data_52652 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52652 _Entry.Title ; 1H and 13C chemical-shift assignments for the Ile, Leu, Val and Met methyl-groups of the BN-BC of the Tomaymycin non-ribosomal peptide synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-23 _Entry.Accession_date 2024-10-23 _Entry.Last_release_date 2024-10-23 _Entry.Original_release_date 2024-10-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H and 13C chemical-shift assignments for the Ile, Leu, Val and Met methyl-groups of the BN-BC of the Tomaymycin non-ribosomal peptide synthetase ; _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 John Kirkpatrick . P. . 0000-0002-9761-3377 52652 2 Megha Karanth . N. . 0000-0003-3392-6523 52652 3 Teresa Carlomagno . . . 0000-0002-2437-2760 52652 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'School of Biosciences, College of Life and Environmental Sciences, University of Birmingham' . 52652 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52652 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 52652 '1H chemical shifts' 678 52652 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-06-16 . original BMRB . 52652 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34870 'Chemical shift assignments of isolated BN domain' 52652 PDB 8qnf 'Crystallographic structure of BC domain (N-form)' 52652 PDB 8qsx 'Solution-NMR structure of isolated BN domain' 52652 PDB 8rz6 'Crystallographic structure of BC domain (S-form; Se-Met derivative)' 52652 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52652 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40278976 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR chemical shift assignment of the IMLV methyl groups of a di-domain of the Tomaymycin non-ribosomal peptide synthetase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 153 _Citation.Page_last 164 _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Kirkpatrick . P. . . 52652 1 2 Megha Karanth . N. . . 52652 1 3 Teresa Carlomagno . . . . 52652 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Tomaymycin, non-ribosomal peptide synthetases, methyl assignment' 52652 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52652 _Assembly.ID 1 _Assembly.Name BN-BC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 59212.13 _Assembly.Enzyme_commission_number . _Assembly.Details 'BN-BC di-domain from the Tomaymycin non-ribosomal peptide synthetase' _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 BN-BC 1 $entity_1 . . yes native yes no . . . 52652 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 BMRB 34870 . . 'solution NMR' . 'Chemical-shift assignments of isolated BN domain' . 52652 1 yes PDB 8qnf . . X-ray 1.65 'Crystallographic structure of BC domain (N-form)' . 52652 1 yes PDB 8qsx . . 'solution NMR' . 'Solution-NMR structure of isolated BN domain' . 52652 1 yes PDB 8rz6 . . X-ray 2.30 'Crystallographic structure of BC domain (S-form; Se-Met derivative)' . 52652 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Condensation reaction in the biosynthesis of Tomaymycin' 52652 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52652 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPMLMNSPLRTTVLDLARTT LGSADLTAHEPLADRCEHPA LLDDLATTLTAVFAVEITGA DLAAGATVADVAARMDDRRD APRIPELRAGLAPRDGRAVE ASFGQSGIWLIDQYLPNPAA YNGPFFVRLPFSADPDRLHA AVRGVLRRQEVLRTTYALSD GTLRQNVSRDDDAVVFEVAR YGDDKELDALVHRVANLRLD LARGPVIAVTCALGPANRSA VICNIHHIASDAASAGVFLR ELLDAYDRLGRGLPVEADPL RPTYGDFSQWYRELMNPEAL TRSLDHFAARLAGELPVLDL PTDRPRPPVKQHRGGTLPLH LPAAAADDFEALARTEGVTL FMALVAAYAVFLSRHTGQRR VLIGSPVSLRDDPATHELIG YFVNLVVLQQEIDDRMTVRD VLRRAREEVSEALRHKWAPF DKVVERLQPPRSSGYTPLVQ TMLVLTQGDAGRISHDDTEL RIERGAAHGAKYDLSLVFER DSEGLHGLIEYDADLFDEPT VRAMGDRLRHLMEQFARRPD APLHELEALGAQERRSV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq -3,G _Entity.Polymer_author_seq_details ; The first four residues (GPML) in the protein are cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-3', so that the fifth residue (M) has residue-number '1'. ; _Entity.Ambiguous_conformational_states yes _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 537 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 59212.13 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 8qnf . . . . . . . . . . . . . . . . 52652 1 2 yes PDB 8rz6 . . . . . . . . . . . . . . . . 52652 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Adaptor and condensation domains from the Tomaymycin non-ribosomal peptide synthetase' 52652 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 -3 GLY . 52652 1 2 -2 PRO . 52652 1 3 -1 MET . 52652 1 4 0 LEU . 52652 1 5 1 MET . 52652 1 6 2 ASN . 52652 1 7 3 SER . 52652 1 8 4 PRO . 52652 1 9 5 LEU . 52652 1 10 6 ARG . 52652 1 11 7 THR . 52652 1 12 8 THR . 52652 1 13 9 VAL . 52652 1 14 10 LEU . 52652 1 15 11 ASP . 52652 1 16 12 LEU . 52652 1 17 13 ALA . 52652 1 18 14 ARG . 52652 1 19 15 THR . 52652 1 20 16 THR . 52652 1 21 17 LEU . 52652 1 22 18 GLY . 52652 1 23 19 SER . 52652 1 24 20 ALA . 52652 1 25 21 ASP . 52652 1 26 22 LEU . 52652 1 27 23 THR . 52652 1 28 24 ALA . 52652 1 29 25 HIS . 52652 1 30 26 GLU . 52652 1 31 27 PRO . 52652 1 32 28 LEU . 52652 1 33 29 ALA . 52652 1 34 30 ASP . 52652 1 35 31 ARG . 52652 1 36 32 CYS . 52652 1 37 33 GLU . 52652 1 38 34 HIS . 52652 1 39 35 PRO . 52652 1 40 36 ALA . 52652 1 41 37 LEU . 52652 1 42 38 LEU . 52652 1 43 39 ASP . 52652 1 44 40 ASP . 52652 1 45 41 LEU . 52652 1 46 42 ALA . 52652 1 47 43 THR . 52652 1 48 44 THR . 52652 1 49 45 LEU . 52652 1 50 46 THR . 52652 1 51 47 ALA . 52652 1 52 48 VAL . 52652 1 53 49 PHE . 52652 1 54 50 ALA . 52652 1 55 51 VAL . 52652 1 56 52 GLU . 52652 1 57 53 ILE . 52652 1 58 54 THR . 52652 1 59 55 GLY . 52652 1 60 56 ALA . 52652 1 61 57 ASP . 52652 1 62 58 LEU . 52652 1 63 59 ALA . 52652 1 64 60 ALA . 52652 1 65 61 GLY . 52652 1 66 62 ALA . 52652 1 67 63 THR . 52652 1 68 64 VAL . 52652 1 69 65 ALA . 52652 1 70 66 ASP . 52652 1 71 67 VAL . 52652 1 72 68 ALA . 52652 1 73 69 ALA . 52652 1 74 70 ARG . 52652 1 75 71 MET . 52652 1 76 72 ASP . 52652 1 77 73 ASP . 52652 1 78 74 ARG . 52652 1 79 75 ARG . 52652 1 80 76 ASP . 52652 1 81 77 ALA . 52652 1 82 78 PRO . 52652 1 83 79 ARG . 52652 1 84 80 ILE . 52652 1 85 81 PRO . 52652 1 86 82 GLU . 52652 1 87 83 LEU . 52652 1 88 84 ARG . 52652 1 89 85 ALA . 52652 1 90 86 GLY . 52652 1 91 87 LEU . 52652 1 92 88 ALA . 52652 1 93 89 PRO . 52652 1 94 90 ARG . 52652 1 95 91 ASP . 52652 1 96 92 GLY . 52652 1 97 93 ARG . 52652 1 98 94 ALA . 52652 1 99 95 VAL . 52652 1 100 96 GLU . 52652 1 101 97 ALA . 52652 1 102 98 SER . 52652 1 103 99 PHE . 52652 1 104 100 GLY . 52652 1 105 101 GLN . 52652 1 106 102 SER . 52652 1 107 103 GLY . 52652 1 108 104 ILE . 52652 1 109 105 TRP . 52652 1 110 106 LEU . 52652 1 111 107 ILE . 52652 1 112 108 ASP . 52652 1 113 109 GLN . 52652 1 114 110 TYR . 52652 1 115 111 LEU . 52652 1 116 112 PRO . 52652 1 117 113 ASN . 52652 1 118 114 PRO . 52652 1 119 115 ALA . 52652 1 120 116 ALA . 52652 1 121 117 TYR . 52652 1 122 118 ASN . 52652 1 123 119 GLY . 52652 1 124 120 PRO . 52652 1 125 121 PHE . 52652 1 126 122 PHE . 52652 1 127 123 VAL . 52652 1 128 124 ARG . 52652 1 129 125 LEU . 52652 1 130 126 PRO . 52652 1 131 127 PHE . 52652 1 132 128 SER . 52652 1 133 129 ALA . 52652 1 134 130 ASP . 52652 1 135 131 PRO . 52652 1 136 132 ASP . 52652 1 137 133 ARG . 52652 1 138 134 LEU . 52652 1 139 135 HIS . 52652 1 140 136 ALA . 52652 1 141 137 ALA . 52652 1 142 138 VAL . 52652 1 143 139 ARG . 52652 1 144 140 GLY . 52652 1 145 141 VAL . 52652 1 146 142 LEU . 52652 1 147 143 ARG . 52652 1 148 144 ARG . 52652 1 149 145 GLN . 52652 1 150 146 GLU . 52652 1 151 147 VAL . 52652 1 152 148 LEU . 52652 1 153 149 ARG . 52652 1 154 150 THR . 52652 1 155 151 THR . 52652 1 156 152 TYR . 52652 1 157 153 ALA . 52652 1 158 154 LEU . 52652 1 159 155 SER . 52652 1 160 156 ASP . 52652 1 161 157 GLY . 52652 1 162 158 THR . 52652 1 163 159 LEU . 52652 1 164 160 ARG . 52652 1 165 161 GLN . 52652 1 166 162 ASN . 52652 1 167 163 VAL . 52652 1 168 164 SER . 52652 1 169 165 ARG . 52652 1 170 166 ASP . 52652 1 171 167 ASP . 52652 1 172 168 ASP . 52652 1 173 169 ALA . 52652 1 174 170 VAL . 52652 1 175 171 VAL . 52652 1 176 172 PHE . 52652 1 177 173 GLU . 52652 1 178 174 VAL . 52652 1 179 175 ALA . 52652 1 180 176 ARG . 52652 1 181 177 TYR . 52652 1 182 178 GLY . 52652 1 183 179 ASP . 52652 1 184 180 ASP . 52652 1 185 181 LYS . 52652 1 186 182 GLU . 52652 1 187 183 LEU . 52652 1 188 184 ASP . 52652 1 189 185 ALA . 52652 1 190 186 LEU . 52652 1 191 187 VAL . 52652 1 192 188 HIS . 52652 1 193 189 ARG . 52652 1 194 190 VAL . 52652 1 195 191 ALA . 52652 1 196 192 ASN . 52652 1 197 193 LEU . 52652 1 198 194 ARG . 52652 1 199 195 LEU . 52652 1 200 196 ASP . 52652 1 201 197 LEU . 52652 1 202 198 ALA . 52652 1 203 199 ARG . 52652 1 204 200 GLY . 52652 1 205 201 PRO . 52652 1 206 202 VAL . 52652 1 207 203 ILE . 52652 1 208 204 ALA . 52652 1 209 205 VAL . 52652 1 210 206 THR . 52652 1 211 207 CYS . 52652 1 212 208 ALA . 52652 1 213 209 LEU . 52652 1 214 210 GLY . 52652 1 215 211 PRO . 52652 1 216 212 ALA . 52652 1 217 213 ASN . 52652 1 218 214 ARG . 52652 1 219 215 SER . 52652 1 220 216 ALA . 52652 1 221 217 VAL . 52652 1 222 218 ILE . 52652 1 223 219 CYS . 52652 1 224 220 ASN . 52652 1 225 221 ILE . 52652 1 226 222 HIS . 52652 1 227 223 HIS . 52652 1 228 224 ILE . 52652 1 229 225 ALA . 52652 1 230 226 SER . 52652 1 231 227 ASP . 52652 1 232 228 ALA . 52652 1 233 229 ALA . 52652 1 234 230 SER . 52652 1 235 231 ALA . 52652 1 236 232 GLY . 52652 1 237 233 VAL . 52652 1 238 234 PHE . 52652 1 239 235 LEU . 52652 1 240 236 ARG . 52652 1 241 237 GLU . 52652 1 242 238 LEU . 52652 1 243 239 LEU . 52652 1 244 240 ASP . 52652 1 245 241 ALA . 52652 1 246 242 TYR . 52652 1 247 243 ASP . 52652 1 248 244 ARG . 52652 1 249 245 LEU . 52652 1 250 246 GLY . 52652 1 251 247 ARG . 52652 1 252 248 GLY . 52652 1 253 249 LEU . 52652 1 254 250 PRO . 52652 1 255 251 VAL . 52652 1 256 252 GLU . 52652 1 257 253 ALA . 52652 1 258 254 ASP . 52652 1 259 255 PRO . 52652 1 260 256 LEU . 52652 1 261 257 ARG . 52652 1 262 258 PRO . 52652 1 263 259 THR . 52652 1 264 260 TYR . 52652 1 265 261 GLY . 52652 1 266 262 ASP . 52652 1 267 263 PHE . 52652 1 268 264 SER . 52652 1 269 265 GLN . 52652 1 270 266 TRP . 52652 1 271 267 TYR . 52652 1 272 268 ARG . 52652 1 273 269 GLU . 52652 1 274 270 LEU . 52652 1 275 271 MET . 52652 1 276 272 ASN . 52652 1 277 273 PRO . 52652 1 278 274 GLU . 52652 1 279 275 ALA . 52652 1 280 276 LEU . 52652 1 281 277 THR . 52652 1 282 278 ARG . 52652 1 283 279 SER . 52652 1 284 280 LEU . 52652 1 285 281 ASP . 52652 1 286 282 HIS . 52652 1 287 283 PHE . 52652 1 288 284 ALA . 52652 1 289 285 ALA . 52652 1 290 286 ARG . 52652 1 291 287 LEU . 52652 1 292 288 ALA . 52652 1 293 289 GLY . 52652 1 294 290 GLU . 52652 1 295 291 LEU . 52652 1 296 292 PRO . 52652 1 297 293 VAL . 52652 1 298 294 LEU . 52652 1 299 295 ASP . 52652 1 300 296 LEU . 52652 1 301 297 PRO . 52652 1 302 298 THR . 52652 1 303 299 ASP . 52652 1 304 300 ARG . 52652 1 305 301 PRO . 52652 1 306 302 ARG . 52652 1 307 303 PRO . 52652 1 308 304 PRO . 52652 1 309 305 VAL . 52652 1 310 306 LYS . 52652 1 311 307 GLN . 52652 1 312 308 HIS . 52652 1 313 309 ARG . 52652 1 314 310 GLY . 52652 1 315 311 GLY . 52652 1 316 312 THR . 52652 1 317 313 LEU . 52652 1 318 314 PRO . 52652 1 319 315 LEU . 52652 1 320 316 HIS . 52652 1 321 317 LEU . 52652 1 322 318 PRO . 52652 1 323 319 ALA . 52652 1 324 320 ALA . 52652 1 325 321 ALA . 52652 1 326 322 ALA . 52652 1 327 323 ASP . 52652 1 328 324 ASP . 52652 1 329 325 PHE . 52652 1 330 326 GLU . 52652 1 331 327 ALA . 52652 1 332 328 LEU . 52652 1 333 329 ALA . 52652 1 334 330 ARG . 52652 1 335 331 THR . 52652 1 336 332 GLU . 52652 1 337 333 GLY . 52652 1 338 334 VAL . 52652 1 339 335 THR . 52652 1 340 336 LEU . 52652 1 341 337 PHE . 52652 1 342 338 MET . 52652 1 343 339 ALA . 52652 1 344 340 LEU . 52652 1 345 341 VAL . 52652 1 346 342 ALA . 52652 1 347 343 ALA . 52652 1 348 344 TYR . 52652 1 349 345 ALA . 52652 1 350 346 VAL . 52652 1 351 347 PHE . 52652 1 352 348 LEU . 52652 1 353 349 SER . 52652 1 354 350 ARG . 52652 1 355 351 HIS . 52652 1 356 352 THR . 52652 1 357 353 GLY . 52652 1 358 354 GLN . 52652 1 359 355 ARG . 52652 1 360 356 ARG . 52652 1 361 357 VAL . 52652 1 362 358 LEU . 52652 1 363 359 ILE . 52652 1 364 360 GLY . 52652 1 365 361 SER . 52652 1 366 362 PRO . 52652 1 367 363 VAL . 52652 1 368 364 SER . 52652 1 369 365 LEU . 52652 1 370 366 ARG . 52652 1 371 367 ASP . 52652 1 372 368 ASP . 52652 1 373 369 PRO . 52652 1 374 370 ALA . 52652 1 375 371 THR . 52652 1 376 372 HIS . 52652 1 377 373 GLU . 52652 1 378 374 LEU . 52652 1 379 375 ILE . 52652 1 380 376 GLY . 52652 1 381 377 TYR . 52652 1 382 378 PHE . 52652 1 383 379 VAL . 52652 1 384 380 ASN . 52652 1 385 381 LEU . 52652 1 386 382 VAL . 52652 1 387 383 VAL . 52652 1 388 384 LEU . 52652 1 389 385 GLN . 52652 1 390 386 GLN . 52652 1 391 387 GLU . 52652 1 392 388 ILE . 52652 1 393 389 ASP . 52652 1 394 390 ASP . 52652 1 395 391 ARG . 52652 1 396 392 MET . 52652 1 397 393 THR . 52652 1 398 394 VAL . 52652 1 399 395 ARG . 52652 1 400 396 ASP . 52652 1 401 397 VAL . 52652 1 402 398 LEU . 52652 1 403 399 ARG . 52652 1 404 400 ARG . 52652 1 405 401 ALA . 52652 1 406 402 ARG . 52652 1 407 403 GLU . 52652 1 408 404 GLU . 52652 1 409 405 VAL . 52652 1 410 406 SER . 52652 1 411 407 GLU . 52652 1 412 408 ALA . 52652 1 413 409 LEU . 52652 1 414 410 ARG . 52652 1 415 411 HIS . 