1 404 . 1 1 283 283 LEU CD2 C 13 25.184 . . . . . . . 318 L CD2 . 26739 1 405 . 1 1 287 287 LEU HD11 H 1 0.404 . . . . . . . 322 L HD1 . 26739 1 406 . 1 1 287 287 LEU HD12 H 1 0.404 . . . . . . . 322 L HD1 . 26739 1 407 . 1 1 287 287 LEU HD13 H 1 0.404 . . . . . . . 322 L HD1 . 26739 1 408 . 1 1 287 287 LEU HD21 H 1 0.793 . . . . . . . 322 L HD2 . 26739 1 409 . 1 1 287 287 LEU HD22 H 1 0.793 . . . . . . . 322 L HD2 . 26739 1 410 . 1 1 287 287 LEU HD23 H 1 0.793 . . . . . . . 322 L HD2 . 26739 1 411 . 1 1 287 287 LEU CD1 C 13 26.136 . . . . . . . 322 L CD1 . 26739 1 412 . 1 1 287 287 LEU CD2 C 13 22.677 . . . . . . . 322 L CD2 . 26739 1 413 . 1 1 288 288 VAL HG11 H 1 0.300 . . . . . . . 323 V HG1 . 26739 1 414 . 1 1 288 288 VAL HG12 H 1 0.300 . . . . . . . 323 V HG1 . 26739 1 415 . 1 1 288 288 VAL HG13 H 1 0.300 . . . . . . . 323 V HG1 . 26739 1 416 . 1 1 288 288 VAL HG21 H 1 0.616 . . . . . . . 323 V HG2 . 26739 1 417 . 1 1 288 288 VAL HG22 H 1 0.616 . . . . . . . 323 V HG2 . 26739 1 418 . 1 1 288 288 VAL HG23 H 1 0.616 . . . . . . . 323 V HG2 . 26739 1 419 . 1 1 288 288 VAL CG1 C 13 21.740 . . . . . . . 323 V CG1 . 26739 1 420 . 1 1 288 288 VAL CG2 C 13 22.478 . . . . . . . 323 V CG2 . 26739 1 421 . 1 1 290 290 VAL HG11 H 1 0.908 . . . . . . . 325 V HG1 . 26739 1 422 . 1 1 290 290 VAL HG12 H 1 0.908 . . . . . . . 325 V HG1 . 26739 1 423 . 1 1 290 290 VAL HG13 H 1 0.908 . . . . . . . 325 V HG1 . 26739 1 424 . 1 1 290 290 VAL HG21 H 1 1.041 . . . . . . . 325 V HG2 . 26739 1 425 . 1 1 290 290 VAL HG22 H 1 1.041 . . . . . . . 325 V HG2 . 26739 1 426 . 1 1 290 290 VAL HG23 H 1 1.041 . . . . . . . 325 V HG2 . 26739 1 427 . 1 1 290 290 VAL CG1 C 13 21.076 . . . . . . . 325 V CG1 . 26739 1 428 . 1 1 290 290 VAL CG2 C 13 22.182 . . . . . . . 325 V CG2 . 26739 1 429 . 1 1 291 291 LEU HD11 H 1 0.902 . . . . . . . 326 L HD1 . 26739 1 430 . 1 1 291 291 LEU HD12 H 1 0.902 . . . . . . . 326 L HD1 . 26739 1 431 . 1 1 291 291 LEU HD13 H 1 0.902 . . . . . . . 326 L HD1 . 26739 1 432 . 1 1 291 291 LEU HD21 H 1 1.002 . . . . . . . 326 L HD2 . 26739 1 433 . 1 1 291 291 LEU HD22 H 1 1.002 . . . . . . . 326 L HD2 . 26739 1 434 . 1 1 291 291 LEU HD23 H 1 1.002 . . . . . . . 326 L HD2 . 26739 1 435 . 1 1 291 291 LEU CD1 C 13 23.234 . . . . . . . 326 L CD1 . 26739 1 436 . 1 1 291 291 LEU CD2 C 13 25.197 . . . . . . . 326 L CD2 . 26739 1 437 . 1 1 295 295 ILE HD11 H 1 0.719 . . . . . . . 330 I HD1 . 26739 1 438 . 1 1 295 295 ILE HD12 H 1 0.719 . . . . . . . 330 I HD1 . 26739 1 439 . 1 1 295 295 ILE HD13 H 1 0.719 . . . . . . . 330 I HD1 . 26739 1 440 . 1 1 295 295 ILE CD1 C 13 13.501 . . . . . . . 330 I CD1 . 26739 1 441 . 1 1 299 299 LEU HD11 H 1 0.939 . . . . . . . 334 L HD1 . 26739 1 442 . 1 1 299 299 LEU HD12 H 1 0.939 . . . . . . . 334 L HD1 . 26739 1 443 . 1 1 299 299 LEU HD13 H 1 0.939 . . . . . . . 334 L HD1 . 26739 1 444 . 1 1 299 299 LEU HD21 H 1 0.979 . . . . . . . 334 L HD2 . 26739 1 445 . 1 1 299 299 LEU HD22 H 1 0.979 . . . . . . . 334 L HD2 . 26739 1 446 . 1 1 299 299 LEU HD23 H 1 0.979 . . . . . . . 334 L HD2 . 26739 1 447 . 1 1 299 299 LEU CD1 C 13 22.320 . . . . . . . 334 L CD1 . 26739 1 448 . 1 1 299 299 LEU CD2 C 13 21.264 . . . . . . . 334 L CD2 . 26739 1 449 . 1 1 306 306 LEU HD11 H 1 0.920 . . . . . . . 341 L HD1 . 26739 1 450 . 1 1 306 306 LEU HD12 H 1 0.920 . . . . . . . 341 L HD1 . 26739 1 451 . 1 1 306 306 LEU HD13 H 1 0.920 . . . . . . . 341 L HD1 . 26739 1 452 . 1 1 306 306 LEU HD21 H 1 0.910 . . . . . . . 341 L HD2 . 26739 1 453 . 1 1 306 306 LEU HD22 H 1 0.910 . . . . . . . 341 L HD2 . 26739 1 454 . 1 1 306 306 LEU HD23 H 1 0.910 . . . . . . . 341 L HD2 . 26739 1 455 . 1 1 306 306 LEU CD1 C 13 24.234 . . . . . . . 341 L CD1 . 26739 1 456 . 1 1 306 306 LEU CD2 C 13 25.049 . . . . . . . 341 L CD2 . 26739 1 stop_ save_