data_36548 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36548 _Entry.Title ; Solution structure of AtWRKY11-DBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-16 _Entry.Accession_date 2023-02-16 _Entry.Last_release_date 2025-09-17 _Entry.Original_release_date 2025-09-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 X. Dong X. . . . 36548 2 Y. Hu Y. F. . . 36548 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 36548 'transcriptional factor' . 36548 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36548 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 36548 '15N chemical shifts' 79 36548 '1H chemical shifts' 481 36548 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-04 . original BMRB . 36548 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8IEX 'BMRB Entry Tracking System' 36548 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36548 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36868077 _Citation.DOI 10.1016/j.bbrc.2023.02.072 _Citation.Full_citation . _Citation.Title ; Solution structure of the DNA binding domain of Arabidopsis transcription factor WRKY11. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 653 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-291X _Citation.Journal_CSD 0353 _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 133 _Citation.Page_last 139 _Citation.Year 2023 _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 Kaho Wang J. . . . 36548 1 2 Nanaka Lin Y. . . . 36548 1 3 Madoka Yang J. . . . 36548 1 4 Satomi Zhang Q. . . . 36548 1 5 Nana Liu M. . . . 36548 1 6 Aoi Hu Y. . . . 36548 1 7 Hiroyuki Dong X. . . . 36548 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36548 _Assembly.ID 1 _Assembly.Name 'Probable WRKY transcription factor 11' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass 11090.110 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . 'WRKY DNA-binding protein 11' . 36548 1 2 entity_ZN 2 $entity_ZN B A yes . . . . . . 36548 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' sing . 1 entity_1 1 CYS 50 50 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 271 CYS SG . . A 401 ZN ZN 36548 1 2 'metal coordination' sing . 1 entity_1 1 CYS 56 56 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 277 CYS SG . . A 401 ZN ZN 36548 1 3 'metal coordination' sing . 1 entity_1 1 HIS 80 80 ND1 . 2 entity_ZN 2 ZN 1 1 ZN . . A 301 HIS ND1 . . A 401 ZN ZN 36548 1 4 'metal coordination' sing . 1 entity_1 1 HIS 82 82 NE2 . 2 entity_ZN 2 ZN 1 1 ZN . . A 303 HIS NE2 . . A 401 ZN ZN 36548 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 50 50 HG A 271 CYS HG 36548 1 2 . 1 . CYS 56 56 HG A 277 CYS HG 36548 1 3 . 1 . HIS 80 80 HD1 A 301 HIS HD1 36548 1 4 . 1 . HIS 82 82 HE2 A 303 HIS HE2 36548 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 222 MET . start . . 36548 1 . 1 1 10 THR 10 . A 231 THR . middle . . 36548 1 . 1 1 11 VAL 11 . A 232 VAL . middle . . 36548 1 . 1 1 12 ARG 12 . A 233 ARG . middle . . 36548 1 . 1 1 13 VAL 13 . A 234 VAL . middle . . 36548 1 . 1 1 14 PRO 14 . A 235 PRO . middle no . 36548 1 . 1 1 15 ALA 15 . A 236 ALA . middle . . 36548 1 . 1 1 16 ILE 16 . A 237 ILE . middle . . 36548 1 . 1 1 17 SER 17 . A 238 SER . middle . . 36548 1 . 1 1 18 ALA 18 . A 239 ALA . middle . . 36548 1 . 1 1 19 LYS 19 . A 240 LYS . middle . . 36548 1 . 1 1 2 SER 2 . A 223 SER . middle . . 36548 1 . 1 1 20 ILE 20 . A 241 ILE . middle . . 36548 1 . 