52652 1 416 412 LYS . 52652 1 417 413 TRP . 52652 1 418 414 ALA . 52652 1 419 415 PRO . 52652 1 420 416 PHE . 52652 1 421 417 ASP . 52652 1 422 418 LYS . 52652 1 423 419 VAL . 52652 1 424 420 VAL . 52652 1 425 421 GLU . 52652 1 426 422 ARG . 52652 1 427 423 LEU . 52652 1 428 424 GLN . 52652 1 429 425 PRO . 52652 1 430 426 PRO . 52652 1 431 427 ARG . 52652 1 432 428 SER . 52652 1 433 429 SER . 52652 1 434 430 GLY . 52652 1 435 431 TYR . 52652 1 436 432 THR . 52652 1 437 433 PRO . 52652 1 438 434 LEU . 52652 1 439 435 VAL . 52652 1 440 436 GLN . 52652 1 441 437 THR . 52652 1 442 438 MET . 52652 1 443 439 LEU . 52652 1 444 440 VAL . 52652 1 445 441 LEU . 52652 1 446 442 THR . 52652 1 447 443 GLN . 52652 1 448 444 GLY . 52652 1 449 445 ASP . 52652 1 450 446 ALA . 52652 1 451 447 GLY . 52652 1 452 448 ARG . 52652 1 453 449 ILE . 52652 1 454 450 SER . 52652 1 455 451 HIS . 52652 1 456 452 ASP . 52652 1 457 453 ASP . 52652 1 458 454 THR . 52652 1 459 455 GLU . 52652 1 460 456 LEU . 52652 1 461 457 ARG . 52652 1 462 458 ILE . 52652 1 463 459 GLU . 52652 1 464 460 ARG . 52652 1 465 461 GLY . 52652 1 466 462 ALA . 52652 1 467 463 ALA . 52652 1 468 464 HIS . 52652 1 469 465 GLY . 52652 1 470 466 ALA . 52652 1 471 467 LYS . 52652 1 472 468 TYR . 52652 1 473 469 ASP . 52652 1 474 470 LEU . 52652 1 475 471 SER . 52652 1 476 472 LEU . 52652 1 477 473 VAL . 52652 1 478 474 PHE . 52652 1 479 475 GLU . 52652 1 480 476 ARG . 52652 1 481 477 ASP . 52652 1 482 478 SER . 52652 1 483 479 GLU . 52652 1 484 480 GLY . 52652 1 485 481 LEU . 52652 1 486 482 HIS . 52652 1 487 483 GLY . 52652 1 488 484 LEU . 52652 1 489 485 ILE . 52652 1 490 486 GLU . 52652 1 491 487 TYR . 52652 1 492 488 ASP . 52652 1 493 489 ALA . 52652 1 494 490 ASP . 52652 1 495 491 LEU . 52652 1 496 492 PHE . 52652 1 497 493 ASP . 52652 1 498 494 GLU . 52652 1 499 495 PRO . 52652 1 500 496 THR . 52652 1 501 497 VAL . 52652 1 502 498 ARG . 52652 1 503 499 ALA . 52652 1 504 500 MET . 52652 1 505 501 GLY . 52652 1 506 502 ASP . 52652 1 507 503 ARG . 52652 1 508 504 LEU . 52652 1 509 505 ARG . 52652 1 510 506 HIS . 52652 1 511 507 LEU . 52652 1 512 508 MET . 52652 1 513 509 GLU . 52652 1 514 510 GLN . 52652 1 515 511 PHE . 52652 1 516 512 ALA . 52652 1 517 513 ARG . 52652 1 518 514 ARG . 52652 1 519 515 PRO . 52652 1 520 516 ASP . 52652 1 521 517 ALA . 52652 1 522 518 PRO . 52652 1 523 519 LEU . 52652 1 524 520 HIS . 52652 1 525 521 GLU . 52652 1 526 522 LEU . 52652 1 527 523 GLU . 52652 1 528 524 ALA . 52652 1 529 525 LEU . 52652 1 530 526 GLY . 52652 1 531 527 ALA . 52652 1 532 528 GLN . 52652 1 533 529 GLU . 52652 1 534 530 ARG . 52652 1 535 531 ARG . 52652 1 536 532 SER . 52652 1 537 533 VAL . 52652 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 52652 1 . PRO 2 2 52652 1 . MET 3 3 52652 1 . LEU 4 4 52652 1 . MET 5 5 52652 1 . ASN 6 6 52652 1 . SER 7 7 52652 1 . PRO 8 8 52652 1 . LEU 9 9 52652 1 . ARG 10 10 52652 1 . THR 11 11 52652 1 . THR 12 12 52652 1 . VAL 13 13 52652 1 . LEU 14 14 52652 1 . ASP 15 15 52652 1 . LEU 16 16 52652 1 . ALA 17 17 52652 1 . ARG 18 18 52652 1 . THR 19 19 52652 1 . THR 20 20 52652 1 . LEU 21 21 52652 1 . GLY 22 22 52652 1 . SER 23 23 52652 1 . ALA 24 24 52652 1 . ASP 25 25 52652 1 . LEU 26 26 52652 1 . THR 27 27 52652 1 . ALA 28 28 52652 1 . HIS 29 29 52652 1 . GLU 30 30 52652 1 . PRO 31 31 52652 1 . LEU 32 32 52652 1 . ALA 33 33 52652 1 . ASP 34 34 52652 1 . ARG 35 35 52652 1 . CYS 36 36 52652 1 . GLU 37 37 52652 1 . HIS 38 38 52652 1 . PRO 39 39 52652 1 . ALA 40 40 52652 1 . LEU 41 41 52652 1 . LEU 42 42 52652 1 . ASP 43 43 52652 1 . ASP 44 44 52652 1 . LEU 45 45 52652 1 . ALA 46 46 52652 1 . THR 47 47 52652 1 . THR 48 48 52652 1 . LEU 49 49 52652 1 . THR 50 50 52652 1 . ALA 51 51 52652 1 . VAL 52 52 52652 1 . PHE 53 53 52652 1 . ALA 54 54 52652 1 . VAL 55 55 52652 1 . GLU 56 56 52652 1 . ILE 57 57 52652 1 . THR 58 58 52652 1 . GLY 59 59 52652 1 . ALA 60 60 52652 1 . ASP 61 61 52652 1 . LEU 62 62 52652 1 . ALA 63 63 52652 1 . ALA 64 64 52652 1 . GLY 65 65 52652 1 . ALA 66 66 52652 1 . THR 67 67 52652 1 . VAL 68 68 52652 1 . ALA 69 69 52652 1 . ASP 70 70 52652 1 . VAL 71 71 52652 1 . ALA 72 72 52652 1 . ALA 73 73 52652 1 . ARG 74 74 52652 1 . MET 75 75 52652 1 . ASP 76 76 52652 1 . ASP 77 77 52652 1 . ARG 78 78 52652 1 . ARG 79 79 52652 1 . ASP 80 80 52652 1 . ALA 81 81 52652 1 . PRO 82 82 52652 1 . ARG 83 83 52652 1 . ILE 84 84 52652 1 . PRO 85 85 52652 1 . GLU 86 86 52652 1 . LEU 87 87 52652 1 . ARG 88 88 52652 1 . ALA 89 89 52652 1 . GLY 90 90 52652 1 . LEU 91 91 52652 1 . ALA 92 92 52652 1 . PRO 93 93 52652 1 . ARG 94 94 52652 1 . ASP 95 95 52652 1 . GLY 96 96 52652 1 . ARG 97 97 52652 1 . ALA 98 98 52652 1 . VAL 99 99 52652 1 . GLU 100 100 52652 1 . ALA 101 101 52652 1 . SER 102 102 52652 1 . PHE 103 103 52652 1 . GLY 104 104 52652 1 . GLN 105 105 52652 1 . SER 106 106 52652 1 . GLY 107 107 52652 1 . ILE 108 108 52652 1 . TRP 109 109 52652 1 . LEU 110 110 52652 1 . ILE 111 111 52652 1 . ASP 112 112 52652 1 . GLN 113 113 52652 1 . TYR 114 114 52652 1 . LEU 115 115 52652 1 . PRO 116 116 52652 1 . ASN 117 117 52652 1 . PRO 118 118 52652 1 . ALA 119 119 52652 1 . ALA 120 120 52652 1 . TYR 121 121 52652 1 . ASN 122 122 52652 1 . GLY 123 123 52652 1 . PRO 124 124 52652 1 . PHE 125 125 52652 1 . PHE 126 126 52652 1 . VAL 127 127 52652 1 . ARG 128 128 52652 1 . LEU 129 129 52652 1 . PRO 130 130 52652 1 . PHE 131 131 52652 1 . SER 132 132 52652 1 . ALA 133 133 52652 1 . ASP 134 134 52652 1 . PRO 135 135 52652 1 . ASP 136 136 52652 1 . ARG 137 137 52652 1 . LEU 138 138 52652 1 . HIS 139 139 52652 1 . ALA 140 140 52652 1 . ALA 141 141 52652 1 . VAL 142 142 52652 1 . ARG 143 143 52652 1 . GLY 144 144 52652 1 . VAL 145 145 52652 1 . LEU 146 146 52652 1 . ARG 147 147 52652 1 . ARG 148 148 52652 1 . GLN 149 149 52652 1 . GLU 150 150 52652 1 . VAL 151 151 52652 1 . LEU 152 152 52652 1 . ARG 153 153 52652 1 . THR 154 154 52652 1 . THR 155 155 52652 1 . TYR 156 156 52652 1 . ALA 157 157 52652 1 . LEU 158 158 52652 1 . SER 159 159 52652 1 . ASP 160 160 52652 1 . GLY 161 161 52652 1 . THR 162 162 52652 1 . LEU 163 163 52652 1 . ARG 164 164 52652 1 . GLN 165 165 52652 1 . ASN 166 166 52652 1 . VAL 167 167 52652 1 . SER 168 168 52652 1 . ARG 169 169 52652 1 . ASP 170 170 52652 1 . ASP 171 171 52652 1 . ASP 172 172 52652 1 . ALA 173 173 52652 1 . VAL 174 174 52652 1 . VAL 175 175 52652 1 . PHE 176 176 52652 1 . GLU 177 177 52652 1 . VAL 178 178 52652 1 . ALA 179 179 52652 1 . ARG 180 180 52652 1 . TYR 181 181 52652 1 . GLY 182 182 52652 1 . ASP 183 183 52652 1 . ASP 184 184 52652 1 . LYS 185 185 52652 1 . GLU 186 186 52652 1 . LEU 187 187 52652 1 . ASP 188 188 52652 1 . ALA 189 189 52652 1 . LEU 190 190 52652 1 . VAL 191 191 52652 1 . HIS 192 192 52652 1 . ARG 193 193 52652 1 . VAL 194 194 52652 1 . ALA 195 195 52652 1 . ASN 196 196 52652 1 . LEU 197 197 52652 1 . ARG 198 198 52652 1 . LEU 199 199 52652 1 . ASP 200 200 52652 1 . LEU 201 201 52652 1 . ALA 202 202 52652 1 . ARG 203 203 52652 1 . GLY 204 204 52652 1 . PRO 205 205 52652 1 . VAL 206 206 52652 1 . ILE 207 207 52652 1 . ALA 208 208 52652 1 . VAL 209 209 52652 1 . THR 210 210 52652 1 . CYS 211 211 52652 1 . ALA 212 212 52652 1 . LEU 213 213 52652 1 . GLY 214 214 52652 1 . PRO 215 215 52652 1 . ALA 216 216 52652 1 . ASN 217 217 52652 1 . ARG 218 218 52652 1 . SER 219 219 52652 1 . ALA 220 220 52652 1 . VAL 221 221 52652 1 . ILE 222 222 52652 1 . CYS 223 223 52652 1 . ASN 224 224 52652 1 . ILE 225 225 52652 1 . HIS 226 226 52652 1 . HIS 227 227 52652 1 . ILE 228 228 52652 1 . ALA 229 229 52652 1 . SER 230 230 52652 1 . ASP 231 231 52652 1 . ALA 232 232 52652 1 . ALA 233 233 52652 1 . SER 234 234 52652 1 . ALA 235 235 52652 1 . GLY 236 236 52652 1 . VAL 237 237 52652 1 . PHE 238 238 52652 1 . LEU 239 239 52652 1 . ARG 240 240 52652 1 . GLU 241 241 52652 1 . LEU 242 242 52652 1 . LEU 243 243 52652 1 . ASP 244 244 52652 1 . ALA 245 245 52652 1 . TYR 246 246 52652 1 . ASP 247 247 52652 1 . ARG 248 248 52652 1 . LEU 249 249 52652 1 . GLY 250 250 52652 1 . ARG 251 251 52652 1 . GLY 252 252 52652 1 . LEU 253 253 52652 1 . PRO 254 254 52652 1 . VAL 255 255 52652 1 . GLU 256 256 52652 1 . ALA 257 257 52652 1 . ASP 258 258 52652 1 . PRO 259 259 52652 1 . LEU 260 260 52652 1 . ARG 261 261 52652 1 . PRO 262 262 52652 1 . THR 263 263 52652 1 . TYR 264 264 52652 1 . GLY 265 265 52652 1 . ASP 266 266 52652 1 . PHE 267 267 52652 1 . SER 268 268 52652 1 . GLN 269 269 52652 1 . TRP 270 270 52652 1 . TYR 271 271 52652 1 . ARG 272 272 52652 1 . GLU 273 273 52652 1 . LEU 274 274 52652 1 . MET 275 275 52652 1 . ASN 276 276 52652 1 . PRO 277 277 52652 1 . GLU 278 278 52652 1 . ALA 279 279 52652 1 . LEU 280 280 52652 1 . THR 281 281 52652 1 . ARG 282 282 52652 1 . SER 283 283 52652 1 . LEU 284 284 52652 1 . ASP 285 285 52652 1 . HIS 286 286 52652 1 . PHE 287 287 52652 1 . ALA 288 288 52652 1 . ALA 289 289 52652 1 . ARG 290 290 52652 1 . LEU 291 291 52652 1 . ALA 292 292 52652 1 . GLY 293 293 52652 1 . GLU 294 294 52652 1 . LEU 295 295 52652 1 . PRO 296 296 52652 1 . VAL 297 297 52652 1 . LEU 298 298 52652 1 . ASP 299 299 52652 1 . LEU 300 300 52652 1 . PRO 301 301 52652 1 . THR 302 302 52652 1 . ASP 303 303 52652 1 . ARG 304 304 52652 1 . PRO 305 305 52652 1 . ARG 306 306 52652 1 . PRO 307 307 52652 1 . PRO 308 308 52652 1 . VAL 309 309 52652 1 . LYS 310 310 52652 1 . GLN 311 311 52652 1 . HIS 312 312 52652 1 . ARG 313 313 52652 1 . GLY 314 314 52652 1 . GLY 315 315 52652 1 . THR 316 316 52652 1 . LEU 317 317 52652 1 . PRO 318 318 52652 1 . LEU 319 319 52652 1 . HIS 320 320 52652 1 . LEU 321 321 52652 1 . PRO 322 322 52652 1 . ALA 323 323 52652 1 . ALA 324 324 52652 1 . ALA 325 325 52652 1 . ALA 326 326 52652 1 . ASP 327 327 52652 1 . ASP 328 328 52652 1 . PHE 329 329 52652 1 . GLU 330 330 52652 1 . ALA 331 331 52652 1 . LEU 332 332 52652 1 . ALA 333 333 52652 1 . ARG 334 334 52652 1 . THR 335 335 52652 1 . GLU 336 336 52652 1 . GLY 337 337 52652 1 . VAL 338 338 52652 1 . THR 339 339 52652 1 . LEU 340 340 52652 1 . PHE 341 341 52652 1 . MET 342 342 52652 1 . ALA 343 343 52652 1 . LEU 344 344 52652 1 . VAL 345 345 52652 1 . ALA 346 346 52652 1 . ALA 347 347 52652 1 . TYR 348 348 52652 1 . ALA 349 349 52652 1 . VAL 350 350 52652 1 . PHE 351 351 52652 1 . LEU 352 352 52652 1 . SER 353 353 52652 1 . ARG 354 354 52652 1 . HIS 355 355 52652 1 . THR 356 356 52652 1 . GLY 357 357 52652 1 . GLN 358 358 52652 1 . ARG 359 359 52652 1 . ARG 360 360 52652 1 . VAL 361 361 52652 1 . LEU 362 362 52652 1 . ILE 363 363 52652 1 . GLY 364 364 52652 1 . SER 365 365 52652 1 . PRO 366 366 52652 1 . VAL 367 367 52652 1 . SER 368 368 52652 1 . LEU 369 369 52652 1 . ARG 370 370 52652 1 . ASP 371 371 52652 1 . ASP 372 372 52652 1 . PRO 373 373 52652 1 . ALA 374 374 52652 1 . THR 375 375 52652 1 . HIS 376 376 52652 1 . GLU 377 377 52652 1 . LEU 378 378 52652 1 . ILE 379 379 52652 1 . GLY 380 380 52652 1 . TYR 381 381 52652 1 . PHE 382 382 52652 1 . VAL 383 383 52652 1 . ASN 384 384 52652 1 . LEU 385 385 52652 1 . VAL 386 386 52652 1 . VAL 387 387 52652 1 . LEU 388 388 52652 1 . GLN 389 389 52652 1 . GLN 390 390 52652 1 . GLU 391 391 52652 1 . ILE 392 392 52652 1 . ASP 393 393 52652 1 . ASP 394 394 52652 1 . ARG 395 395 52652 1 . MET 396 396 52652 1 . THR 397 397 52652 1 . VAL 398 398 52652 1 . ARG 399 399 52652 1 . ASP 400 400 52652 1 . VAL 401 401 52652 1 . LEU 402 402 52652 1 . ARG 403 403 52652 1 . ARG 404 404 52652 1 . ALA 405 405 52652 1 . ARG 406 406 52652 1 . GLU 407 407 52652 1 . GLU 408 408 52652 1 . VAL 409 409 52652 1 . SER 410 410 52652 1 . GLU 411 411 52652 1 . ALA 412 412 52652 1 . LEU 413 413 52652 1 . ARG 414 414 52652 1 . HIS 415 415 52652 1 . LYS 416 416 52652 1 . TRP 417 417 52652 1 . ALA 418 418 52652 1 . PRO 419 419 52652 1 . PHE 420 420 52652 1 . ASP 421 421 52652 1 . LYS 422 422 52652 1 . VAL 423 423 52652 1 . VAL 424 424 52652 1 . GLU 425 425 52652 1 . ARG 426 426 52652 1 . LEU 427 427 52652 1 . GLN 428 428 52652 1 . PRO 429 429 52652 1 . PRO 430 430 52652 1 . ARG 431 431 52652 1 . SER 432 432 52652 1 . SER 433 433 52652 1 . GLY 434 434 52652 1 . TYR 435 435 52652 1 . THR 436 436 52652 1 . PRO 437 437 52652 1 . LEU 438 438 52652 1 . VAL 439 439 52652 1 . GLN 440 440 52652 1 . THR 441 441 52652 1 . MET 442 442 52652 1 . LEU 443 443 52652 1 . VAL 444 444 52652 1 . LEU 445 445 52652 1 . THR 446 446 52652 1 . GLN 447 447 52652 1 . GLY 448 448 52652 1 . ASP 449 449 52652 1 . ALA 450 450 52652 1 . GLY 451 451 52652 1 . ARG 452 452 52652 1 . ILE 453 453 52652 1 . SER 454 454 52652 1 . HIS 455 455 52652 1 . ASP 456 456 52652 1 . ASP 457 457 52652 1 . THR 458 458 52652 1 . GLU 459 459 52652 1 . LEU 460 460 52652 1 . ARG 461 461 52652 1 . ILE 462 462 52652 1 . GLU 463 463 52652 1 . ARG 464 464 52652 1 . GLY 465 465 52652 1 . ALA 466 466 52652 1 . ALA 467 467 52652 1 . HIS 468 468 52652 1 . GLY 469 469 52652 1 . ALA 470 470 52652 1 . LYS 471 471 52652 1 . TYR 472 472 52652 1 . ASP 473 473 52652 1 . LEU 474 474 52652 1 . SER 475 475 52652 1 . LEU 476 476 52652 1 . VAL 477 477 52652 1 . PHE 478 478 52652 1 . GLU 479 479 52652 1 . ARG 480 480 52652 1 . ASP 481 481 52652 1 . SER 482 482 52652 1 . GLU 483 483 52652 1 . GLY 484 484 52652 1 . LEU 485 485 52652 1 . HIS 486 486 52652 1 . GLY 487 487 52652 1 . LEU 488 488 52652 1 . ILE 489 489 52652 1 . GLU 490 490 52652 1 . TYR 491 491 52652 1 . ASP 492 492 52652 1 . ALA 493 493 52652 1 . ASP 494 494 52652 1 . LEU 495 495 52652 1 . PHE 496 496 52652 1 . ASP 497 497 52652 1 . GLU 498 498 52652 1 . PRO 499 499 52652 1 . THR 500 500 52652 1 . VAL 501 501 52652 1 . ARG 502 502 52652 1 . ALA 503 503 52652 1 . MET 504 504 52652 1 . GLY 505 505 52652 1 . ASP 506 506 52652 1 . ARG 507 507 52652 1 . LEU 508 508 52652 1 . ARG 509 509 52652 1 . HIS 510 510 52652 1 . LEU 511 511 52652 1 . MET 512 512 52652 1 . GLU 513 513 52652 1 . GLN 514 514 52652 1 . PHE 515 515 52652 1 . ALA 516 516 52652 1 . ARG 517 517 52652 1 . ARG 518 518 52652 1 . PRO 519 519 52652 1 . ASP 520 520 52652 1 . ALA 521 521 52652 1 . PRO 522 522 52652 1 . LEU 523 523 52652 1 . HIS 524 524 52652 1 . GLU 525 525 52652 1 . LEU 526 526 52652 1 . GLU 527 527 52652 1 . ALA 528 528 52652 1 . LEU 529 529 52652 1 . GLY 530 530 52652 1 . ALA 531 531 52652 1 . GLN 532 532 52652 1 . GLU 533 533 52652 1 . ARG 534 534 52652 1 . ARG 535 535 52652 1 . SER 536 536 52652 1 . VAL 537 537 52652 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52652 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 68263 organism . 'Streptomyces regensis' 'Streptomyces regensis' . . Bacteria . Streptomyces regensis . . . . . . . . . . . . . 52652 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52652 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pETM44 . . . 52652 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52652 _Sample.ID 1 _Sample.Name LV[rac] _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (racemic Leu-d1/d2 & racemic Val-g1/g2)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 50% (racemic) 1H,13C-Leu-D1/D2; 50% (racemic) 1H,13C-Val-G1/G2' . . 1 $entity_1 . . 550 . . uM . . . . 52652 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 1 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52652 _Sample.ID 2 _Sample.Name 'IMLV[rac], first sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (Ile-d1, Met-e, racemic Leu-d1/d2 & racemic Val-g1/g2)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 100% 1H,13C-Ile-D1, 100% 1H,13C-Met-E, 50% (racemic) 1H,13C-Leu-D1/D2; 50% (racemic) 1H,13C-Val-G1/G2' . . 1 $entity_1 . . 800 . . uM . . . . 52652 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 2 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52652 _Sample.ID 3 _Sample.Name 'IMLV[rac], second sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (Ile-d1, Met-e, racemic Leu-d1/d2 & racemic Val-g1/g2)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 100% 1H,13C-Ile-D1, 100% 1H,13C-Met-E, 50% (racemic) 1H,13C-Leu-D1/D2; 50% (racemic) 1H,13C-Val-G1/G2' . . 1 $entity_1 . . 800 . . uM . . . . 52652 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 3 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 3 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 52652 _Sample.ID 4 _Sample.Name MV[pro-S] _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (Met-e & stereospecific Val-g2)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 100% 1H,13C-Met-E, 100% 1H,13C-Val-G2' . . 1 $entity_1 . . 250 . . uM . . . . 52652 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 4 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 4 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 4 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 52652 _Sample.ID 5 _Sample.Name LV[pro-R] _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (stereospecific Leu-d1 & Val-g1)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 50% (racemic) 1H,13C-Leu-D1/D2; 50% (racemic) 1H,13C-Val-G1/G2' . . 1 $entity_1 . . 100 . . uM . . . . 52652 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 5 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 5 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 5 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 52652 _Sample.ID 6 _Sample.Name LV[rac;13C-sc] _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Selectively 1H,13C-methyl-labelled (stereospecific Leu-d1 & Val-g1)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BN-BC '[U-12C; U-2H; 100% 13C-Leu-CB,CG; 50% (racemic) 1H,13C-Leu-D1/D2; 100% 13C-Val-C,CA,CB; 50% (racemic) 1H,13C-Val-CG1/CG2' . . 1 $entity_1 . . 100 . . uM . . . . 52652 6 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52652 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52652 6 4 TCEP 'natural abundance' . . . . . . 0.75 0.5 1.0 mM . . . . 52652 6 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52652 6 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52652 6 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 52652 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 52652 1 temperature 298 . K 52652 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52652 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52652 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52652 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52652 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52652 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52652 3 'data analysis' . 52652 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52652 _Software.ID 4 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52652 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52652 _Software.ID 5 _Software.Type . _Software.Name FuDA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52652 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52652 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52652 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 2 '2D 1H-13C HMQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 3 '2D 1H-13C HMQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 4 '2D 1H-13C HMQC' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 5 '2D 1H-13C HMQC' no no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 6 '4D 13C-HMQC-NOESY-13C-HMQC' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Recorded with diagonal-peak suppression' 52652 1 7 '4D 13C-HMQC-NOESY-13C-HMQC' no yes yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Recorded with diagonal-peak suppression' 52652 1 8 '3D (H)CCH 13C-HMQC-NOESY-13C-HMQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 9 '3D HCH 13C-HMQC-NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 10 '3D HmCmCG/CB' no no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52652 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52652 _Computing_platform.ID 1 _Computing_platform.Name 'Regionales RechenZentrum fur Niedersachsen (RRZN)' _Computing_platform.Reference_ID . _Computing_platform.Site 'Leibniz Universitat Hannover, Hannover, Germany' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52652 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 52652 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 52652 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52652 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ILVM_methyls _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 52652 1 2 '2D 1H-13C HMQC' . . . 52652 1 3 '2D 1H-13C HMQC' . . . 52652 1 4 '2D 1H-13C HMQC' . . . 52652 1 5 '2D 1H-13C HMQC' . . . 52652 1 6 '4D 13C-HMQC-NOESY-13C-HMQC' . . . 52652 1 7 '4D 13C-HMQC-NOESY-13C-HMQC' . . . 52652 1 8 '3D (H)CCH 13C-HMQC-NOESY-13C-HMQC' . . . 52652 1 9 '3D HCH 13C-HMQC-NOESY' . . . 52652 1 10 '3D HmCmCG/CB' . . . 52652 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52652 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 3 3 MET HE1 H 1 2.099 0.004 . 1 . . . . A -1 MET HE1 . 52652 1 2 . 1 . 1 3 3 MET HE2 H 1 2.099 0.004 . 1 . . . . A -1 MET HE2 . 52652 1 3 . 1 . 1 3 3 MET HE3 H 1 2.099 0.004 . 1 . . . . A -1 MET HE3 . 52652 1 4 . 1 . 1 3 3 MET CE C 13 16.958 0.021 . 1 . . . . A -1 MET CE . 52652 1 5 . 1 . 1 4 4 LEU HD11 H 1 0.920 0.006 . 1 . . . . A 0 LEU HD11 . 52652 1 6 . 1 . 1 4 4 LEU HD12 H 1 0.920 0.006 . 1 . . . . A 0 LEU HD12 . 52652 1 7 . 1 . 1 4 4 LEU HD13 H 1 0.920 0.006 . 1 . . . . A 0 LEU HD13 . 52652 1 8 . 1 . 1 4 4 LEU HD21 H 1 0.864 0.004 . 1 . . . . A 0 LEU HD21 . 52652 1 9 . 1 . 1 4 4 LEU HD22 H 1 0.864 0.004 . 1 . . . . A 0 LEU HD22 . 52652 1 10 . 1 . 1 4 4 LEU HD23 H 1 0.864 0.004 . 1 . . . . A 0 LEU HD23 . 52652 1 11 . 1 . 1 4 4 LEU CD1 C 13 24.725 0.026 . 1 . . . . A 0 LEU CD1 . 52652 1 12 . 1 . 1 4 4 LEU CD2 C 13 23.323 0.046 . 1 . . . . A 0 LEU CD2 . 52652 1 13 . 1 . 1 5 5 MET HE1 H 1 2.098 0.003 . 1 . . . . A 1 MET HE1 . 52652 1 14 . 1 . 1 5 5 MET HE2 H 1 2.098 0.003 . 1 . . . . A 1 MET HE2 . 52652 1 15 . 1 . 1 5 5 MET HE3 H 1 2.098 0.003 . 1 . . . . A 1 MET HE3 . 52652 1 16 . 1 . 1 5 5 MET CE C 13 16.960 0.021 . 1 . . . . A 1 MET CE . 52652 1 17 . 1 . 1 9 9 LEU HD11 H 1 0.806 0.005 . 1 . . . . A 5 LEU HD11 . 52652 1 18 . 1 . 1 9 9 LEU HD12 H 1 0.806 0.005 . 1 . . . . A 5 LEU HD12 . 52652 1 19 . 1 . 1 9 9 LEU HD13 H 1 0.806 0.005 . 1 . . . . A 5 LEU HD13 . 52652 1 20 . 1 . 1 9 9 LEU HD21 H 1 0.823 0.002 . 1 . . . . A 5 LEU HD21 . 52652 1 21 . 1 . 1 9 9 LEU HD22 H 1 0.823 0.002 . 1 . . . . A 5 LEU HD22 . 52652 1 22 . 1 . 1 9 9 LEU HD23 H 1 0.823 0.002 . 1 . . . . A 5 LEU HD23 . 52652 1 23 . 1 . 1 9 9 LEU CD1 C 13 24.803 0.017 . 1 . . . . A 5 LEU CD1 . 52652 1 24 . 1 . 1 9 9 LEU CD2 C 13 24.396 0.014 . 1 . . . . A 5 LEU CD2 . 52652 1 25 . 1 . 1 13 13 VAL HG11 H 1 0.902 0.007 . 1 . . . . A 9 VAL HG11 . 52652 1 26 . 1 . 1 13 13 VAL HG12 H 1 0.902 0.007 . 1 . . . . A 9 VAL HG12 . 52652 1 27 . 1 . 1 13 13 VAL HG13 H 1 0.902 0.007 . 1 . . . . A 9 VAL HG13 . 52652 1 28 . 1 . 1 13 13 VAL HG21 H 1 0.800 0.004 . 1 . . . . A 9 VAL HG21 . 52652 1 29 . 1 . 1 13 13 VAL HG22 H 1 0.800 0.004 . 1 . . . . A 9 VAL HG22 . 52652 1 30 . 1 . 1 13 13 VAL HG23 H 1 0.800 0.004 . 1 . . . . A 9 VAL HG23 . 52652 1 31 . 1 . 1 13 13 VAL CG1 C 13 21.838 0.015 . 1 . . . . A 9 VAL CG1 . 52652 1 32 . 1 . 1 13 13 VAL CG2 C 13 23.307 0.022 . 1 . . . . A 9 VAL CG2 . 52652 1 33 . 1 . 1 14 14 LEU HD11 H 1 0.760 0.002 . 1 . . . . A 10 LEU HD11 . 52652 1 34 . 1 . 1 14 14 LEU HD12 H 1 0.760 0.002 . 1 . . . . A 10 LEU HD12 . 52652 1 35 . 1 . 1 14 14 LEU HD13 H 1 0.760 0.002 . 1 . . . . A 10 LEU HD13 . 52652 1 36 . 1 . 1 14 14 LEU HD21 H 1 0.950 0.006 . 1 . . . . A 10 LEU HD21 . 52652 1 37 . 1 . 1 14 14 LEU HD22 H 1 0.950 0.006 . 1 . . . . A 10 LEU HD22 . 52652 1 38 . 1 . 1 14 14 LEU HD23 H 1 0.950 0.006 . 1 . . . . A 10 LEU HD23 . 52652 1 39 . 1 . 1 14 14 LEU CD1 C 13 23.023 0.022 . 1 . . . . A 10 LEU CD1 . 52652 1 40 . 1 . 1 14 14 LEU CD2 C 13 25.685 0.035 . 1 . . . . A 10 LEU CD2 . 52652 1 41 . 1 . 1 16 16 LEU HD11 H 1 0.884 0.004 . 1 . . . . A 12 LEU HD11 . 52652 1 42 . 1 . 1 16 16 LEU HD12 H 1 0.884 0.004 . 1 . . . . A 12 LEU HD12 . 52652 1 43 . 1 . 1 16 16 LEU HD13 H 1 0.884 0.004 . 1 . . . . A 12 LEU HD13 . 52652 1 44 . 1 . 1 16 16 LEU HD21 H 1 0.855 0.002 . 1 . . . . A 12 LEU HD21 . 52652 1 45 . 1 . 1 16 16 LEU HD22 H 1 0.855 0.002 . 1 . . . . A 12 LEU HD22 . 52652 1 46 . 1 . 1 16 16 LEU HD23 H 1 0.855 0.002 . 1 . . . . A 12 LEU HD23 . 52652 1 47 . 1 . 1 16 16 LEU CD1 C 13 25.562 0.031 . 1 . . . . A 12 LEU CD1 . 52652 1 48 . 1 . 1 16 16 LEU CD2 C 13 23.085 0.016 . 1 . . . . A 12 LEU CD2 . 52652 1 49 . 1 . 1 21 21 LEU HD11 H 1 0.825 0.004 . 1 . . . . A 17 LEU HD11 . 52652 1 50 . 1 . 1 21 21 LEU HD12 H 1 0.825 0.004 . 1 . . . . A 17 LEU HD12 . 52652 1 51 . 1 . 1 21 21 LEU HD13 H 1 0.825 0.004 . 1 . . . . A 17 LEU HD13 . 52652 1 52 . 1 . 1 21 21 LEU HD21 H 1 0.802 0.004 . 1 . . . . A 17 LEU HD21 . 52652 1 53 . 1 . 1 21 21 LEU HD22 H 1 0.802 0.004 . 1 . . . . A 17 LEU HD22 . 52652 1 54 . 1 . 1 21 21 LEU HD23 H 1 0.802 0.004 . 1 . . . . A 17 LEU HD23 . 52652 1 55 . 1 . 1 21 21 LEU CD1 C 13 25.157 0.028 . 1 . . . . A 17 LEU CD1 . 52652 1 56 . 1 . 1 21 21 LEU CD2 C 13 23.817 0.025 . 1 . . . . A 17 LEU CD2 . 52652 1 57 . 1 . 1 26 26 LEU HD11 H 1 0.910 0.005 . 1 . . . . A 22 LEU HD11 . 52652 1 58 . 1 . 1 26 26 LEU HD12 H 1 0.910 0.005 . 1 . . . . A 22 LEU HD12 . 52652 1 59 . 1 . 1 26 26 LEU HD13 H 1 0.910 0.005 . 1 . . . . A 22 LEU HD13 . 52652 1 60 . 1 . 1 26 26 LEU HD21 H 1 0.763 0.003 . 1 . . . . A 22 LEU HD21 . 52652 1 61 . 1 . 1 26 26 LEU HD22 H 1 0.763 0.003 . 1 . . . . A 22 LEU HD22 . 52652 1 62 . 1 . 1 26 26 LEU HD23 H 1 0.763 0.003 . 1 . . . . A 22 LEU HD23 . 52652 1 63 . 1 . 1 26 26 LEU CD1 C 13 23.975 0.016 . 1 . . . . A 22 LEU CD1 . 52652 1 64 . 1 . 1 26 26 LEU CD2 C 13 27.149 0.018 . 1 . . . . A 22 LEU CD2 . 52652 1 65 . 1 . 1 32 32 LEU HD11 H 1 0.718 0.003 . 1 . . . . A 28 LEU HD11 . 52652 1 66 . 1 . 1 32 32 LEU HD12 H 1 0.718 0.003 . 1 . . . . A 28 LEU HD12 . 52652 1 67 . 1 . 1 32 32 LEU HD13 H 1 0.718 0.003 . 1 . . . . A 28 LEU HD13 . 52652 1 68 . 1 . 1 32 32 LEU HD21 H 1 0.848 0.003 . 1 . . . . A 28 LEU HD21 . 52652 1 69 . 1 . 1 32 32 LEU HD22 H 1 0.848 0.003 . 1 . . . . A 28 LEU HD22 . 52652 1 70 . 1 . 1 32 32 LEU HD23 H 1 0.848 0.003 . 1 . . . . A 28 LEU HD23 . 52652 1 71 . 1 . 1 32 32 LEU CD1 C 13 25.897 0.020 . 1 . . . . A 28 LEU CD1 . 52652 1 72 . 1 . 1 32 32 LEU CD2 C 13 24.819 0.029 . 1 . . . . A 28 LEU CD2 . 52652 1 73 . 1 . 1 41 41 LEU HD11 H 1 1.171 0.003 . 1 . . . . A 37 LEU HD11 . 52652 1 74 . 1 . 1 41 41 LEU HD12 H 1 1.171 0.003 . 1 . . . . A 37 LEU HD12 . 52652 1 75 . 1 . 1 41 41 LEU HD13 H 1 1.171 0.003 . 1 . . . . A 37 LEU HD13 . 52652 1 76 . 1 . 1 41 41 LEU HD21 H 1 1.012 0.001 . 1 . . . . A 37 LEU HD21 . 52652 1 77 . 1 . 1 41 41 LEU HD22 H 1 1.012 0.001 . 1 . . . . A 37 LEU HD22 . 52652 1 78 . 1 . 1 41 41 LEU HD23 H 1 1.012 0.001 . 1 . . . . A 37 LEU HD23 . 52652 1 79 . 1 . 1 41 41 LEU CD1 C 13 26.098 0.015 . 1 . . . . A 37 LEU CD1 . 52652 1 80 . 1 . 1 41 41 LEU CD2 C 13 22.338 0.007 . 1 . . . . A 37 LEU CD2 . 52652 1 81 . 1 . 1 42 42 LEU HD11 H 1 0.876 0.003 . 1 . . . . A 38 LEU HD11 . 52652 1 82 . 1 . 1 42 42 LEU HD12 H 1 0.876 0.003 . 1 . . . . A 38 LEU HD12 . 52652 1 83 . 1 . 1 42 42 LEU HD13 H 1 0.876 0.003 . 1 . . . . A 38 LEU HD13 . 52652 1 84 . 1 . 1 42 42 LEU HD21 H 1 0.734 0.002 . 1 . . . . A 38 LEU HD21 . 52652 1 85 . 1 . 1 42 42 LEU HD22 H 1 0.734 0.002 . 1 . . . . A 38 LEU HD22 . 52652 1 86 . 1 . 1 42 42 LEU HD23 H 1 0.734 0.002 . 1 . . . . A 38 LEU HD23 . 52652 1 87 . 1 . 1 42 42 LEU CD1 C 13 24.919 0.013 . 1 . . . . A 38 LEU CD1 . 52652 1 88 . 1 . 1 42 42 LEU CD2 C 13 23.009 0.012 . 1 . . . . A 38 LEU CD2 . 52652 1 89 . 1 . 1 45 45 LEU HD11 H 1 0.902 0.008 . 1 . . . . A 41 LEU HD11 . 52652 1 90 . 1 . 1 45 45 LEU HD12 H 1 0.902 0.008 . 1 . . . . A 41 LEU HD12 . 52652 1 91 . 1 . 1 45 45 LEU HD13 H 1 0.902 0.008 . 1 . . . . A 41 LEU HD13 . 52652 1 92 . 1 . 1 45 45 LEU HD21 H 1 0.893 0.003 . 1 . . . . A 41 LEU HD21 . 52652 1 93 . 1 . 1 45 45 LEU HD22 H 1 0.893 0.003 . 1 . . . . A 41 LEU HD22 . 52652 1 94 . 1 . 1 45 45 LEU HD23 H 1 0.893 0.003 . 1 . . . . A 41 LEU HD23 . 52652 1 95 . 1 . 1 45 45 LEU CD1 C 13 21.839 0.010 . 1 . . . . A 41 LEU CD1 . 52652 1 96 . 1 . 1 45 45 LEU CD2 C 13 26.502 0.028 . 1 . . . . A 41 LEU CD2 . 52652 1 97 . 1 . 1 49 49 LEU HD11 H 1 0.815 0.004 . 1 . . . . A 45 LEU HD11 . 52652 1 98 . 1 . 1 49 49 LEU HD12 H 1 0.815 0.004 . 1 . . . . A 45 LEU HD12 . 52652 1 99 . 1 . 1 49 49 LEU HD13 H 1 0.815 0.004 . 1 . . . . A 45 LEU HD13 . 52652 1 100 . 1 . 1 49 49 LEU HD21 H 1 0.973 0.002 . 1 . . . . A 45 LEU HD21 . 52652 1 101 . 1 . 1 49 49 LEU HD22 H 1 0.973 0.002 . 1 . . . . A 45 LEU HD22 . 52652 1 102 . 1 . 1 49 49 LEU HD23 H 1 0.973 0.002 . 1 . . . . A 45 LEU HD23 . 52652 1 103 . 1 . 1 49 49 LEU CD1 C 13 26.866 0.032 . 1 . . . . A 45 LEU CD1 . 52652 1 104 . 1 . 1 49 49 LEU CD2 C 13 23.561 0.017 . 1 . . . . A 45 LEU CD2 . 52652 1 105 . 1 . 1 52 52 VAL HG11 H 1 0.014 0.002 . 1 . . . . A 48 VAL HG11 . 52652 1 106 . 1 . 1 52 52 VAL HG12 H 1 0.014 0.002 . 1 . . . . A 48 VAL HG12 . 52652 1 107 . 1 . 1 52 52 VAL HG13 H 1 0.014 0.002 . 1 . . . . A 48 VAL HG13 . 52652 1 108 . 1 . 1 52 52 VAL HG21 H 1 0.889 0.004 . 1 . . . . A 48 VAL HG21 . 52652 1 109 . 1 . 1 52 52 VAL HG22 H 1 0.889 0.004 . 1 . . . . A 48 VAL HG22 . 52652 1 110 . 1 . 1 52 52 VAL HG23 H 1 0.889 0.004 . 1 . . . . A 48 VAL HG23 . 52652 1 111 . 1 . 1 52 52 VAL CG1 C 13 20.259 0.014 . 1 . . . . A 48 VAL CG1 . 52652 1 112 . 1 . 1 52 52 VAL CG2 C 13 22.341 0.026 . 1 . . . . A 48 VAL CG2 . 52652 1 113 . 1 . 1 55 55 VAL HG11 H 1 0.851 0.004 . 1 . . . . A 51 VAL HG11 . 52652 1 114 . 1 . 1 55 55 VAL HG12 H 1 0.851 0.004 . 1 . . . . A 51 VAL HG12 . 52652 1 115 . 1 . 1 55 55 VAL HG13 H 1 0.851 0.004 . 1 . . . . A 51 VAL HG13 . 52652 1 116 . 1 . 1 55 55 VAL HG21 H 1 0.899 0.001 . 1 . . . . A 51 VAL HG21 . 52652 1 117 . 1 . 1 55 55 VAL HG22 H 1 0.899 0.001 . 1 . . . . A 51 VAL HG22 . 52652 1 118 . 1 . 1 55 55 VAL HG23 H 1 0.899 0.001 . 1 . . . . A 51 VAL HG23 . 52652 1 119 . 1 . 1 55 55 VAL CG1 C 13 20.918 0.032 . 1 . . . . A 51 VAL CG1 . 52652 1 120 . 1 . 1 55 55 VAL CG2 C 13 20.402 0.011 . 1 . . . . A 51 VAL CG2 . 52652 1 121 . 1 . 1 57 57 ILE HD11 H 1 0.733 0.003 . 1 . . . . A 53 ILE HD11 . 52652 1 122 . 1 . 1 57 57 ILE HD12 H 1 0.733 0.003 . 1 . . . . A 53 ILE HD12 . 52652 1 123 . 1 . 1 57 57 ILE HD13 H 1 0.733 0.003 . 1 . . . . A 53 ILE HD13 . 52652 1 124 . 1 . 1 57 57 ILE CD1 C 13 13.388 0.014 . 1 . . . . A 53 ILE CD1 . 52652 1 125 . 1 . 1 62 62 LEU HD11 H 1 0.903 0.003 . 1 . . . . A 58 LEU HD11 . 52652 1 126 . 1 . 1 62 62 LEU HD12 H 1 0.903 0.003 . 1 . . . . A 58 LEU HD12 . 52652 1 127 . 1 . 1 62 62 LEU HD13 H 1 0.903 0.003 . 1 . . . . A 58 LEU HD13 . 52652 1 128 . 1 . 1 62 62 LEU HD21 H 1 0.617 0.003 . 1 . . . . A 58 LEU HD21 . 52652 1 129 . 1 . 1 62 62 LEU HD22 H 1 0.617 0.003 . 1 . . . . A 58 LEU HD22 . 52652 1 130 . 1 . 1 62 62 LEU HD23 H 1 0.617 0.003 . 1 . . . . A 58 LEU HD23 . 52652 1 131 . 1 . 1 62 62 LEU CD1 C 13 26.358 0.022 . 1 . . . . A 58 LEU CD1 . 52652 1 132 . 1 . 1 62 62 LEU CD2 C 13 23.245 0.017 . 1 . . . . A 58 LEU CD2 . 52652 1 133 . 1 . 1 68 68 VAL HG11 H 1 0.819 0.003 . 1 . . . . A 64 VAL HG11 . 52652 1 134 . 1 . 1 68 68 VAL HG12 H 1 0.819 0.003 . 1 . . . . A 64 VAL HG12 . 52652 1 135 . 1 . 1 68 68 VAL HG13 H 1 0.819 0.003 . 1 . . . . A 64 VAL HG13 . 52652 1 136 . 1 . 1 68 68 VAL HG21 H 1 1.091 0.003 . 1 . . . . A 64 VAL HG21 . 52652 1 137 . 1 . 1 68 68 VAL HG22 H 1 1.091 0.003 . 1 . . . . A 64 VAL HG22 . 52652 1 138 . 1 . 1 68 68 VAL HG23 H 1 1.091 0.003 . 1 . . . . A 64 VAL HG23 . 52652 1 139 . 1 . 1 68 68 VAL CG1 C 13 20.909 0.009 . 1 . . . . A 64 VAL CG1 . 52652 1 140 . 1 . 1 68 68 VAL CG2 C 13 24.538 0.019 . 1 . . . . A 64 VAL CG2 . 52652 1 141 . 1 . 1 71 71 VAL HG11 H 1 0.728 0.003 . 1 . . . . A 67 VAL HG11 . 52652 1 142 . 1 . 1 71 71 VAL HG12 H 1 0.728 0.003 . 1 . . . . A 67 VAL HG12 . 52652 1 143 . 1 . 1 71 71 VAL HG13 H 1 0.728 0.003 . 1 . . . . A 67 VAL HG13 . 52652 1 144 . 1 . 1 71 71 VAL HG21 H 1 0.863 0.003 . 1 . . . . A 67 VAL HG21 . 52652 1 145 . 1 . 1 71 71 VAL HG22 H 1 0.863 0.003 . 1 . . . . A 67 VAL HG22 . 52652 1 146 . 1 . 1 71 71 VAL HG23 H 1 0.863 0.003 . 1 . . . . A 67 VAL HG23 . 52652 1 147 . 1 . 1 71 71 VAL CG1 C 13 22.027 0.015 . 1 . . . . A 67 VAL CG1 . 52652 1 148 . 1 . 1 71 71 VAL CG2 C 13 22.726 0.019 . 1 . . . . A 67 VAL CG2 . 52652 1 149 . 1 . 1 75 75 MET HE1 H 1 1.629 0.003 . 1 . . . . A 71 MET HE1 . 52652 1 150 . 1 . 1 75 75 MET HE2 H 1 1.629 0.003 . 1 . . . . A 71 MET HE2 . 52652 1 151 . 1 . 1 75 75 MET HE3 H 1 1.629 0.003 . 1 . . . . A 71 MET HE3 . 52652 1 152 . 1 . 1 75 75 MET CE C 13 18.037 0.010 . 1 . . . . A 71 MET CE . 52652 1 153 . 1 . 1 84 84 ILE HD11 H 1 0.813 0.002 . 1 . . . . A 80 ILE HD11 . 52652 1 154 . 1 . 1 84 84 ILE HD12 H 1 0.813 0.002 . 1 . . . . A 80 ILE HD12 . 52652 1 155 . 1 . 1 84 84 ILE HD13 H 1 0.813 0.002 . 1 . . . . A 80 ILE HD13 . 52652 1 156 . 1 . 1 84 84 ILE CD1 C 13 12.324 0.016 . 1 . . . . A 80 ILE CD1 . 52652 1 157 . 1 . 1 87 87 LEU HD11 H 1 0.621 0.002 . 1 . . . . A 83 LEU HD11 . 52652 1 158 . 1 . 1 87 87 LEU HD12 H 1 0.621 0.002 . 1 . . . . A 83 LEU HD12 . 52652 1 159 . 1 . 1 87 87 LEU HD13 H 1 0.621 0.002 . 1 . . . . A 83 LEU HD13 . 52652 1 160 . 1 . 1 87 87 LEU HD21 H 1 0.532 0.004 . 1 . . . . A 83 LEU HD21 . 52652 1 161 . 1 . 1 87 87 LEU HD22 H 1 0.532 0.004 . 1 . . . . A 83 LEU HD22 . 52652 1 162 . 1 . 1 87 87 LEU HD23 H 1 0.532 0.004 . 1 . . . . A 83 LEU HD23 . 52652 1 163 . 1 . 1 87 87 LEU CD1 C 13 23.402 0.011 . 1 . . . . A 83 LEU CD1 . 52652 1 164 . 1 . 1 87 87 LEU CD2 C 13 26.045 0.017 . 1 . . . . A 83 LEU CD2 . 52652 1 165 . 1 . 1 91 91 LEU HD11 H 1 1.264 0.002 . 1 . . . . A 87 LEU HD11 . 52652 1 166 . 1 . 1 91 91 LEU HD12 H 1 1.264 0.002 . 1 . . . . A 87 LEU HD12 . 52652 1 167 . 1 . 1 91 91 LEU HD13 H 1 1.264 0.002 . 1 . . . . A 87 LEU HD13 . 52652 1 168 . 1 . 1 91 91 LEU HD21 H 1 1.017 0.001 . 1 . . . . A 87 LEU HD21 . 52652 1 169 . 1 . 1 91 91 LEU HD22 H 1 1.017 0.001 . 1 . . . . A 87 LEU HD22 . 52652 1 170 . 1 . 1 91 91 LEU HD23 H 1 1.017 0.001 . 1 . . . . A 87 LEU HD23 . 52652 1 171 . 1 . 1 91 91 LEU CD1 C 13 25.649 0.015 . 1 . . . . A 87 LEU CD1 . 52652 1 172 . 1 . 1 91 91 LEU CD2 C 13 22.905 0.010 . 1 . . . . A 87 LEU CD2 . 52652 1 173 . 1 . 1 99 99 VAL HG11 H 1 1.052 0.006 . 1 . . . . A 95 VAL HG11 . 52652 1 174 . 1 . 1 99 99 VAL HG12 H 1 1.052 0.006 . 1 . . . . A 95 VAL HG12 . 52652 1 175 . 1 . 1 99 99 VAL HG13 H 1 1.052 0.006 . 1 . . . . A 95 VAL HG13 . 52652 1 176 . 1 . 1 99 99 VAL HG21 H 1 1.051 0.001 . 1 . . . . A 95 VAL HG21 . 52652 1 177 . 1 . 1 99 99 VAL HG22 H 1 1.051 0.001 . 1 . . . . A 95 VAL HG22 . 52652 1 178 . 1 . 1 99 99 VAL HG23 H 1 1.051 0.001 . 1 . . . . A 95 VAL HG23 . 52652 1 179 . 1 . 1 99 99 VAL CG1 C 13 21.512 0.026 . 1 . . . . A 95 VAL CG1 . 52652 1 180 . 1 . 1 99 99 VAL CG2 C 13 20.958 0.014 . 1 . . . . A 95 VAL CG2 . 52652 1 181 . 1 . 1 110 110 LEU HD11 H 1 1.024 0.001 . 1 . . . . A 106 LEU HD11 . 52652 1 182 . 1 . 1 110 110 LEU HD12 H 1 1.024 0.001 . 1 . . . . A 106 LEU HD12 . 52652 1 183 . 1 . 1 110 110 LEU HD13 H 1 1.024 0.001 . 1 . . . . A 106 LEU HD13 . 52652 1 184 . 1 . 1 110 110 LEU HD21 H 1 1.075 0.001 . 1 . . . . A 106 LEU HD21 . 52652 1 185 . 1 . 1 110 110 LEU HD22 H 1 1.075 0.001 . 1 . . . . A 106 LEU HD22 . 52652 1 186 . 1 . 1 110 110 LEU HD23 H 1 1.075 0.001 . 1 . . . . A 106 LEU HD23 . 52652 1 187 . 1 . 1 110 110 LEU CD1 C 13 24.796 0.010 . 1 . . . . A 106 LEU CD1 . 52652 1 188 . 1 . 1 110 110 LEU CD2 C 13 23.564 0.006 . 1 . . . . A 106 LEU CD2 . 52652 1 189 . 1 . 1 111 111 ILE HD11 H 1 0.865 0.001 . 1 . . . . A 107 ILE HD11 . 52652 1 190 . 1 . 1 111 111 ILE HD12 H 1 0.865 0.001 . 1 . . . . A 107 ILE HD12 . 52652 1 191 . 1 . 1 111 111 ILE HD13 H 1 0.865 0.001 . 1 . . . . A 107 ILE HD13 . 52652 1 192 . 1 . 1 111 111 ILE CD1 C 13 12.173 0.017 . 1 . . . . A 107 ILE CD1 . 52652 1 193 . 1 . 1 127 127 VAL HG11 H 1 0.959 0.003 . 1 . . . . A 123 VAL HG11 . 52652 1 194 . 1 . 1 127 127 VAL HG12 H 1 0.959 0.003 . 1 . . . . A 123 VAL HG12 . 52652 1 195 . 1 . 1 127 127 VAL HG13 H 1 0.959 0.003 . 1 . . . . A 123 VAL HG13 . 52652 1 196 . 1 . 1 127 127 VAL HG21 H 1 0.968 0.003 . 1 . . . . A 123 VAL HG21 . 52652 1 197 . 1 . 1 127 127 VAL HG22 H 1 0.968 0.003 . 1 . . . . A 123 VAL HG22 . 52652 1 198 . 1 . 1 127 127 VAL HG23 H 1 0.968 0.003 . 1 . . . . A 123 VAL HG23 . 52652 1 199 . 1 . 1 127 127 VAL CG1 C 13 21.156 0.023 . 1 . . . . A 123 VAL CG1 . 52652 1 200 . 1 . 1 127 127 VAL CG2 C 13 21.724 0.019 . 1 . . . . A 123 VAL CG2 . 52652 1 201 . 1 . 1 129 129 LEU HD11 H 1 0.309 0.003 . 1 . . . . A 125 LEU HD11 . 52652 1 202 . 1 . 1 129 129 LEU HD12 H 1 0.309 0.003 . 1 . . . . A 125 LEU HD12 . 52652 1 203 . 1 . 1 129 129 LEU HD13 H 1 0.309 0.003 . 1 . . . . A 125 LEU HD13 . 52652 1 204 . 1 . 1 129 129 LEU HD21 H 1 0.581 0.003 . 1 . . . . A 125 LEU HD21 . 52652 1 205 . 1 . 1 129 129 LEU HD22 H 1 0.581 0.003 . 1 . . . . A 125 LEU HD22 . 52652 1 206 . 1 . 1 129 129 LEU HD23 H 1 0.581 0.003 . 1 . . . . A 125 LEU HD23 . 52652 1 207 . 1 . 1 129 129 LEU CD1 C 13 23.909 0.017 . 1 . . . . A 125 LEU CD1 . 52652 1 208 . 1 . 1 129 129 LEU CD2 C 13 22.736 0.016 . 1 . . . . A 125 LEU CD2 . 52652 1 209 . 1 . 1 138 138 LEU HD11 H 1 0.846 0.003 . 1 . . . . A 134 LEU HD11 . 52652 1 210 . 1 . 1 138 138 LEU HD12 H 1 0.846 0.003 . 1 . . . . A 134 LEU HD12 . 52652 1 211 . 1 . 1 138 138 LEU HD13 H 1 0.846 0.003 . 1 . . . . A 134 LEU HD13 . 52652 1 212 . 1 . 1 138 138 LEU HD21 H 1 0.954 0.005 . 1 . . . . A 134 LEU HD21 . 52652 1 213 . 1 . 1 138 138 LEU HD22 H 1 0.954 0.005 . 1 . . . . A 134 LEU HD22 . 52652 1 214 . 1 . 1 138 138 LEU HD23 H 1 0.954 0.005 . 1 . . . . A 134 LEU HD23 . 52652 1 215 . 1 . 1 138 138 LEU CD1 C 13 23.807 0.020 . 1 . . . . A 134 LEU CD1 . 52652 1 216 . 1 . 1 138 138 LEU CD2 C 13 25.149 0.021 . 1 . . . . A 134 LEU CD2 . 52652 1 217 . 1 . 1 142 142 VAL HG11 H 1 1.169 0.002 . 1 . . . . A 138 VAL HG11 . 52652 1 218 . 1 . 1 142 142 VAL HG12 H 1 1.169 0.002 . 1 . . . . A 138 VAL HG12 . 52652 1 219 . 1 . 1 142 142 VAL HG13 H 1 1.169 0.002 . 1 . . . . A 138 VAL HG13 . 52652 1 220 . 1 . 1 142 142 VAL HG21 H 1 1.355 0.003 . 1 . . . . A 138 VAL HG21 . 52652 1 221 . 1 . 1 142 142 VAL HG22 H 1 1.355 0.003 . 1 . . . . A 138 VAL HG22 . 52652 1 222 . 1 . 1 142 142 VAL HG23 H 1 1.355 0.003 . 1 . . . . A 138 VAL HG23 . 52652 1 223 . 1 . 1 142 142 VAL CG1 C 13 23.302 0.016 . 1 . . . . A 138 VAL CG1 . 52652 1 224 . 1 . 1 142 142 VAL CG2 C 13 25.071 0.021 . 1 . . . . A 138 VAL CG2 . 52652 1 225 . 1 . 1 145 145 VAL HG11 H 1 0.989 0.004 . 1 . . . . A 141 VAL HG11 . 52652 1 226 . 1 . 1 145 145 VAL HG12 H 1 0.989 0.004 . 1 . . . . A 141 VAL HG12 . 52652 1 227 . 1 . 1 145 145 VAL HG13 H 1 0.989 0.004 . 1 . . . . A 141 VAL HG13 . 52652 1 228 . 1 . 1 145 145 VAL HG21 H 1 0.831 0.002 . 1 . . . . A 141 VAL HG21 . 52652 1 229 . 1 . 1 145 145 VAL HG22 H 1 0.831 0.002 . 1 . . . . A 141 VAL HG22 . 52652 1 230 . 1 . 1 145 145 VAL HG23 H 1 0.831 0.002 . 1 . . . . A 141 VAL HG23 . 52652 1 231 . 1 . 1 145 145 VAL CG1 C 13 22.222 0.025 . 1 . . . . A 141 VAL CG1 . 52652 1 232 . 1 . 1 145 145 VAL CG2 C 13 22.421 0.027 . 1 . . . . A 141 VAL CG2 . 52652 1 233 . 1 . 1 146 146 LEU HD11 H 1 0.919 0.005 . 1 . . . . A 142 LEU HD11 . 52652 1 234 . 1 . 1 146 146 LEU HD12 H 1 0.919 0.005 . 1 . . . . A 142 LEU HD12 . 52652 1 235 . 1 . 1 146 146 LEU HD13 H 1 0.919 0.005 . 1 . . . . A 142 LEU HD13 . 52652 1 236 . 1 . 1 146 146 LEU HD21 H 1 0.818 0.004 . 1 . . . . A 142 LEU HD21 . 52652 1 237 . 1 . 1 146 146 LEU HD22 H 1 0.818 0.004 . 1 . . . . A 142 LEU HD22 . 52652 1 238 . 1 . 1 146 146 LEU HD23 H 1 0.818 0.004 . 1 . . . . A 142 LEU HD23 . 52652 1 239 . 1 . 1 146 146 LEU CD1 C 13 24.032 0.025 . 1 . . . . A 142 LEU CD1 . 52652 1 240 . 1 . 1 146 146 LEU CD2 C 13 25.290 0.022 . 1 . . . . A 142 LEU CD2 . 52652 1 241 . 1 . 1 151 151 VAL HG11 H 1 0.987 0.003 . 1 . . . . A 147 VAL HG11 . 52652 1 242 . 1 . 1 151 151 VAL HG12 H 1 0.987 0.003 . 1 . . . . A 147 VAL HG12 . 52652 1 243 . 1 . 1 151 151 VAL HG13 H 1 0.987 0.003 . 1 . . . . A 147 VAL HG13 . 52652 1 244 . 1 . 1 151 151 VAL HG21 H 1 1.062 0.002 . 1 . . . . A 147 VAL HG21 . 52652 1 245 . 1 . 1 151 151 VAL HG22 H 1 1.062 0.002 . 1 . . . . A 147 VAL HG22 . 52652 1 246 . 1 . 1 151 151 VAL HG23 H 1 1.062 0.002 . 1 . . . . A 147 VAL HG23 . 52652 1 247 . 1 . 1 151 151 VAL CG1 C 13 21.924 0.024 . 1 . . . . A 147 VAL CG1 . 52652 1 248 . 1 . 1 151 151 VAL CG2 C 13 23.150 0.016 . 1 . . . . A 147 VAL CG2 . 52652 1 249 . 1 . 1 152 152 LEU HD11 H 1 1.145 0.003 . 1 . . . . A 148 LEU HD11 . 52652 1 250 . 1 . 1 152 152 LEU HD12 H 1 1.145 0.003 . 1 . . . . A 148 LEU HD12 . 52652 1 251 . 1 . 1 152 152 LEU HD13 H 1 1.145 0.003 . 1 . . . . A 148 LEU HD13 . 52652 1 252 . 1 . 1 152 152 LEU HD21 H 1 0.873 0.004 . 1 . . . . A 148 LEU HD21 . 52652 1 253 . 1 . 1 152 152 LEU HD22 H 1 0.873 0.004 . 1 . . . . A 148 LEU HD22 . 52652 1 254 . 1 . 1 152 152 LEU HD23 H 1 0.873 0.004 . 1 . . . . A 148 LEU HD23 . 52652 1 255 . 1 . 1 152 152 LEU CD1 C 13 27.091 0.016 . 1 . . . . A 148 LEU CD1 . 52652 1 256 . 1 . 1 152 152 LEU CD2 C 13 22.601 0.032 . 1 . . . . A 148 LEU CD2 . 52652 1 257 . 1 . 1 158 158 LEU HD11 H 1 0.701 0.002 . 1 . . . . A 154 LEU HD11 . 52652 1 258 . 1 . 1 158 158 LEU HD12 H 1 0.701 0.002 . 1 . . . . A 154 LEU HD12 . 52652 1 259 . 1 . 1 158 158 LEU HD13 H 1 0.701 0.002 . 1 . . . . A 154 LEU HD13 . 52652 1 260 . 1 . 1 158 158 LEU HD21 H 1 0.646 0.003 . 1 . . . . A 154 LEU HD21 . 52652 1 261 . 1 . 1 158 158 LEU HD22 H 1 0.646 0.003 . 1 . . . . A 154 LEU HD22 . 52652 1 262 . 1 . 1 158 158 LEU HD23 H 1 0.646 0.003 . 1 . . . . A 154 LEU HD23 . 52652 1 263 . 1 . 1 158 158 LEU CD1 C 13 24.204 0.011 . 1 . . . . A 154 LEU CD1 . 52652 1 264 . 1 . 1 158 158 LEU CD2 C 13 24.104 0.019 . 1 . . . . A 154 LEU CD2 . 52652 1 265 . 1 . 1 163 163 LEU HD11 H 1 -0.682 0.004 . 1 . . . . A 159 LEU HD11 . 52652 1 266 . 1 . 1 163 163 LEU HD12 H 1 -0.682 0.004 . 1 . . . . A 159 LEU HD12 . 52652 1 267 . 1 . 1 163 163 LEU HD13 H 1 -0.682 0.004 . 1 . . . . A 159 LEU HD13 . 52652 1 268 . 1 . 1 163 163 LEU HD21 H 1 0.267 0.003 . 1 . . . . A 159 LEU HD21 . 52652 1 269 . 1 . 1 163 163 LEU HD22 H 1 0.267 0.003 . 1 . . . . A 159 LEU HD22 . 52652 1 270 . 1 . 1 163 163 LEU HD23 H 1 0.267 0.003 . 1 . . . . A 159 LEU HD23 . 52652 1 271 . 1 . 1 163 163 LEU CD1 C 13 20.608 0.027 . 1 . . . . A 159 LEU CD1 . 52652 1 272 . 1 . 1 163 163 LEU CD2 C 13 25.242 0.016 . 1 . . . . A 159 LEU CD2 . 52652 1 273 . 1 . 1 167 167 VAL HG21 H 1 0.920 0.005 . 1 . . . . A 163 VAL HG21 . 52652 1 274 . 1 . 1 167 167 VAL HG22 H 1 0.920 0.005 . 1 . . . . A 163 VAL HG22 . 52652 1 275 . 1 . 1 167 167 VAL HG23 H 1 0.920 0.005 . 1 . . . . A 163 VAL HG23 . 52652 1 276 . 1 . 1 167 167 VAL CG2 C 13 20.556 0.027 . 1 . . . . A 163 VAL CG2 . 52652 1 277 . 1 . 1 174 174 VAL HG11 H 1 0.932 0.004 . 1 . . . . A 170 VAL HG11 . 52652 1 278 . 1 . 1 174 174 VAL HG12 H 1 0.932 0.004 . 1 . . . . A 170 VAL HG12 . 52652 1 279 . 1 . 1 174 174 VAL HG13 H 1 0.932 0.004 . 1 . . . . A 170 VAL HG13 . 52652 1 280 . 1 . 1 174 174 VAL HG21 H 1 0.938 0.002 . 1 . . . . A 170 VAL HG21 . 52652 1 281 . 1 . 1 174 174 VAL HG22 H 1 0.938 0.002 . 1 . . . . A 170 VAL HG22 . 52652 1 282 . 1 . 1 174 174 VAL HG23 H 1 0.938 0.002 . 1 . . . . A 170 VAL HG23 . 52652 1 283 . 1 . 1 174 174 VAL CG1 C 13 18.377 0.016 . 1 . . . . A 170 VAL CG1 . 52652 1 284 . 1 . 1 174 174 VAL CG2 C 13 21.638 0.018 . 1 . . . . A 170 VAL CG2 . 52652 1 285 . 1 . 1 175 175 VAL HG11 H 1 0.866 0.005 . 1 . . . . A 171 VAL HG11 . 52652 1 286 . 1 . 1 175 175 VAL HG12 H 1 0.866 0.005 . 1 . . . . A 171 VAL HG12 . 52652 1 287 . 1 . 1 175 175 VAL HG13 H 1 0.866 0.005 . 1 . . . . A 171 VAL HG13 . 52652 1 288 . 1 . 1 175 175 VAL HG21 H 1 0.948 0.003 . 1 . . . . A 171 VAL HG21 . 52652 1 289 . 1 . 1 175 175 VAL HG22 H 1 0.948 0.003 . 1 . . . . A 171 VAL HG22 . 52652 1 290 . 1 . 1 175 175 VAL HG23 H 1 0.948 0.003 . 1 . . . . A 171 VAL HG23 . 52652 1 291 . 1 . 1 175 175 VAL CG1 C 13 20.829 0.020 . 1 . . . . A 171 VAL CG1 . 52652 1 292 . 1 . 1 175 175 VAL CG2 C 13 19.640 0.013 . 1 . . . . A 171 VAL CG2 . 52652 1 293 . 1 . 1 178 178 VAL HG11 H 1 1.039 0.001 . 1 . . . . A 174 VAL HG11 . 52652 1 294 . 1 . 1 178 178 VAL HG12 H 1 1.039 0.001 . 1 . . . . A 174 VAL HG12 . 52652 1 295 . 1 . 1 178 178 VAL HG13 H 1 1.039 0.001 . 1 . . . . A 174 VAL HG13 . 52652 1 296 . 1 . 1 178 178 VAL HG21 H 1 1.088 0.003 . 1 . . . . A 174 VAL HG21 . 52652 1 297 . 1 . 1 178 178 VAL HG22 H 1 1.088 0.003 . 1 . . . . A 174 VAL HG22 . 52652 1 298 . 1 . 1 178 178 VAL HG23 H 1 1.088 0.003 . 1 . . . . A 174 VAL HG23 . 52652 1 299 . 1 . 1 178 178 VAL CG1 C 13 21.063 0.010 . 1 . . . . A 174 VAL CG1 . 52652 1 300 . 1 . 1 178 178 VAL CG2 C 13 22.904 0.014 . 1 . . . . A 174 VAL CG2 . 52652 1 301 . 1 . 1 187 187 LEU HD11 H 1 -0.113 0.003 . 1 . . . . A 183 LEU HD11 . 52652 1 302 . 1 . 1 187 187 LEU HD12 H 1 -0.113 0.003 . 1 . . . . A 183 LEU HD12 . 52652 1 303 . 1 . 1 187 187 LEU HD13 H 1 -0.113 0.003 . 1 . . . . A 183 LEU HD13 . 52652 1 304 . 1 . 1 187 187 LEU HD21 H 1 0.314 0.002 . 1 . . . . A 183 LEU HD21 . 52652 1 305 . 1 . 1 187 187 LEU HD22 H 1 0.314 0.002 . 1 . . . . A 183 LEU HD22 . 52652 1 306 . 1 . 1 187 187 LEU HD23 H 1 0.314 0.002 . 1 . . . . A 183 LEU HD23 . 52652 1 307 . 1 . 1 187 187 LEU CD1 C 13 21.775 0.016 . 1 . . . . A 183 LEU CD1 . 52652 1 308 . 1 . 1 187 187 LEU CD2 C 13 24.397 0.015 . 1 . . . . A 183 LEU CD2 . 52652 1 309 . 1 . 1 190 190 LEU HD11 H 1 0.654 0.002 . 1 . . . . A 186 LEU HD11 . 52652 1 310 . 1 . 1 190 190 LEU HD12 H 1 0.654 0.002 . 1 . . . . A 186 LEU HD12 . 52652 1 311 . 1 . 1 190 190 LEU HD13 H 1 0.654 0.002 . 1 . . . . A 186 LEU HD13 . 52652 1 312 . 1 . 1 190 190 LEU HD21 H 1 0.722 0.002 . 1 . . . . A 186 LEU HD21 . 52652 1 313 . 1 . 1 190 190 LEU HD22 H 1 0.722 0.002 . 1 . . . . A 186 LEU HD22 . 52652 1 314 . 1 . 1 190 190 LEU HD23 H 1 0.722 0.002 . 1 . . . . A 186 LEU HD23 . 52652 1 315 . 1 . 1 190 190 LEU CD1 C 13 26.061 0.014 . 1 . . . . A 186 LEU CD1 . 52652 1 316 . 1 . 1 190 190 LEU CD2 C 13 22.827 0.016 . 1 . . . . A 186 LEU CD2 . 52652 1 317 . 1 . 1 191 191 VAL HG11 H 1 0.582 0.001 . 1 . . . . A 187 VAL HG11 . 52652 1 318 . 1 . 1 191 191 VAL HG12 H 1 0.582 0.001 . 1 . . . . A 187 VAL HG12 . 52652 1 319 . 1 . 1 191 191 VAL HG13 H 1 0.582 0.001 . 1 . . . . A 187 VAL HG13 . 52652 1 320 . 1 . 1 191 191 VAL HG21 H 1 -0.084 0.004 . 1 . . . . A 187 VAL HG21 . 52652 1 321 . 1 . 1 191 191 VAL HG22 H 1 -0.084 0.004 . 1 . . . . A 187 VAL HG22 . 52652 1 322 . 1 . 1 191 191 VAL HG23 H 1 -0.084 0.004 . 1 . . . . A 187 VAL HG23 . 52652 1 323 . 1 . 1 191 191 VAL CG1 C 13 19.789 0.008 . 1 . . . . A 187 VAL CG1 . 52652 1 324 . 1 . 1 191 191 VAL CG2 C 13 20.787 0.014 . 1 . . . . A 187 VAL CG2 . 52652 1 325 . 1 . 1 194 194 VAL HG11 H 1 0.630 0.005 . 1 . . . . A 190 VAL HG11 . 52652 1 326 . 1 . 1 194 194 VAL HG12 H 1 0.630 0.005 . 1 . . . . A 190 VAL HG12 . 52652 1 327 . 1 . 1 194 194 VAL HG13 H 1 0.630 0.005 . 1 . . . . A 190 VAL HG13 . 52652 1 328 . 1 . 1 194 194 VAL HG21 H 1 0.818 0.003 . 1 . . . . A 190 VAL HG21 . 52652 1 329 . 1 . 1 194 194 VAL HG22 H 1 0.818 0.003 . 1 . . . . A 190 VAL HG22 . 52652 1 330 . 1 . 1 194 194 VAL HG23 H 1 0.818 0.003 . 1 . . . . A 190 VAL HG23 . 52652 1 331 . 1 . 1 194 194 VAL CG1 C 13 21.662 0.014 . 1 . . . . A 190 VAL CG1 . 52652 1 332 . 1 . 1 194 194 VAL CG2 C 13 23.030 0.017 . 1 . . . . A 190 VAL CG2 . 52652 1 333 . 1 . 1 197 197 LEU HD11 H 1 0.795 0.003 . 1 . . . . A 193 LEU HD11 . 52652 1 334 . 1 . 1 197 197 LEU HD12 H 1 0.795 0.003 . 1 . . . . A 193 LEU HD12 . 52652 1 335 . 1 . 1 197 197 LEU HD13 H 1 0.795 0.003 . 1 . . . . A 193 LEU HD13 . 52652 1 336 . 1 . 1 197 197 LEU HD21 H 1 0.761 0.002 . 1 . . . . A 193 LEU HD21 . 52652 1 337 . 1 . 1 197 197 LEU HD22 H 1 0.761 0.002 . 1 . . . . A 193 LEU HD22 . 52652 1 338 . 1 . 1 197 197 LEU HD23 H 1 0.761 0.002 . 1 . . . . A 193 LEU HD23 . 52652 1 339 . 1 . 1 197 197 LEU CD1 C 13 25.646 0.015 . 1 . . . . A 193 LEU CD1 . 52652 1 340 . 1 . 1 197 197 LEU CD2 C 13 23.026 0.023 . 1 . . . . A 193 LEU CD2 . 52652 1 341 . 1 . 1 199 199 LEU HD21 H 1 0.600 0.003 . 1 . . . . A 195 LEU HD21 . 52652 1 342 . 1 . 1 199 199 LEU HD22 H 1 0.600 0.003 . 1 . . . . A 195 LEU HD22 . 52652 1 343 . 1 . 1 199 199 LEU HD23 H 1 0.600 0.003 . 1 . . . . A 195 LEU HD23 . 52652 1 344 . 1 . 1 199 199 LEU CD2 C 13 21.616 0.030 . 1 . . . . A 195 LEU CD2 . 52652 1 345 . 1 . 1 201 201 LEU HD11 H 1 0.441 0.006 . 1 . . . . A 197 LEU HD11 . 52652 1 346 . 1 . 1 201 201 LEU HD12 H 1 0.441 0.006 . 1 . . . . A 197 LEU HD12 . 52652 1 347 . 1 . 1 201 201 LEU HD13 H 1 0.441 0.006 . 1 . . . . A 197 LEU HD13 . 52652 1 348 . 1 . 1 201 201 LEU HD21 H 1 0.097 0.002 . 1 . . . . A 197 LEU HD21 . 52652 1 349 . 1 . 1 201 201 LEU HD22 H 1 0.097 0.002 . 1 . . . . A 197 LEU HD22 . 52652 1 350 . 1 . 1 201 201 LEU HD23 H 1 0.097 0.002 . 1 . . . . A 197 LEU HD23 . 52652 1 351 . 1 . 1 201 201 LEU CD1 C 13 25.323 0.028 . 1 . . . . A 197 LEU CD1 . 52652 1 352 . 1 . 1 201 201 LEU CD2 C 13 22.295 0.014 . 1 . . . . A 197 LEU CD2 . 52652 1 353 . 1 . 1 206 206 VAL HG11 H 1 1.028 0.002 . 1 . . . . A 202 VAL HG11 . 52652 1 354 . 1 . 1 206 206 VAL HG12 H 1 1.028 0.002 . 1 . . . . A 202 VAL HG12 . 52652 1 355 . 1 . 1 206 206 VAL HG13 H 1 1.028 0.002 . 1 . . . . A 202 VAL HG13 . 52652 1 356 . 1 . 1 206 206 VAL HG21 H 1 1.032 0.003 . 1 . . . . A 202 VAL HG21 . 52652 1 357 . 1 . 1 206 206 VAL HG22 H 1 1.032 0.003 . 1 . . . . A 202 VAL HG22 . 52652 1 358 . 1 . 1 206 206 VAL HG23 H 1 1.032 0.003 . 1 . . . . A 202 VAL HG23 . 52652 1 359 . 1 . 1 206 206 VAL CG1 C 13 20.900 0.020 . 1 . . . . A 202 VAL CG1 . 52652 1 360 . 1 . 1 206 206 VAL CG2 C 13 17.466 0.008 . 1 . . . . A 202 VAL CG2 . 52652 1 361 . 1 . 1 207 207 ILE HD11 H 1 0.517 0.004 . 1 . . . . A 203 ILE HD11 . 52652 1 362 . 1 . 1 207 207 ILE HD12 H 1 0.517 0.004 . 1 . . . . A 203 ILE HD12 . 52652 1 363 . 1 . 1 207 207 ILE HD13 H 1 0.517 0.004 . 1 . . . . A 203 ILE HD13 . 52652 1 364 . 1 . 1 207 207 ILE CD1 C 13 15.347 0.014 . 1 . . . . A 203 ILE CD1 . 52652 1 365 . 1 . 1 209 209 VAL HG11 H 1 0.866 0.003 . 1 . . . . A 205 VAL HG11 . 52652 1 366 . 1 . 1 209 209 VAL HG12 H 1 0.866 0.003 . 1 . . . . A 205 VAL HG12 . 52652 1 367 . 1 . 1 209 209 VAL HG13 H 1 0.866 0.003 . 1 . . . . A 205 VAL HG13 . 52652 1 368 . 1 . 1 209 209 VAL HG21 H 1 0.988 0.004 . 1 . . . . A 205 VAL HG21 . 52652 1 369 . 1 . 1 209 209 VAL HG22 H 1 0.988 0.004 . 1 . . . . A 205 VAL HG22 . 52652 1 370 . 1 . 1 209 209 VAL HG23 H 1 0.988 0.004 . 1 . . . . A 205 VAL HG23 . 52652 1 371 . 1 . 1 209 209 VAL CG1 C 13 20.803 0.024 . 1 . . . . A 205 VAL CG1 . 52652 1 372 . 1 . 1 209 209 VAL CG2 C 13 22.233 0.025 . 1 . . . . A 205 VAL CG2 . 52652 1 373 . 1 . 1 213 213 LEU HD11 H 1 0.926 0.005 . 1 . . . . A 209 LEU HD11 . 52652 1 374 . 1 . 1 213 213 LEU HD12 H 1 0.926 0.005 . 1 . . . . A 209 LEU HD12 . 52652 1 375 . 1 . 1 213 213 LEU HD13 H 1 0.926 0.005 . 1 . . . . A 209 LEU HD13 . 52652 1 376 . 1 . 1 213 213 LEU HD21 H 1 0.951 0.003 . 1 . . . . A 209 LEU HD21 . 52652 1 377 . 1 . 1 213 213 LEU HD22 H 1 0.951 0.003 . 1 . . . . A 209 LEU HD22 . 52652 1 378 . 1 . 1 213 213 LEU HD23 H 1 0.951 0.003 . 1 . . . . A 209 LEU HD23 . 52652 1 379 . 1 . 1 213 213 LEU CD1 C 13 25.246 0.019 . 1 . . . . A 209 LEU CD1 . 52652 1 380 . 1 . 1 213 213 LEU CD2 C 13 23.422 0.010 . 1 . . . . A 209 LEU CD2 . 52652 1 381 . 1 . 1 221 221 VAL HG11 H 1 0.847 0.004 . 1 . . . . A 217 VAL HG11 . 52652 1 382 . 1 . 1 221 221 VAL HG12 H 1 0.847 0.004 . 1 . . . . A 217 VAL HG12 . 52652 1 383 . 1 . 1 221 221 VAL HG13 H 1 0.847 0.004 . 1 . . . . A 217 VAL HG13 . 52652 1 384 . 1 . 1 221 221 VAL HG21 H 1 0.813 0.003 . 1 . . . . A 217 VAL HG21 . 52652 1 385 . 1 . 1 221 221 VAL HG22 H 1 0.813 0.003 . 1 . . . . A 217 VAL HG22 . 52652 1 386 . 1 . 1 221 221 VAL HG23 H 1 0.813 0.003 . 1 . . . . A 217 VAL HG23 . 52652 1 387 . 1 . 1 221 221 VAL CG1 C 13 20.856 0.025 . 1 . . . . A 217 VAL CG1 . 52652 1 388 . 1 . 1 221 221 VAL CG2 C 13 21.587 0.014 . 1 . . . . A 217 VAL CG2 . 52652 1 389 . 1 . 1 222 222 ILE HD11 H 1 0.373 0.001 . 1 . . . . A 218 ILE HD11 . 52652 1 390 . 1 . 1 222 222 ILE HD12 H 1 0.373 0.001 . 1 . . . . A 218 ILE HD12 . 52652 1 391 . 1 . 1 222 222 ILE HD13 H 1 0.373 0.001 . 1 . . . . A 218 ILE HD13 . 52652 1 392 . 1 . 1 222 222 ILE CD1 C 13 15.209 0.007 . 1 . . . . A 218 ILE CD1 . 52652 1 393 . 1 . 1 225 225 ILE HD11 H 1 0.629 0.004 . 1 . . . . A 221 ILE HD11 . 52652 1 394 . 1 . 1 225 225 ILE HD12 H 1 0.629 0.004 . 1 . . . . A 221 ILE HD12 . 52652 1 395 . 1 . 1 225 225 ILE HD13 H 1 0.629 0.004 . 1 . . . . A 221 ILE HD13 . 52652 1 396 . 1 . 1 225 225 ILE CD1 C 13 12.657 0.019 . 1 . . . . A 221 ILE CD1 . 52652 1 397 . 1 . 1 228 228 ILE HD11 H 1 0.016 0.002 . 1 . . . . A 224 ILE HD11 . 52652 1 398 . 1 . 1 228 228 ILE HD12 H 1 0.016 0.002 . 1 . . . . A 224 ILE HD12 . 52652 1 399 . 1 . 1 228 228 ILE HD13 H 1 0.016 0.002 . 1 . . . . A 224 ILE HD13 . 52652 1 400 . 1 . 1 228 228 ILE CD1 C 13 14.356 0.020 . 1 . . . . A 224 ILE CD1 . 52652 1 401 . 1 . 1 237 237 VAL HG11 H 1 0.729 0.004 . 1 . . . . A 233 VAL HG11 . 52652 1 402 . 1 . 1 237 237 VAL HG12 H 1 0.729 0.004 . 1 . . . . A 233 VAL HG12 . 52652 1 403 . 1 . 1 237 237 VAL HG13 H 1 0.729 0.004 . 1 . . . . A 233 VAL HG13 . 52652 1 404 . 1 . 1 237 237 VAL HG21 H 1 0.927 0.008 . 1 . . . . A 233 VAL HG21 . 52652 1 405 . 1 . 1 237 237 VAL HG22 H 1 0.927 0.008 . 1 . . . . A 233 VAL HG22 . 52652 1 406 . 1 . 1 237 237 VAL HG23 H 1 0.927 0.008 . 1 . . . . A 233 VAL HG23 . 52652 1 407 . 1 . 1 237 237 VAL CG1 C 13 22.300 0.016 . 1 . . . . A 233 VAL CG1 . 52652 1 408 . 1 . 1 237 237 VAL CG2 C 13 21.126 0.023 . 1 . . . . A 233 VAL CG2 . 52652 1 409 . 1 . 1 239 239 LEU HD11 H 1 0.887 0.003 . 1 . . . . A 235 LEU HD11 . 52652 1 410 . 1 . 1 239 239 LEU HD12 H 1 0.887 0.003 . 1 . . . . A 235 LEU HD12 . 52652 1 411 . 1 . 1 239 239 LEU HD13 H 1 0.887 0.003 . 1 . . . . A 235 LEU HD13 . 52652 1 412 . 1 . 1 239 239 LEU HD21 H 1 1.003 0.004 . 1 . . . . A 235 LEU HD21 . 52652 1 413 . 1 . 1 239 239 LEU HD22 H 1 1.003 0.004 . 1 . . . . A 235 LEU HD22 . 52652 1 414 . 1 . 1 239 239 LEU HD23 H 1 1.003 0.004 . 1 . . . . A 235 LEU HD23 . 52652 1 415 . 1 . 1 239 239 LEU CD1 C 13 25.515 0.023 . 1 . . . . A 235 LEU CD1 . 52652 1 416 . 1 . 1 239 239 LEU CD2 C 13 23.194 0.021 . 1 . . . . A 235 LEU CD2 . 52652 1 417 . 1 . 1 242 242 LEU HD11 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD11 . 52652 1 418 . 1 . 1 242 242 LEU HD12 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD12 . 52652 1 419 . 1 . 1 242 242 LEU HD13 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD13 . 52652 1 420 . 1 . 1 242 242 LEU HD21 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD21 . 52652 1 421 . 1 . 1 242 242 LEU HD22 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD22 . 52652 1 422 . 1 . 1 242 242 LEU HD23 H 1 0.846 0.003 . 1 . . . . A 238 LEU HD23 . 52652 1 423 . 1 . 1 242 242 LEU CD1 C 13 24.835 0.020 . 1 . . . . A 238 LEU CD1 . 52652 1 424 . 1 . 1 242 242 LEU CD2 C 13 26.320 0.022 . 1 . . . . A 238 LEU CD2 . 52652 1 425 . 1 . 1 243 243 LEU HD11 H 1 0.537 0.005 . 1 . . . . A 239 LEU HD11 . 52652 1 426 . 1 . 1 243 243 LEU HD12 H 1 0.537 0.005 . 1 . . . . A 239 LEU HD12 . 52652 1 427 . 1 . 1 243 243 LEU HD13 H 1 0.537 0.005 . 1 . . . . A 239 LEU HD13 . 52652 1 428 . 1 . 1 243 243 LEU HD21 H 1 0.478 0.004 . 1 . . . . A 239 LEU HD21 . 52652 1 429 . 1 . 1 243 243 LEU HD22 H 1 0.478 0.004 . 1 . . . . A 239 LEU HD22 . 52652 1 430 . 1 . 1 243 243 LEU HD23 H 1 0.478 0.004 . 1 . . . . A 239 LEU HD23 . 52652 1 431 . 1 . 1 243 243 LEU CD1 C 13 25.081 0.017 . 1 . . . . A 239 LEU CD1 . 52652 1 432 . 1 . 1 243 243 LEU CD2 C 13 20.219 0.013 . 1 . . . . A 239 LEU CD2 . 52652 1 433 . 1 . 1 249 249 LEU HD11 H 1 0.743 0.003 . 1 . . . . A 245 LEU HD11 . 52652 1 434 . 1 . 1 249 249 LEU HD12 H 1 0.743 0.003 . 1 . . . . A 245 LEU HD12 . 52652 1 435 . 1 . 1 249 249 LEU HD13 H 1 0.743 0.003 . 1 . . . . A 245 LEU HD13 . 52652 1 436 . 1 . 1 249 249 LEU HD21 H 1 0.886 0.004 . 1 . . . . A 245 LEU HD21 . 52652 1 437 . 1 . 1 249 249 LEU HD22 H 1 0.886 0.004 . 1 . . . . A 245 LEU HD22 . 52652 1 438 . 1 . 1 249 249 LEU HD23 H 1 0.886 0.004 . 1 . . . . A 245 LEU HD23 . 52652 1 439 . 1 . 1 249 249 LEU CD1 C 13 26.188 0.009 . 1 . . . . A 245 LEU CD1 . 52652 1 440 . 1 . 1 249 249 LEU CD2 C 13 22.080 0.011 . 1 . . . . A 245 LEU CD2 . 52652 1 441 . 1 . 1 255 255 VAL HG11 H 1 0.795 0.008 . 1 . . . . A 251 VAL HG11 . 52652 1 442 . 1 . 1 255 255 VAL HG12 H 1 0.795 0.008 . 1 . . . . A 251 VAL HG12 . 52652 1 443 . 1 . 1 255 255 VAL HG13 H 1 0.795 0.008 . 1 . . . . A 251 VAL HG13 . 52652 1 444 . 1 . 1 255 255 VAL HG21 H 1 0.942 0.002 . 1 . . . . A 251 VAL HG21 . 52652 1 445 . 1 . 1 255 255 VAL HG22 H 1 0.942 0.002 . 1 . . . . A 251 VAL HG22 . 52652 1 446 . 1 . 1 255 255 VAL HG23 H 1 0.942 0.002 . 1 . . . . A 251 VAL HG23 . 52652 1 447 . 1 . 1 255 255 VAL CG1 C 13 21.299 0.020 . 1 . . . . A 251 VAL CG1 . 52652 1 448 . 1 . 1 255 255 VAL CG2 C 13 21.546 0.013 . 1 . . . . A 251 VAL CG2 . 52652 1 449 . 1 . 1 260 260 LEU HD11 H 1 0.950 0.002 . 1 . . . . A 256 LEU HD11 . 52652 1 450 . 1 . 1 260 260 LEU HD12 H 1 0.950 0.002 . 1 . . . . A 256 LEU HD12 . 52652 1 451 . 1 . 1 260 260 LEU HD13 H 1 0.950 0.002 . 1 . . . . A 256 LEU HD13 . 52652 1 452 . 1 . 1 260 260 LEU HD21 H 1 0.835 0.002 . 1 . . . . A 256 LEU HD21 . 52652 1 453 . 1 . 1 260 260 LEU HD22 H 1 0.835 0.002 . 1 . . . . A 256 LEU HD22 . 52652 1 454 . 1 . 1 260 260 LEU HD23 H 1 0.835 0.002 . 1 . . . . A 256 LEU HD23 . 52652 1 455 . 1 . 1 260 260 LEU CD1 C 13 24.947 0.017 . 1 . . . . A 256 LEU CD1 . 52652 1 456 . 1 . 1 260 260 LEU CD2 C 13 22.101 0.011 . 1 . . . . A 256 LEU CD2 . 52652 1 457 . 1 . 1 274 274 LEU HD11 H 1 0.159 0.003 . 1 . . . . A 270 LEU HD11 . 52652 1 458 . 1 . 1 274 274 LEU HD12 H 1 0.159 0.003 . 1 . . . . A 270 LEU HD12 . 52652 1 459 . 1 . 1 274 274 LEU HD13 H 1 0.159 0.003 . 1 . . . . A 270 LEU HD13 . 52652 1 460 . 1 . 1 274 274 LEU HD21 H 1 -0.184 0.002 . 1 . . . . A 270 LEU HD21 . 52652 1 461 . 1 . 1 274 274 LEU HD22 H 1 -0.184 0.002 . 1 . . . . A 270 LEU HD22 . 52652 1 462 . 1 . 1 274 274 LEU HD23 H 1 -0.184 0.002 . 1 . . . . A 270 LEU HD23 . 52652 1 463 . 1 . 1 274 274 LEU CD1 C 13 23.388 0.009 . 1 . . . . A 270 LEU CD1 . 52652 1 464 . 1 . 1 274 274 LEU CD2 C 13 24.894 0.012 . 1 . . . . A 270 LEU CD2 . 52652 1 465 . 1 . 1 275 275 MET HE1 H 1 2.138 0.003 . 1 . . . . A 271 MET HE1 . 52652 1 466 . 1 . 1 275 275 MET HE2 H 1 2.138 0.003 . 1 . . . . A 271 MET HE2 . 52652 1 467 . 1 . 1 275 275 MET HE3 H 1 2.138 0.003 . 1 . . . . A 271 MET HE3 . 52652 1 468 . 1 . 1 275 275 MET CE C 13 20.097 0.014 . 1 . . . . A 271 MET CE . 52652 1 469 . 1 . 1 280 280 LEU HD11 H 1 0.872 0.003 . 1 . . . . A 276 LEU HD11 . 52652 1 470 . 1 . 1 280 280 LEU HD12 H 1 0.872 0.003 . 1 . . . . A 276 LEU HD12 . 52652 1 471 . 1 . 1 280 280 LEU HD13 H 1 0.872 0.003 . 1 . . . . A 276 LEU HD13 . 52652 1 472 . 1 . 1 280 280 LEU HD21 H 1 0.909 0.002 . 1 . . . . A 276 LEU HD21 . 52652 1 473 . 1 . 1 280 280 LEU HD22 H 1 0.909 0.002 . 1 . . . . A 276 LEU HD22 . 52652 1 474 . 1 . 1 280 280 LEU HD23 H 1 0.909 0.002 . 1 . . . . A 276 LEU HD23 . 52652 1 475 . 1 . 1 280 280 LEU CD1 C 13 23.973 0.022 . 1 . . . . A 276 LEU CD1 . 52652 1 476 . 1 . 1 280 280 LEU CD2 C 13 25.853 0.025 . 1 . . . . A 276 LEU CD2 . 52652 1 477 . 1 . 1 284 284 LEU HD11 H 1 0.871 0.003 . 1 . . . . A 280 LEU HD11 . 52652 1 478 . 1 . 1 284 284 LEU HD12 H 1 0.871 0.003 . 1 . . . . A 280 LEU HD12 . 52652 1 479 . 1 . 1 284 284 LEU HD13 H 1 0.871 0.003 . 1 . . . . A 280 LEU HD13 . 52652 1 480 . 1 . 1 284 284 LEU HD21 H 1 0.704 0.002 . 1 . . . . A 280 LEU HD21 . 52652 1 481 . 1 . 1 284 284 LEU HD22 H 1 0.704 0.002 . 1 . . . . A 280 LEU HD22 . 52652 1 482 . 1 . 1 284 284 LEU HD23 H 1 0.704 0.002 . 1 . . . . A 280 LEU HD23 . 52652 1 483 . 1 . 1 284 284 LEU CD1 C 13 26.149 0.020 . 1 . . . . A 280 LEU CD1 . 52652 1 484 . 1 . 1 284 284 LEU CD2 C 13 23.344 0.013 . 1 . . . . A 280 LEU CD2 . 52652 1 485 . 1 . 1 291 291 LEU HD11 H 1 0.888 0.003 . 1 . . . . A 287 LEU HD11 . 52652 1 486 . 1 . 1 291 291 LEU HD12 H 1 0.888 0.003 . 1 . . . . A 287 LEU HD12 . 52652 1 487 . 1 . 1 291 291 LEU HD13 H 1 0.888 0.003 . 1 . . . . A 287 LEU HD13 . 52652 1 488 . 1 . 1 291 291 LEU HD21 H 1 0.786 0.003 . 1 . . . . A 287 LEU HD21 . 52652 1 489 . 1 . 1 291 291 LEU HD22 H 1 0.786 0.003 . 1 . . . . A 287 LEU HD22 . 52652 1 490 . 1 . 1 291 291 LEU HD23 H 1 0.786 0.003 . 1 . . . . A 287 LEU HD23 . 52652 1 491 . 1 . 1 291 291 LEU CD1 C 13 25.689 0.018 . 1 . . . . A 287 LEU CD1 . 52652 1 492 . 1 . 1 291 291 LEU CD2 C 13 23.716 0.018 . 1 . . . . A 287 LEU CD2 . 52652 1 493 . 1 . 1 295 295 LEU HD11 H 1 0.951 0.003 . 1 . . . . A 291 LEU HD11 . 52652 1 494 . 1 . 1 295 295 LEU HD12 H 1 0.951 0.003 . 1 . . . . A 291 LEU HD12 . 52652 1 495 . 1 . 1 295 295 LEU HD13 H 1 0.951 0.003 . 1 . . . . A 291 LEU HD13 . 52652 1 496 . 1 . 1 295 295 LEU HD21 H 1 0.776 0.006 . 1 . . . . A 291 LEU HD21 . 52652 1 497 . 1 . 1 295 295 LEU HD22 H 1 0.776 0.006 . 1 . . . . A 291 LEU HD22 . 52652 1 498 . 1 . 1 295 295 LEU HD23 H 1 0.776 0.006 . 1 . . . . A 291 LEU HD23 . 52652 1 499 . 1 . 1 295 295 LEU CD1 C 13 26.069 0.018 . 1 . . . . A 291 LEU CD1 . 52652 1 500 . 1 . 1 295 295 LEU CD2 C 13 22.519 0.019 . 1 . . . . A 291 LEU CD2 . 52652 1 501 . 1 . 1 298 298 LEU HD11 H 1 1.060 0.002 . 1 . . . . A 294 LEU HD11 . 52652 1 502 . 1 . 1 298 298 LEU HD12 H 1 1.060 0.002 . 1 . . . . A 294 LEU HD12 . 52652 1 503 . 1 . 1 298 298 LEU HD13 H 1 1.060 0.002 . 1 . . . . A 294 LEU HD13 . 52652 1 504 . 1 . 1 298 298 LEU HD21 H 1 1.031 0.004 . 1 . . . . A 294 LEU HD21 . 52652 1 505 . 1 . 1 298 298 LEU HD22 H 1 1.031 0.004 . 1 . . . . A 294 LEU HD22 . 52652 1 506 . 1 . 1 298 298 LEU HD23 H 1 1.031 0.004 . 1 . . . . A 294 LEU HD23 . 52652 1 507 . 1 . 1 298 298 LEU CD1 C 13 24.146 0.016 . 1 . . . . A 294 LEU CD1 . 52652 1 508 . 1 . 1 298 298 LEU CD2 C 13 26.198 0.021 . 1 . . . . A 294 LEU CD2 . 52652 1 509 . 1 . 1 300 300 LEU HD11 H 1 1.106 0.003 . 1 . . . . A 296 LEU HD11 . 52652 1 510 . 1 . 1 300 300 LEU HD12 H 1 1.106 0.003 . 1 . . . . A 296 LEU HD12 . 52652 1 511 . 1 . 1 300 300 LEU HD13 H 1 1.106 0.003 . 1 . . . . A 296 LEU HD13 . 52652 1 512 . 1 . 1 300 300 LEU HD21 H 1 0.878 0.003 . 1 . . . . A 296 LEU HD21 . 52652 1 513 . 1 . 1 300 300 LEU HD22 H 1 0.878 0.003 . 1 . . . . A 296 LEU HD22 . 52652 1 514 . 1 . 1 300 300 LEU HD23 H 1 0.878 0.003 . 1 . . . . A 296 LEU HD23 . 52652 1 515 . 1 . 1 300 300 LEU CD1 C 13 26.909 0.015 . 1 . . . . A 296 LEU CD1 . 52652 1 516 . 1 . 1 300 300 LEU CD2 C 13 23.635 0.020 . 1 . . . . A 296 LEU CD2 . 52652 1 517 . 1 . 1 317 317 LEU HD11 H 1 0.944 0.005 . 1 . . . . A 313 LEU HD11 . 52652 1 518 . 1 . 1 317 317 LEU HD12 H 1 0.944 0.005 . 1 . . . . A 313 LEU HD12 . 52652 1 519 . 1 . 1 317 317 LEU HD13 H 1 0.944 0.005 . 1 . . . . A 313 LEU HD13 . 52652 1 520 . 1 . 1 317 317 LEU HD21 H 1 0.834 0.003 . 1 . . . . A 313 LEU HD21 . 52652 1 521 . 1 . 1 317 317 LEU HD22 H 1 0.834 0.003 . 1 . . . . A 313 LEU HD22 . 52652 1 522 . 1 . 1 317 317 LEU HD23 H 1 0.834 0.003 . 1 . . . . A 313 LEU HD23 . 52652 1 523 . 1 . 1 317 317 LEU CD1 C 13 25.175 0.021 . 1 . . . . A 313 LEU CD1 . 52652 1 524 . 1 . 1 317 317 LEU CD2 C 13 25.675 0.027 . 1 . . . . A 313 LEU CD2 . 52652 1 525 . 1 . 1 332 332 LEU HD11 H 1 0.826 0.002 . 1 . . . . A 328 LEU HD11 . 52652 1 526 . 1 . 1 332 332 LEU HD12 H 1 0.826 0.002 . 1 . . . . A 328 LEU HD12 . 52652 1 527 . 1 . 1 332 332 LEU HD13 H 1 0.826 0.002 . 1 . . . . A 328 LEU HD13 . 52652 1 528 . 1 . 1 332 332 LEU HD21 H 1 0.614 0.003 . 1 . . . . A 328 LEU HD21 . 52652 1 529 . 1 . 1 332 332 LEU HD22 H 1 0.614 0.003 . 1 . . . . A 328 LEU HD22 . 52652 1 530 . 1 . 1 332 332 LEU HD23 H 1 0.614 0.003 . 1 . . . . A 328 LEU HD23 . 52652 1 531 . 1 . 1 332 332 LEU CD1 C 13 22.929 0.024 . 1 . . . . A 328 LEU CD1 . 52652 1 532 . 1 . 1 332 332 LEU CD2 C 13 26.200 0.020 . 1 . . . . A 328 LEU CD2 . 52652 1 533 . 1 . 1 338 338 VAL HG11 H 1 0.835 0.003 . 1 . . . . A 334 VAL HG11 . 52652 1 534 . 1 . 1 338 338 VAL HG12 H 1 0.835 0.003 . 1 . . . . A 334 VAL HG12 . 52652 1 535 . 1 . 1 338 338 VAL HG13 H 1 0.835 0.003 . 1 . . . . A 334 VAL HG13 . 52652 1 536 . 1 . 1 338 338 VAL HG21 H 1 0.814 0.002 . 1 . . . . A 334 VAL HG21 . 52652 1 537 . 1 . 1 338 338 VAL HG22 H 1 0.814 0.002 . 1 . . . . A 334 VAL HG22 . 52652 1 538 . 1 . 1 338 338 VAL HG23 H 1 0.814 0.002 . 1 . . . . A 334 VAL HG23 . 52652 1 539 . 1 . 1 338 338 VAL CG1 C 13 22.100 0.011 . 1 . . . . A 334 VAL CG1 . 52652 1 540 . 1 . 1 338 338 VAL CG2 C 13 18.999 0.014 . 1 . . . . A 334 VAL CG2 . 52652 1 541 . 1 . 1 340 340 LEU HD11 H 1 0.978 0.003 . 1 . . . . A 336 LEU HD11 . 52652 1 542 . 1 . 1 340 340 LEU HD12 H 1 0.978 0.003 . 1 . . . . A 336 LEU HD12 . 52652 1 543 . 1 . 1 340 340 LEU HD13 H 1 0.978 0.003 . 1 . . . . A 336 LEU HD13 . 52652 1 544 . 1 . 1 340 340 LEU HD21 H 1 0.966 0.002 . 1 . . . . A 336 LEU HD21 . 52652 1 545 . 1 . 1 340 340 LEU HD22 H 1 0.966 0.002 . 1 . . . . A 336 LEU HD22 . 52652 1 546 . 1 . 1 340 340 LEU HD23 H 1 0.966 0.002 . 1 . . . . A 336 LEU HD23 . 52652 1 547 . 1 . 1 340 340 LEU CD1 C 13 22.574 0.013 . 1 . . . . A 336 LEU CD1 . 52652 1 548 . 1 . 1 340 340 LEU CD2 C 13 25.563 0.026 . 1 . . . . A 336 LEU CD2 . 52652 1 549 . 1 . 1 342 342 MET HE1 H 1 2.385 0.002 . 1 . . . . A 338 MET HE1 . 52652 1 550 . 1 . 1 342 342 MET HE2 H 1 2.385 0.002 . 1 . . . . A 338 MET HE2 . 52652 1 551 . 1 . 1 342 342 MET HE3 H 1 2.385 0.002 . 1 . . . . A 338 MET HE3 . 52652 1 552 . 1 . 1 342 342 MET CE C 13 18.428 0.009 . 1 . . . . A 338 MET CE . 52652 1 553 . 1 . 1 344 344 LEU HD11 H 1 0.362 0.004 . 1 . . . . A 340 LEU HD11 . 52652 1 554 . 1 . 1 344 344 LEU HD12 H 1 0.362 0.004 . 1 . . . . A 340 LEU HD12 . 52652 1 555 . 1 . 1 344 344 LEU HD13 H 1 0.362 0.004 . 1 . . . . A 340 LEU HD13 . 52652 1 556 . 1 . 1 344 344 LEU HD21 H 1 -0.308 0.004 . 1 . . . . A 340 LEU HD21 . 52652 1 557 . 1 . 1 344 344 LEU HD22 H 1 -0.308 0.004 . 1 . . . . A 340 LEU HD22 . 52652 1 558 . 1 . 1 344 344 LEU HD23 H 1 -0.308 0.004 . 1 . . . . A 340 LEU HD23 . 52652 1 559 . 1 . 1 344 344 LEU CD1 C 13 26.546 0.032 . 1 . . . . A 340 LEU CD1 . 52652 1 560 . 1 . 1 344 344 LEU CD2 C 13 21.324 0.021 . 1 . . . . A 340 LEU CD2 . 52652 1 561 . 1 . 1 345 345 VAL HG11 H 1 0.612 0.002 . 1 . . . . A 341 VAL HG11 . 52652 1 562 . 1 . 1 345 345 VAL HG12 H 1 0.612 0.002 . 1 . . . . A 341 VAL HG12 . 52652 1 563 . 1 . 1 345 345 VAL HG13 H 1 0.612 0.002 . 1 . . . . A 341 VAL HG13 . 52652 1 564 . 1 . 1 345 345 VAL HG21 H 1 0.273 0.004 . 1 . . . . A 341 VAL HG21 . 52652 1 565 . 1 . 1 345 345 VAL HG22 H 1 0.273 0.004 . 1 . . . . A 341 VAL HG22 . 52652 1 566 . 1 . 1 345 345 VAL HG23 H 1 0.273 0.004 . 1 . . . . A 341 VAL HG23 . 52652 1 567 . 1 . 1 345 345 VAL CG1 C 13 20.310 0.016 . 1 . . . . A 341 VAL CG1 . 52652 1 568 . 1 . 1 345 345 VAL CG2 C 13 23.476 0.022 . 1 . . . . A 341 VAL CG2 . 52652 1 569 . 1 . 1 350 350 VAL HG11 H 1 1.101 0.003 . 1 . . . . A 346 VAL HG11 . 52652 1 570 . 1 . 1 350 350 VAL HG12 H 1 1.101 0.003 . 1 . . . . A 346 VAL HG12 . 52652 1 571 . 1 . 1 350 350 VAL HG13 H 1 1.101 0.003 . 1 . . . . A 346 VAL HG13 . 52652 1 572 . 1 . 1 350 350 VAL HG21 H 1 1.418 0.002 . 1 . . . . A 346 VAL HG21 . 52652 1 573 . 1 . 1 350 350 VAL HG22 H 1 1.418 0.002 . 1 . . . . A 346 VAL HG22 . 52652 1 574 . 1 . 1 350 350 VAL HG23 H 1 1.418 0.002 . 1 . . . . A 346 VAL HG23 . 52652 1 575 . 1 . 1 350 350 VAL CG1 C 13 22.622 0.016 . 1 . . . . A 346 VAL CG1 . 52652 1 576 . 1 . 1 350 350 VAL CG2 C 13 25.226 0.012 . 1 . . . . A 346 VAL CG2 . 52652 1 577 . 1 . 1 352 352 LEU HD11 H 1 0.258 0.004 . 1 . . . . A 348 LEU HD11 . 52652 1 578 . 1 . 1 352 352 LEU HD12 H 1 0.258 0.004 . 1 . . . . A 348 LEU HD12 . 52652 1 579 . 1 . 1 352 352 LEU HD13 H 1 0.258 0.004 . 1 . . . . A 348 LEU HD13 . 52652 1 580 . 1 . 1 352 352 LEU HD21 H 1 0.767 0.004 . 1 . . . . A 348 LEU HD21 . 52652 1 581 . 1 . 1 352 352 LEU HD22 H 1 0.767 0.004 . 1 . . . . A 348 LEU HD22 . 52652 1 582 . 1 . 1 352 352 LEU HD23 H 1 0.767 0.004 . 1 . . . . A 348 LEU HD23 . 52652 1 583 . 1 . 1 352 352 LEU CD1 C 13 25.943 0.022 . 1 . . . . A 348 LEU CD1 . 52652 1 584 . 1 . 1 352 352 LEU CD2 C 13 21.500 0.020 . 1 . . . . A 348 LEU CD2 . 52652 1 585 . 1 . 1 361 361 VAL HG11 H 1 0.677 0.003 . 1 . . . . A 357 VAL HG11 . 52652 1 586 . 1 . 1 361 361 VAL HG12 H 1 0.677 0.003 . 1 . . . . A 357 VAL HG12 . 52652 1 587 . 1 . 1 361 361 VAL HG13 H 1 0.677 0.003 . 1 . . . . A 357 VAL HG13 . 52652 1 588 . 1 . 1 361 361 VAL HG21 H 1 0.752 0.002 . 1 . . . . A 357 VAL HG21 . 52652 1 589 . 1 . 1 361 361 VAL HG22 H 1 0.752 0.002 . 1 . . . . A 357 VAL HG22 . 52652 1 590 . 1 . 1 361 361 VAL HG23 H 1 0.752 0.002 . 1 . . . . A 357 VAL HG23 . 52652 1 591 . 1 . 1 361 361 VAL CG1 C 13 21.094 0.014 . 1 . . . . A 357 VAL CG1 . 52652 1 592 . 1 . 1 361 361 VAL CG2 C 13 18.901 0.013 . 1 . . . . A 357 VAL CG2 . 52652 1 593 . 1 . 1 362 362 LEU HD11 H 1 0.984 0.004 . 1 . . . . A 358 LEU HD11 . 52652 1 594 . 1 . 1 362 362 LEU HD12 H 1 0.984 0.004 . 1 . . . . A 358 LEU HD12 . 52652 1 595 . 1 . 1 362 362 LEU HD13 H 1 0.984 0.004 . 1 . . . . A 358 LEU HD13 . 52652 1 596 . 1 . 1 362 362 LEU HD21 H 1 0.842 0.005 . 1 . . . . A 358 LEU HD21 . 52652 1 597 . 1 . 1 362 362 LEU HD22 H 1 0.842 0.005 . 1 . . . . A 358 LEU HD22 . 52652 1 598 . 1 . 1 362 362 LEU HD23 H 1 0.842 0.005 . 1 . . . . A 358 LEU HD23 . 52652 1 599 . 1 . 1 362 362 LEU CD1 C 13 25.405 0.017 . 1 . . . . A 358 LEU CD1 . 52652 1 600 . 1 . 1 362 362 LEU CD2 C 13 24.882 0.029 . 1 . . . . A 358 LEU CD2 . 52652 1 601 . 1 . 1 363 363 ILE HD11 H 1 0.728 0.002 . 1 . . . . A 359 ILE HD11 . 52652 1 602 . 1 . 1 363 363 ILE HD12 H 1 0.728 0.002 . 1 . . . . A 359 ILE HD12 . 52652 1 603 . 1 . 1 363 363 ILE HD13 H 1 0.728 0.002 . 1 . . . . A 359 ILE HD13 . 52652 1 604 . 1 . 1 363 363 ILE CD1 C 13 14.974 0.016 . 1 . . . . A 359 ILE CD1 . 52652 1 605 . 1 . 1 367 367 VAL HG11 H 1 1.050 0.005 . 1 . . . . A 363 VAL HG11 . 52652 1 606 . 1 . 1 367 367 VAL HG12 H 1 1.050 0.005 . 1 . . . . A 363 VAL HG12 . 52652 1 607 . 1 . 1 367 367 VAL HG13 H 1 1.050 0.005 . 1 . . . . A 363 VAL HG13 . 52652 1 608 . 1 . 1 367 367 VAL HG21 H 1 1.008 0.004 . 1 . . . . A 363 VAL HG21 . 52652 1 609 . 1 . 1 367 367 VAL HG22 H 1 1.008 0.004 . 1 . . . . A 363 VAL HG22 . 52652 1 610 . 1 . 1 367 367 VAL HG23 H 1 1.008 0.004 . 1 . . . . A 363 VAL HG23 . 52652 1 611 . 1 . 1 367 367 VAL CG1 C 13 21.526 0.025 . 1 . . . . A 363 VAL CG1 . 52652 1 612 . 1 . 1 367 367 VAL CG2 C 13 20.417 0.027 . 1 . . . . A 363 VAL CG2 . 52652 1 613 . 1 . 1 369 369 LEU HD11 H 1 1.053 0.005 . 1 . . . . A 365 LEU HD11 . 52652 1 614 . 1 . 1 369 369 LEU HD12 H 1 1.053 0.005 . 1 . . . . A 365 LEU HD12 . 52652 1 615 . 1 . 1 369 369 LEU HD13 H 1 1.053 0.005 . 1 . . . . A 365 LEU HD13 . 52652 1 616 . 1 . 1 369 369 LEU HD21 H 1 -0.222 0.003 . 1 . . . . A 365 LEU HD21 . 52652 1 617 . 1 . 1 369 369 LEU HD22 H 1 -0.222 0.003 . 1 . . . . A 365 LEU HD22 . 52652 1 618 . 1 . 1 369 369 LEU HD23 H 1 -0.222 0.003 . 1 . . . . A 365 LEU HD23 . 52652 1 619 . 1 . 1 369 369 LEU CD1 C 13 26.184 0.011 . 1 . . . . A 365 LEU CD1 . 52652 1 620 . 1 . 1 369 369 LEU CD2 C 13 18.574 0.016 . 1 . . . . A 365 LEU CD2 . 52652 1 621 . 1 . 1 378 378 LEU HD11 H 1 0.897 0.003 . 1 . . . . A 374 LEU HD11 . 52652 1 622 . 1 . 1 378 378 LEU HD12 H 1 0.897 0.003 . 1 . . . . A 374 LEU HD12 . 52652 1 623 . 1 . 1 378 378 LEU HD13 H 1 0.897 0.003 . 1 . . . . A 374 LEU HD13 . 52652 1 624 . 1 . 1 378 378 LEU HD21 H 1 1.185 0.005 . 1 . . . . A 374 LEU HD21 . 52652 1 625 . 1 . 1 378 378 LEU HD22 H 1 1.185 0.005 . 1 . . . . A 374 LEU HD22 . 52652 1 626 . 1 . 1 378 378 LEU HD23 H 1 1.185 0.005 . 1 . . . . A 374 LEU HD23 . 52652 1 627 . 1 . 1 378 378 LEU CD1 C 13 25.167 0.018 . 1 . . . . A 374 LEU CD1 . 52652 1 628 . 1 . 1 378 378 LEU CD2 C 13 22.370 0.015 . 1 . . . . A 374 LEU CD2 . 52652 1 629 . 1 . 1 379 379 ILE HD11 H 1 1.121 0.005 . 1 . . . . A 375 ILE HD11 . 52652 1 630 . 1 . 1 379 379 ILE HD12 H 1 1.121 0.005 . 1 . . . . A 375 ILE HD12 . 52652 1 631 . 1 . 1 379 379 ILE HD13 H 1 1.121 0.005 . 1 . . . . A 375 ILE HD13 . 52652 1 632 . 1 . 1 379 379 ILE CD1 C 13 16.409 0.034 . 1 . . . . A 375 ILE CD1 . 52652 1 633 . 1 . 1 383 383 VAL HG11 H 1 0.829 0.004 . 1 . . . . A 379 VAL HG11 . 52652 1 634 . 1 . 1 383 383 VAL HG12 H 1 0.829 0.004 . 1 . . . . A 379 VAL HG12 . 52652 1 635 . 1 . 1 383 383 VAL HG13 H 1 0.829 0.004 . 1 . . . . A 379 VAL HG13 . 52652 1 636 . 1 . 1 383 383 VAL HG21 H 1 0.718 0.005 . 1 . . . . A 379 VAL HG21 . 52652 1 637 . 1 . 1 383 383 VAL HG22 H 1 0.718 0.005 . 1 . . . . A 379 VAL HG22 . 52652 1 638 . 1 . 1 383 383 VAL HG23 H 1 0.718 0.005 . 1 . . . . A 379 VAL HG23 . 52652 1 639 . 1 . 1 383 383 VAL CG1 C 13 21.718 0.014 . 1 . . . . A 379 VAL CG1 . 52652 1 640 . 1 . 1 383 383 VAL CG2 C 13 20.147 0.043 . 1 . . . . A 379 VAL CG2 . 52652 1 641 . 1 . 1 385 385 LEU HD11 H 1 0.427 0.003 . 1 . . . . A 381 LEU HD11 . 52652 1 642 . 1 . 1 385 385 LEU HD12 H 1 0.427 0.003 . 1 . . . . A 381 LEU HD12 . 52652 1 643 . 1 . 1 385 385 LEU HD13 H 1 0.427 0.003 . 1 . . . . A 381 LEU HD13 . 52652 1 644 . 1 . 1 385 385 LEU HD21 H 1 0.126 0.006 . 1 . . . . A 381 LEU HD21 . 52652 1 645 . 1 . 1 385 385 LEU HD22 H 1 0.126 0.006 . 1 . . . . A 381 LEU HD22 . 52652 1 646 . 1 . 1 385 385 LEU HD23 H 1 0.126 0.006 . 1 . . . . A 381 LEU HD23 . 52652 1 647 . 1 . 1 385 385 LEU CD1 C 13 24.149 0.010 . 1 . . . . A 381 LEU CD1 . 52652 1 648 . 1 . 1 385 385 LEU CD2 C 13 24.068 0.026 . 1 . . . . A 381 LEU CD2 . 52652 1 649 . 1 . 1 386 386 VAL HG11 H 1 0.878 0.005 . 1 . . . . A 382 VAL HG11 . 52652 1 650 . 1 . 1 386 386 VAL HG12 H 1 0.878 0.005 . 1 . . . . A 382 VAL HG12 . 52652 1 651 . 1 . 1 386 386 VAL HG13 H 1 0.878 0.005 . 1 . . . . A 382 VAL HG13 . 52652 1 652 . 1 . 1 386 386 VAL HG21 H 1 0.914 0.004 . 1 . . . . A 382 VAL HG21 . 52652 1 653 . 1 . 1 386 386 VAL HG22 H 1 0.914 0.004 . 1 . . . . A 382 VAL HG22 . 52652 1 654 . 1 . 1 386 386 VAL HG23 H 1 0.914 0.004 . 1 . . . . A 382 VAL HG23 . 52652 1 655 . 1 . 1 386 386 VAL CG1 C 13 22.377 0.033 . 1 . . . . A 382 VAL CG1 . 52652 1 656 . 1 . 1 386 386 VAL CG2 C 13 21.160 0.015 . 1 . . . . A 382 VAL CG2 . 52652 1 657 . 1 . 1 387 387 VAL HG11 H 1 0.795 0.004 . 1 . . . . A 383 VAL HG11 . 52652 1 658 . 1 . 1 387 387 VAL HG12 H 1 0.795 0.004 . 1 . . . . A 383 VAL HG12 . 52652 1 659 . 1 . 1 387 387 VAL HG13 H 1 0.795 0.004 . 1 . . . . A 383 VAL HG13 . 52652 1 660 . 1 . 1 387 387 VAL HG21 H 1 0.955 0.003 . 1 . . . . A 383 VAL HG21 . 52652 1 661 . 1 . 1 387 387 VAL HG22 H 1 0.955 0.003 . 1 . . . . A 383 VAL HG22 . 52652 1 662 . 1 . 1 387 387 VAL HG23 H 1 0.955 0.003 . 1 . . . . A 383 VAL HG23 . 52652 1 663 . 1 . 1 387 387 VAL CG1 C 13 22.266 0.018 . 1 . . . . A 383 VAL CG1 . 52652 1 664 . 1 . 1 387 387 VAL CG2 C 13 21.968 0.013 . 1 . . . . A 383 VAL CG2 . 52652 1 665 . 1 . 1 388 388 LEU HD11 H 1 0.945 0.006 . 1 . . . . A 384 LEU HD11 . 52652 1 666 . 1 . 1 388 388 LEU HD12 H 1 0.945 0.006 . 1 . . . . A 384 LEU HD12 . 52652 1 667 . 1 . 1 388 388 LEU HD13 H 1 0.945 0.006 . 1 . . . . A 384 LEU HD13 . 52652 1 668 . 1 . 1 388 388 LEU HD21 H 1 0.973 0.003 . 1 . . . . A 384 LEU HD21 . 52652 1 669 . 1 . 1 388 388 LEU HD22 H 1 0.973 0.003 . 1 . . . . A 384 LEU HD22 . 52652 1 670 . 1 . 1 388 388 LEU HD23 H 1 0.973 0.003 . 1 . . . . A 384 LEU HD23 . 52652 1 671 . 1 . 1 388 388 LEU CD1 C 13 26.703 0.017 . 1 . . . . A 384 LEU CD1 . 52652 1 672 . 1 . 1 388 388 LEU CD2 C 13 24.566 0.020 . 1 . . . . A 384 LEU CD2 . 52652 1 673 . 1 . 1 392 392 ILE HD11 H 1 0.642 0.001 . 1 . . . . A 388 ILE HD11 . 52652 1 674 . 1 . 1 392 392 ILE HD12 H 1 0.642 0.001 . 1 . . . . A 388 ILE HD12 . 52652 1 675 . 1 . 1 392 392 ILE HD13 H 1 0.642 0.001 . 1 . . . . A 388 ILE HD13 . 52652 1 676 . 1 . 1 392 392 ILE CD1 C 13 9.848 0.010 . 1 . . . . A 388 ILE CD1 . 52652 1 677 . 1 . 1 396 396 MET HE1 H 1 2.125 0.002 . 1 . . . . A 392 MET HE1 . 52652 1 678 . 1 . 1 396 396 MET HE2 H 1 2.125 0.002 . 1 . . . . A 392 MET HE2 . 52652 1 679 . 1 . 1 396 396 MET HE3 H 1 2.125 0.002 . 1 . . . . A 392 MET HE3 . 52652 1 680 . 1 . 1 396 396 MET CE C 13 17.006 0.009 . 1 . . . . A 392 MET CE . 52652 1 681 . 1 . 1 398 398 VAL HG11 H 1 0.078 0.003 . 1 . . . . A 394 VAL HG11 . 52652 1 682 . 1 . 1 398 398 VAL HG12 H 1 0.078 0.003 . 1 . . . . A 394 VAL HG12 . 52652 1 683 . 1 . 1 398 398 VAL HG13 H 1 0.078 0.003 . 1 . . . . A 394 VAL HG13 . 52652 1 684 . 1 . 1 398 398 VAL HG21 H 1 0.592 0.004 . 1 . . . . A 394 VAL HG21 . 52652 1 685 . 1 . 1 398 398 VAL HG22 H 1 0.592 0.004 . 1 . . . . A 394 VAL HG22 . 52652 1 686 . 1 . 1 398 398 VAL HG23 H 1 0.592 0.004 . 1 . . . . A 394 VAL HG23 . 52652 1 687 . 1 . 1 398 398 VAL CG1 C 13 19.245 0.015 . 1 . . . . A 394 VAL CG1 . 52652 1 688 . 1 . 1 398 398 VAL CG2 C 13 22.789 0.019 . 1 . . . . A 394 VAL CG2 . 52652 1 689 . 1 . 1 401 401 VAL HG11 H 1 1.132 0.004 . 1 . . . . A 397 VAL HG11 . 52652 1 690 . 1 . 1 401 401 VAL HG12 H 1 1.132 0.004 . 1 . . . . A 397 VAL HG12 . 52652 1 691 . 1 . 1 401 401 VAL HG13 H 1 1.132 0.004 . 1 . . . . A 397 VAL HG13 . 52652 1 692 . 1 . 1 401 401 VAL HG21 H 1 1.170 0.004 . 1 . . . . A 397 VAL HG21 . 52652 1 693 . 1 . 1 401 401 VAL HG22 H 1 1.170 0.004 . 1 . . . . A 397 VAL HG22 . 52652 1 694 . 1 . 1 401 401 VAL HG23 H 1 1.170 0.004 . 1 . . . . A 397 VAL HG23 . 52652 1 695 . 1 . 1 401 401 VAL CG1 C 13 22.773 0.015 . 1 . . . . A 397 VAL CG1 . 52652 1 696 . 1 . 1 401 401 VAL CG2 C 13 22.854 0.017 . 1 . . . . A 397 VAL CG2 . 52652 1 697 . 1 . 1 402 402 LEU HD11 H 1 0.649 0.004 . 1 . . . . A 398 LEU HD11 . 52652 1 698 . 1 . 1 402 402 LEU HD12 H 1 0.649 0.004 . 1 . . . . A 398 LEU HD12 . 52652 1 699 . 1 . 1 402 402 LEU HD13 H 1 0.649 0.004 . 1 . . . . A 398 LEU HD13 . 52652 1 700 . 1 . 1 402 402 LEU HD21 H 1 0.761 0.003 . 1 . . . . A 398 LEU HD21 . 52652 1 701 . 1 . 1 402 402 LEU HD22 H 1 0.761 0.003 . 1 . . . . A 398 LEU HD22 . 52652 1 702 . 1 . 1 402 402 LEU HD23 H 1 0.761 0.003 . 1 . . . . A 398 LEU HD23 . 52652 1 703 . 1 . 1 402 402 LEU CD1 C 13 25.739 0.026 . 1 . . . . A 398 LEU CD1 . 52652 1 704 . 1 . 1 402 402 LEU CD2 C 13 23.036 0.028 . 1 . . . . A 398 LEU CD2 . 52652 1 705 . 1 . 1 409 409 VAL HG11 H 1 1.150 0.004 . 1 . . . . A 405 VAL HG11 . 52652 1 706 . 1 . 1 409 409 VAL HG12 H 1 1.150 0.004 . 1 . . . . A 405 VAL HG12 . 52652 1 707 . 1 . 1 409 409 VAL HG13 H 1 1.150 0.004 . 1 . . . . A 405 VAL HG13 . 52652 1 708 . 1 . 1 409 409 VAL HG21 H 1 1.127 0.004 . 1 . . . . A 405 VAL HG21 . 52652 1 709 . 1 . 1 409 409 VAL HG22 H 1 1.127 0.004 . 1 . . . . A 405 VAL HG22 . 52652 1 710 . 1 . 1 409 409 VAL HG23 H 1 1.127 0.004 . 1 . . . . A 405 VAL HG23 . 52652 1 711 . 1 . 1 409 409 VAL CG1 C 13 22.121 0.022 . 1 . . . . A 405 VAL CG1 . 52652 1 712 . 1 . 1 409 409 VAL CG2 C 13 23.890 0.013 . 1 . . . . A 405 VAL CG2 . 52652 1 713 . 1 . 1 413 413 LEU HD11 H 1 0.908 0.004 . 1 . . . . A 409 LEU HD11 . 52652 1 714 . 1 . 1 413 413 LEU HD12 H 1 0.908 0.004 . 1 . . . . A 409 LEU HD12 . 52652 1 715 . 1 . 1 413 413 LEU HD13 H 1 0.908 0.004 . 1 . . . . A 409 LEU HD13 . 52652 1 716 . 1 . 1 413 413 LEU HD21 H 1 0.875 0.005 . 1 . . . . A 409 LEU HD21 . 52652 1 717 . 1 . 1 413 413 LEU HD22 H 1 0.875 0.005 . 1 . . . . A 409 LEU HD22 . 52652 1 718 . 1 . 1 413 413 LEU HD23 H 1 0.875 0.005 . 1 . . . . A 409 LEU HD23 . 52652 1 719 . 1 . 1 413 413 LEU CD1 C 13 25.205 0.018 . 1 . . . . A 409 LEU CD1 . 52652 1 720 . 1 . 1 413 413 LEU CD2 C 13 22.497 0.040 . 1 . . . . A 409 LEU CD2 . 52652 1 721 . 1 . 1 423 423 VAL HG11 H 1 0.553 0.002 . 1 . . . . A 419 VAL HG11 . 52652 1 722 . 1 . 1 423 423 VAL HG12 H 1 0.553 0.002 . 1 . . . . A 419 VAL HG12 . 52652 1 723 . 1 . 1 423 423 VAL HG13 H 1 0.553 0.002 . 1 . . . . A 419 VAL HG13 . 52652 1 724 . 1 . 1 423 423 VAL HG21 H 1 0.672 0.004 . 1 . . . . A 419 VAL HG21 . 52652 1 725 . 1 . 1 423 423 VAL HG22 H 1 0.672 0.004 . 1 . . . . A 419 VAL HG22 . 52652 1 726 . 1 . 1 423 423 VAL HG23 H 1 0.672 0.004 . 1 . . . . A 419 VAL HG23 . 52652 1 727 . 1 . 1 423 423 VAL CG1 C 13 20.546 0.016 . 1 . . . . A 419 VAL CG1 . 52652 1 728 . 1 . 1 423 423 VAL CG2 C 13 22.319 0.022 . 1 . . . . A 419 VAL CG2 . 52652 1 729 . 1 . 1 424 424 VAL HG11 H 1 0.748 0.002 . 1 . . . . A 420 VAL HG11 . 52652 1 730 . 1 . 1 424 424 VAL HG12 H 1 0.748 0.002 . 1 . . . . A 420 VAL HG12 . 52652 1 731 . 1 . 1 424 424 VAL HG13 H 1 0.748 0.002 . 1 . . . . A 420 VAL HG13 . 52652 1 732 . 1 . 1 424 424 VAL HG21 H 1 0.307 0.003 . 1 . . . . A 420 VAL HG21 . 52652 1 733 . 1 . 1 424 424 VAL HG22 H 1 0.307 0.003 . 1 . . . . A 420 VAL HG22 . 52652 1 734 . 1 . 1 424 424 VAL HG23 H 1 0.307 0.003 . 1 . . . . A 420 VAL HG23 . 52652 1 735 . 1 . 1 424 424 VAL CG1 C 13 21.352 0.012 . 1 . . . . A 420 VAL CG1 . 52652 1 736 . 1 . 1 424 424 VAL CG2 C 13 23.537 0.011 . 1 . . . . A 420 VAL CG2 . 52652 1 737 . 1 . 1 427 427 LEU HD11 H 1 0.831 0.003 . 1 . . . . A 423 LEU HD11 . 52652 1 738 . 1 . 1 427 427 LEU HD12 H 1 0.831 0.003 . 1 . . . . A 423 LEU HD12 . 52652 1 739 . 1 . 1 427 427 LEU HD13 H 1 0.831 0.003 . 1 . . . . A 423 LEU HD13 . 52652 1 740 . 1 . 1 427 427 LEU HD21 H 1 0.845 0.004 . 1 . . . . A 423 LEU HD21 . 52652 1 741 . 1 . 1 427 427 LEU HD22 H 1 0.845 0.004 . 1 . . . . A 423 LEU HD22 . 52652 1 742 . 1 . 1 427 427 LEU HD23 H 1 0.845 0.004 . 1 . . . . A 423 LEU HD23 . 52652 1 743 . 1 . 1 427 427 LEU CD1 C 13 26.553 0.015 . 1 . . . . A 423 LEU CD1 . 52652 1 744 . 1 . 1 427 427 LEU CD2 C 13 22.588 0.025 . 1 . . . . A 423 LEU CD2 . 52652 1 745 . 1 . 1 438 438 LEU HD11 H 1 0.837 0.003 . 1 . . . . A 434 LEU HD11 . 52652 1 746 . 1 . 1 438 438 LEU HD12 H 1 0.837 0.003 . 1 . . . . A 434 LEU HD12 . 52652 1 747 . 1 . 1 438 438 LEU HD13 H 1 0.837 0.003 . 1 . . . . A 434 LEU HD13 . 52652 1 748 . 1 . 1 438 438 LEU HD21 H 1 0.764 0.003 . 1 . . . . A 434 LEU HD21 . 52652 1 749 . 1 . 1 438 438 LEU HD22 H 1 0.764 0.003 . 1 . . . . A 434 LEU HD22 . 52652 1 750 . 1 . 1 438 438 LEU HD23 H 1 0.764 0.003 . 1 . . . . A 434 LEU HD23 . 52652 1 751 . 1 . 1 438 438 LEU CD1 C 13 25.053 0.038 . 1 . . . . A 434 LEU CD1 . 52652 1 752 . 1 . 1 438 438 LEU CD2 C 13 26.706 0.021 . 1 . . . . A 434 LEU CD2 . 52652 1 753 . 1 . 1 439 439 VAL HG11 H 1 0.869 0.002 . 1 . . . . A 435 VAL HG11 . 52652 1 754 . 1 . 1 439 439 VAL HG12 H 1 0.869 0.002 . 1 . . . . A 435 VAL HG12 . 52652 1 755 . 1 . 1 439 439 VAL HG13 H 1 0.869 0.002 . 1 . . . . A 435 VAL HG13 . 52652 1 756 . 1 . 1 439 439 VAL HG21 H 1 0.871 0.005 . 1 . . . . A 435 VAL HG21 . 52652 1 757 . 1 . 1 439 439 VAL HG22 H 1 0.871 0.005 . 1 . . . . A 435 VAL HG22 . 52652 1 758 . 1 . 1 439 439 VAL HG23 H 1 0.871 0.005 . 1 . . . . A 435 VAL HG23 . 52652 1 759 . 1 . 1 439 439 VAL CG1 C 13 23.946 0.021 . 1 . . . . A 435 VAL CG1 . 52652 1 760 . 1 . 1 439 439 VAL CG2 C 13 19.690 0.037 . 1 . . . . A 435 VAL CG2 . 52652 1 761 . 1 . 1 442 442 MET HE1 H 1 1.626 0.003 . 1 . . . . A 438 MET HE1 . 52652 1 762 . 1 . 1 442 442 MET HE2 H 1 1.626 0.003 . 1 . . . . A 438 MET HE2 . 52652 1 763 . 1 . 1 442 442 MET HE3 H 1 1.626 0.003 . 1 . . . . A 438 MET HE3 . 52652 1 764 . 1 . 1 442 442 MET CE C 13 17.518 0.012 . 1 . . . . A 438 MET CE . 52652 1 765 . 1 . 1 443 443 LEU HD11 H 1 0.679 0.002 . 1 . . . . A 439 LEU HD11 . 52652 1 766 . 1 . 1 443 443 LEU HD12 H 1 0.679 0.002 . 1 . . . . A 439 LEU HD12 . 52652 1 767 . 1 . 1 443 443 LEU HD13 H 1 0.679 0.002 . 1 . . . . A 439 LEU HD13 . 52652 1 768 . 1 . 1 443 443 LEU HD21 H 1 0.644 0.004 . 1 . . . . A 439 LEU HD21 . 52652 1 769 . 1 . 1 443 443 LEU HD22 H 1 0.644 0.004 . 1 . . . . A 439 LEU HD22 . 52652 1 770 . 1 . 1 443 443 LEU HD23 H 1 0.644 0.004 . 1 . . . . A 439 LEU HD23 . 52652 1 771 . 1 . 1 443 443 LEU CD1 C 13 25.270 0.025 . 1 . . . . A 439 LEU CD1 . 52652 1 772 . 1 . 1 443 443 LEU CD2 C 13 25.771 0.033 . 1 . . . . A 439 LEU CD2 . 52652 1 773 . 1 . 1 444 444 VAL HG11 H 1 0.443 0.002 . 1 . . . . A 440 VAL HG11 . 52652 1 774 . 1 . 1 444 444 VAL HG12 H 1 0.443 0.002 . 1 . . . . A 440 VAL HG12 . 52652 1 775 . 1 . 1 444 444 VAL HG13 H 1 0.443 0.002 . 1 . . . . A 440 VAL HG13 . 52652 1 776 . 1 . 1 444 444 VAL HG21 H 1 0.231 0.007 . 1 . . . . A 440 VAL HG21 . 52652 1 777 . 1 . 1 444 444 VAL HG22 H 1 0.231 0.007 . 1 . . . . A 440 VAL HG22 . 52652 1 778 . 1 . 1 444 444 VAL HG23 H 1 0.231 0.007 . 1 . . . . A 440 VAL HG23 . 52652 1 779 . 1 . 1 444 444 VAL CG1 C 13 20.286 0.013 . 1 . . . . A 440 VAL CG1 . 52652 1 780 . 1 . 1 444 444 VAL CG2 C 13 19.915 0.023 . 1 . . . . A 440 VAL CG2 . 52652 1 781 . 1 . 1 445 445 LEU HD11 H 1 0.766 0.004 . 1 . . . . A 441 LEU HD11 . 52652 1 782 . 1 . 1 445 445 LEU HD12 H 1 0.766 0.004 . 1 . . . . A 441 LEU HD12 . 52652 1 783 . 1 . 1 445 445 LEU HD13 H 1 0.766 0.004 . 1 . . . . A 441 LEU HD13 . 52652 1 784 . 1 . 1 445 445 LEU HD21 H 1 0.939 0.006 . 1 . . . . A 441 LEU HD21 . 52652 1 785 . 1 . 1 445 445 LEU HD22 H 1 0.939 0.006 . 1 . . . . A 441 LEU HD22 . 52652 1 786 . 1 . 1 445 445 LEU HD23 H 1 0.939 0.006 . 1 . . . . A 441 LEU HD23 . 52652 1 787 . 1 . 1 445 445 LEU CD1 C 13 22.533 0.017 . 1 . . . . A 441 LEU CD1 . 52652 1 788 . 1 . 1 445 445 LEU CD2 C 13 26.699 0.020 . 1 . . . . A 441 LEU CD2 . 52652 1 789 . 1 . 1 453 453 ILE HD11 H 1 0.771 0.001 . 1 . . . . A 449 ILE HD11 . 52652 1 790 . 1 . 1 453 453 ILE HD12 H 1 0.771 0.001 . 1 . . . . A 449 ILE HD12 . 52652 1 791 . 1 . 1 453 453 ILE HD13 H 1 0.771 0.001 . 1 . . . . A 449 ILE HD13 . 52652 1 792 . 1 . 1 453 453 ILE CD1 C 13 14.381 0.016 . 1 . . . . A 449 ILE CD1 . 52652 1 793 . 1 . 1 460 460 LEU HD11 H 1 0.763 0.004 . 1 . . . . A 456 LEU HD11 . 52652 1 794 . 1 . 1 460 460 LEU HD12 H 1 0.763 0.004 . 1 . . . . A 456 LEU HD12 . 52652 1 795 . 1 . 1 460 460 LEU HD13 H 1 0.763 0.004 . 1 . . . . A 456 LEU HD13 . 52652 1 796 . 1 . 1 460 460 LEU HD21 H 1 0.967 0.005 . 1 . . . . A 456 LEU HD21 . 52652 1 797 . 1 . 1 460 460 LEU HD22 H 1 0.967 0.005 . 1 . . . . A 456 LEU HD22 . 52652 1 798 . 1 . 1 460 460 LEU HD23 H 1 0.967 0.005 . 1 . . . . A 456 LEU HD23 . 52652 1 799 . 1 . 1 460 460 LEU CD1 C 13 26.179 0.010 . 1 . . . . A 456 LEU CD1 . 52652 1 800 . 1 . 1 460 460 LEU CD2 C 13 23.338 0.025 . 1 . . . . A 456 LEU CD2 . 52652 1 801 . 1 . 1 462 462 ILE HD11 H 1 0.487 0.003 . 1 . . . . A 458 ILE HD11 . 52652 1 802 . 1 . 1 462 462 ILE HD12 H 1 0.487 0.003 . 1 . . . . A 458 ILE HD12 . 52652 1 803 . 1 . 1 462 462 ILE HD13 H 1 0.487 0.003 . 1 . . . . A 458 ILE HD13 . 52652 1 804 . 1 . 1 462 462 ILE CD1 C 13 13.166 0.015 . 1 . . . . A 458 ILE CD1 . 52652 1 805 . 1 . 1 474 474 LEU HD11 H 1 0.745 0.002 . 1 . . . . A 470 LEU HD11 . 52652 1 806 . 1 . 1 474 474 LEU HD12 H 1 0.745 0.002 . 1 . . . . A 470 LEU HD12 . 52652 1 807 . 1 . 1 474 474 LEU HD13 H 1 0.745 0.002 . 1 . . . . A 470 LEU HD13 . 52652 1 808 . 1 . 1 474 474 LEU HD21 H 1 0.839 0.003 . 1 . . . . A 470 LEU HD21 . 52652 1 809 . 1 . 1 474 474 LEU HD22 H 1 0.839 0.003 . 1 . . . . A 470 LEU HD22 . 52652 1 810 . 1 . 1 474 474 LEU HD23 H 1 0.839 0.003 . 1 . . . . A 470 LEU HD23 . 52652 1 811 . 1 . 1 474 474 LEU CD1 C 13 25.436 0.021 . 1 . . . . A 470 LEU CD1 . 52652 1 812 . 1 . 1 474 474 LEU CD2 C 13 25.178 0.033 . 1 . . . . A 470 LEU CD2 . 52652 1 813 . 1 . 1 476 476 LEU HD11 H 1 0.168 0.004 . 1 . . . . A 472 LEU HD11 . 52652 1 814 . 1 . 1 476 476 LEU HD12 H 1 0.168 0.004 . 1 . . . . A 472 LEU HD12 . 52652 1 815 . 1 . 1 476 476 LEU HD13 H 1 0.168 0.004 . 1 . . . . A 472 LEU HD13 . 52652 1 816 . 1 . 1 476 476 LEU HD21 H 1 0.378 0.004 . 1 . . . . A 472 LEU HD21 . 52652 1 817 . 1 . 1 476 476 LEU HD22 H 1 0.378 0.004 . 1 . . . . A 472 LEU HD22 . 52652 1 818 . 1 . 1 476 476 LEU HD23 H 1 0.378 0.004 . 1 . . . . A 472 LEU HD23 . 52652 1 819 . 1 . 1 476 476 LEU CD1 C 13 23.037 0.024 . 1 . . . . A 472 LEU CD1 . 52652 1 820 . 1 . 1 476 476 LEU CD2 C 13 23.366 0.037 . 1 . . . . A 472 LEU CD2 . 52652 1 821 . 1 . 1 477 477 VAL HG11 H 1 0.582 0.005 . 1 . . . . A 473 VAL HG11 . 52652 1 822 . 1 . 1 477 477 VAL HG12 H 1 0.582 0.005 . 1 . . . . A 473 VAL HG12 . 52652 1 823 . 1 . 1 477 477 VAL HG13 H 1 0.582 0.005 . 1 . . . . A 473 VAL HG13 . 52652 1 824 . 1 . 1 477 477 VAL HG21 H 1 0.450 0.004 . 1 . . . . A 473 VAL HG21 . 52652 1 825 . 1 . 1 477 477 VAL HG22 H 1 0.450 0.004 . 1 . . . . A 473 VAL HG22 . 52652 1 826 . 1 . 1 477 477 VAL HG23 H 1 0.450 0.004 . 1 . . . . A 473 VAL HG23 . 52652 1 827 . 1 . 1 477 477 VAL CG1 C 13 20.154 0.016 . 1 . . . . A 473 VAL CG1 . 52652 1 828 . 1 . 1 477 477 VAL CG2 C 13 18.476 0.016 . 1 . . . . A 473 VAL CG2 . 52652 1 829 . 1 . 1 485 485 LEU HD11 H 1 0.753 0.004 . 1 . . . . A 481 LEU HD11 . 52652 1 830 . 1 . 1 485 485 LEU HD12 H 1 0.753 0.004 . 1 . . . . A 481 LEU HD12 . 52652 1 831 . 1 . 1 485 485 LEU HD13 H 1 0.753 0.004 . 1 . . . . A 481 LEU HD13 . 52652 1 832 . 1 . 1 485 485 LEU HD21 H 1 0.567 0.006 . 1 . . . . A 481 LEU HD21 . 52652 1 833 . 1 . 1 485 485 LEU HD22 H 1 0.567 0.006 . 1 . . . . A 481 LEU HD22 . 52652 1 834 . 1 . 1 485 485 LEU HD23 H 1 0.567 0.006 . 1 . . . . A 481 LEU HD23 . 52652 1 835 . 1 . 1 485 485 LEU CD1 C 13 23.717 0.018 . 1 . . . . A 481 LEU CD1 . 52652 1 836 . 1 . 1 485 485 LEU CD2 C 13 25.501 0.031 . 1 . . . . A 481 LEU CD2 . 52652 1 837 . 1 . 1 488 488 LEU HD11 H 1 0.783 0.001 . 1 . . . . A 484 LEU HD11 . 52652 1 838 . 1 . 1 488 488 LEU HD12 H 1 0.783 0.001 . 1 . . . . A 484 LEU HD12 . 52652 1 839 . 1 . 1 488 488 LEU HD13 H 1 0.783 0.001 . 1 . . . . A 484 LEU HD13 . 52652 1 840 . 1 . 1 488 488 LEU HD21 H 1 0.780 0.002 . 1 . . . . A 484 LEU HD21 . 52652 1 841 . 1 . 1 488 488 LEU HD22 H 1 0.780 0.002 . 1 . . . . A 484 LEU HD22 . 52652 1 842 . 1 . 1 488 488 LEU HD23 H 1 0.780 0.002 . 1 . . . . A 484 LEU HD23 . 52652 1 843 . 1 . 1 488 488 LEU CD1 C 13 25.376 0.009 . 1 . . . . A 484 LEU CD1 . 52652 1 844 . 1 . 1 488 488 LEU CD2 C 13 24.613 0.043 . 1 . . . . A 484 LEU CD2 . 52652 1 845 . 1 . 1 489 489 ILE HD11 H 1 0.515 0.004 . 1 . . . . A 485 ILE HD11 . 52652 1 846 . 1 . 1 489 489 ILE HD12 H 1 0.515 0.004 . 1 . . . . A 485 ILE HD12 . 52652 1 847 . 1 . 1 489 489 ILE HD13 H 1 0.515 0.004 . 1 . . . . A 485 ILE HD13 . 52652 1 848 . 1 . 1 489 489 ILE CD1 C 13 12.804 0.027 . 1 . . . . A 485 ILE CD1 . 52652 1 849 . 1 . 1 501 501 VAL HG11 H 1 0.507 0.003 . 1 . . . . A 497 VAL HG11 . 52652 1 850 . 1 . 1 501 501 VAL HG12 H 1 0.507 0.003 . 1 . . . . A 497 VAL HG12 . 52652 1 851 . 1 . 1 501 501 VAL HG13 H 1 0.507 0.003 . 1 . . . . A 497 VAL HG13 . 52652 1 852 . 1 . 1 501 501 VAL HG21 H 1 -0.189 0.004 . 1 . . . . A 497 VAL HG21 . 52652 1 853 . 1 . 1 501 501 VAL HG22 H 1 -0.189 0.004 . 1 . . . . A 497 VAL HG22 . 52652 1 854 . 1 . 1 501 501 VAL HG23 H 1 -0.189 0.004 . 1 . . . . A 497 VAL HG23 . 52652 1 855 . 1 . 1 501 501 VAL CG1 C 13 22.412 0.012 . 1 . . . . A 497 VAL CG1 . 52652 1 856 . 1 . 1 501 501 VAL CG2 C 13 20.529 0.016 . 1 . . . . A 497 VAL CG2 . 52652 1 857 . 1 . 1 504 504 MET HE1 H 1 1.481 0.003 . 1 . . . . A 500 MET HE1 . 52652 1 858 . 1 . 1 504 504 MET HE2 H 1 1.481 0.003 . 1 . . . . A 500 MET HE2 . 52652 1 859 . 1 . 1 504 504 MET HE3 H 1 1.481 0.003 . 1 . . . . A 500 MET HE3 . 52652 1 860 . 1 . 1 504 504 MET CE C 13 16.831 0.017 . 1 . . . . A 500 MET CE . 52652 1 861 . 1 . 1 508 508 LEU HD11 H 1 0.576 0.003 . 1 . . . . A 504 LEU HD11 . 52652 1 862 . 1 . 1 508 508 LEU HD12 H 1 0.576 0.003 . 1 . . . . A 504 LEU HD12 . 52652 1 863 . 1 . 1 508 508 LEU HD13 H 1 0.576 0.003 . 1 . . . . A 504 LEU HD13 . 52652 1 864 . 1 . 1 508 508 LEU HD21 H 1 0.588 0.003 . 1 . . . . A 504 LEU HD21 . 52652 1 865 . 1 . 1 508 508 LEU HD22 H 1 0.588 0.003 . 1 . . . . A 504 LEU HD22 . 52652 1 866 . 1 . 1 508 508 LEU HD23 H 1 0.588 0.003 . 1 . . . . A 504 LEU HD23 . 52652 1 867 . 1 . 1 508 508 LEU CD1 C 13 22.344 0.027 . 1 . . . . A 504 LEU CD1 . 52652 1 868 . 1 . 1 508 508 LEU CD2 C 13 25.804 0.022 . 1 . . . . A 504 LEU CD2 . 52652 1 869 . 1 . 1 511 511 LEU HD11 H 1 1.067 0.002 . 1 . . . . A 507 LEU HD11 . 52652 1 870 . 1 . 1 511 511 LEU HD12 H 1 1.067 0.002 . 1 . . . . A 507 LEU HD12 . 52652 1 871 . 1 . 1 511 511 LEU HD13 H 1 1.067 0.002 . 1 . . . . A 507 LEU HD13 . 52652 1 872 . 1 . 1 511 511 LEU HD21 H 1 0.963 0.004 . 1 . . . . A 507 LEU HD21 . 52652 1 873 . 1 . 1 511 511 LEU HD22 H 1 0.963 0.004 . 1 . . . . A 507 LEU HD22 . 52652 1 874 . 1 . 1 511 511 LEU HD23 H 1 0.963 0.004 . 1 . . . . A 507 LEU HD23 . 52652 1 875 . 1 . 1 511 511 LEU CD1 C 13 24.807 0.022 . 1 . . . . A 507 LEU CD1 . 52652 1 876 . 1 . 1 511 511 LEU CD2 C 13 25.289 0.021 . 1 . . . . A 507 LEU CD2 . 52652 1 877 . 1 . 1 512 512 MET HE1 H 1 0.863 0.004 . 1 . . . . A 508 MET HE1 . 52652 1 878 . 1 . 1 512 512 MET HE2 H 1 0.863 0.004 . 1 . . . . A 508 MET HE2 . 52652 1 879 . 1 . 1 512 512 MET HE3 H 1 0.863 0.004 . 1 . . . . A 508 MET HE3 . 52652 1 880 . 1 . 1 512 512 MET CE C 13 15.621 0.017 . 1 . . . . A 508 MET CE . 52652 1 881 . 1 . 1 523 523 LEU HD11 H 1 0.899 0.002 . 1 . . . . A 519 LEU HD11 . 52652 1 882 . 1 . 1 523 523 LEU HD12 H 1 0.899 0.002 . 1 . . . . A 519 LEU HD12 . 52652 1 883 . 1 . 1 523 523 LEU HD13 H 1 0.899 0.002 . 1 . . . . A 519 LEU HD13 . 52652 1 884 . 1 . 1 523 523 LEU HD21 H 1 0.757 0.004 . 1 . . . . A 519 LEU HD21 . 52652 1 885 . 1 . 1 523 523 LEU HD22 H 1 0.757 0.004 . 1 . . . . A 519 LEU HD22 . 52652 1 886 . 1 . 1 523 523 LEU HD23 H 1 0.757 0.004 . 1 . . . . A 519 LEU HD23 . 52652 1 887 . 1 . 1 523 523 LEU CD1 C 13 26.798 0.016 . 1 . . . . A 519 LEU CD1 . 52652 1 888 . 1 . 1 523 523 LEU CD2 C 13 22.547 0.021 . 1 . . . . A 519 LEU CD2 . 52652 1 889 . 1 . 1 526 526 LEU HD11 H 1 0.914 0.003 . 1 . . . . A 522 LEU HD11 . 52652 1 890 . 1 . 1 526 526 LEU HD12 H 1 0.914 0.003 . 1 . . . . A 522 LEU HD12 . 52652 1 891 . 1 . 1 526 526 LEU HD13 H 1 0.914 0.003 . 1 . . . . A 522 LEU HD13 . 52652 1 892 . 1 . 1 526 526 LEU HD21 H 1 0.768 0.003 . 1 . . . . A 522 LEU HD21 . 52652 1 893 . 1 . 1 526 526 LEU HD22 H 1 0.768 0.003 . 1 . . . . A 522 LEU HD22 . 52652 1 894 . 1 . 1 526 526 LEU HD23 H 1 0.768 0.003 . 1 . . . . A 522 LEU HD23 . 52652 1 895 . 1 . 1 526 526 LEU CD1 C 13 25.696 0.017 . 1 . . . . A 522 LEU CD1 . 52652 1 896 . 1 . 1 526 526 LEU CD2 C 13 22.663 0.033 . 1 . . . . A 522 LEU CD2 . 52652 1 897 . 1 . 1 537 537 VAL HG11 H 1 0.901 0.001 . 1 . . . . A 533 VAL HG11 . 52652 1 898 . 1 . 1 537 537 VAL HG12 H 1 0.901 0.001 . 1 . . . . A 533 VAL HG12 . 52652 1 899 . 1 . 1 537 537 VAL HG13 H 1 0.901 0.001 . 1 . . . . A 533 VAL HG13 . 52652 1 900 . 1 . 1 537 537 VAL HG21 H 1 0.878 0.001 . 1 . . . . A 533 VAL HG21 . 52652 1 901 . 1 . 1 537 537 VAL HG22 H 1 0.878 0.001 . 1 . . . . A 533 VAL HG22 . 52652 1 902 . 1 . 1 537 537 VAL HG23 H 1 0.878 0.001 . 1 . . . . A 533 VAL HG23 . 52652 1 903 . 1 . 1 537 537 VAL CG1 C 13 21.327 0.006 . 1 . . . . A 533 VAL CG1 . 52652 1 904 . 1 . 1 537 537 VAL CG2 C 13 19.775 0.004 . 1 . . . . A 533 VAL CG2 . 52652 1 stop_ save_