1 1 21 ALA 21 . A 242 ALA . middle . . 36548 1 . 1 1 22 ASP 22 . A 243 ASP . middle . . 36548 1 . 1 1 23 ILE 23 . A 244 ILE . middle . . 36548 1 . 1 1 24 PRO 24 . A 245 PRO . middle no . 36548 1 . 1 1 25 PRO 25 . A 246 PRO . middle no . 36548 1 . 1 1 26 ASP 26 . A 247 ASP . middle . . 36548 1 . 1 1 27 GLU 27 . A 248 GLU . middle . . 36548 1 . 1 1 28 TYR 28 . A 249 TYR . middle . . 36548 1 . 1 1 29 SER 29 . A 250 SER . middle . . 36548 1 . 1 1 3 ARG 3 . A 224 ARG . middle . . 36548 1 . 1 1 30 TRP 30 . A 251 TRP . middle . . 36548 1 . 1 1 31 ARG 31 . A 252 ARG . middle . . 36548 1 . 1 1 32 LYS 32 . A 253 LYS . middle . . 36548 1 . 1 1 33 TYR 33 . A 254 TYR . middle . . 36548 1 . 1 1 34 GLY 34 . A 255 GLY . middle no . 36548 1 . 1 1 35 GLN 35 . A 256 GLN . middle . . 36548 1 . 1 1 36 LYS 36 . A 257 LYS . middle . . 36548 1 . 1 1 37 PRO 37 . A 258 PRO . middle no . 36548 1 . 1 1 38 ILE 38 . A 259 ILE . middle . . 36548 1 . 1 1 39 LYS 39 . A 260 LYS . middle . . 36548 1 . 1 1 4 LYS 4 . A 225 LYS . middle . . 36548 1 . 1 1 40 GLY 40 . A 261 GLY . middle no . 36548 1 . 1 1 41 SER 41 . A 262 SER . middle . . 36548 1 . 1 1 42 PRO 42 . A 263 PRO . middle no . 36548 1 . 1 1 43 HIS 43 . A 264 HIS . middle . . 36548 1 . 1 1 44 PRO 44 . A 265 PRO . middle no . 36548 1 . 1 1 45 ARG 45 . A 266 ARG . middle . . 36548 1 . 1 1 46 GLY 46 . A 267 GLY . middle no . 36548 1 . 1 1 47 TYR 47 . A 268 TYR . middle . . 36548 1 . 1 1 48 TYR 48 . A 269 TYR . middle . . 36548 1 . 1 1 49 LYS 49 . A 270 LYS . middle . . 36548 1 . 1 1 5 ASN 5 . A 226 ASN . middle . . 36548 1 . 1 1 50 CYS 50 . A 271 CYS . middle . . 36548 1 . 1 1 51 SER 51 . A 272 SER . middle . . 36548 1 . 1 1 52 THR 52 . A 273 THR . middle . . 36548 1 . 1 1 53 PHE 53 . A 274 PHE . middle . . 36548 1 . 1 1 54 ARG 54 . A 275 ARG . middle . . 36548 1 . 1 1 55 GLY 55 . A 276 GLY . middle no . 36548 1 . 1 1 56 CYS 56 . A 277 CYS . middle . . 36548 1 . 1 1 57 PRO 57 . A 278 PRO . middle no . 36548 1 . 1 1 58 ALA 58 . A 279 ALA . middle . . 36548 1 . 1 1 59 ARG 59 . A 280 ARG . middle . . 36548 1 . 1 1 6 ARG 6 . A 227 ARG . middle . . 36548 1 . 1 1 60 LYS 60 . A 281 LYS . middle . . 36548 1 . 1 1 61 HIS 61 . A 282 HIS . middle . . 36548 1 . 1 1 62 VAL 62 . A 283 VAL . middle . . 36548 1 . 1 1 63 GLU 63 . A 284 GLU . middle . . 36548 1 . 1 1 64 ARG 64 . A 285 ARG . middle . . 36548 1 . 1 1 65 ALA 65 . A 286 ALA . middle . . 36548 1 . 1 1 66 LEU 66 . A 287 LEU . middle . . 36548 1 . 1 1 67 ASP 67 . A 288 ASP . middle . . 36548 1 . 1 1 68 ASP 68 . A 289 ASP . middle . . 36548 1 . 1 1 69 PRO 69 . A 290 PRO . middle no . 36548 1 . 1 1 7 MET 7 . A 228 MET . middle . . 36548 1 . 1 1 70 ALA 70 . A 291 ALA . middle . . 36548 1 . 1 1 71 MET 71 . A 292 MET . middle . . 36548 1 . 1 1 72 LEU 72 . A 293 LEU . middle . . 36548 1 . 1 1 73 ILE 73 . A 294 ILE . middle . . 36548 1 . 1 1 74 VAL 74 . A 295 VAL . middle . . 36548 1 . 1 1 75 THR 75 . A 296 THR . middle . . 36548 1 . 1 1 76 TYR 76 . A 297 TYR . middle . . 36548 1 . 1 1 77 GLU 77 . A 298 GLU . middle . . 36548 1 . 1 1 78 GLY 78 . A 299 GLY . middle no . 36548 1 . 1 1 79 GLU 79 . A 300 GLU . middle . . 36548 1 . 1 1 8 LYS 8 . A 229 LYS . middle . . 36548 1 . 1 1 80 HIS 80 . A 301 HIS . middle . . 36548 1 . 1 1 81 ARG 81 . A 302 ARG . middle . . 36548 1 . 1 1 82 HIS 82 . A 303 HIS . middle . . 36548 1 . 1 1 83 ASN 83 . A 304 ASN . middle . . 36548 1 . 1 1 84 GLN 84 . A 305 GLN . middle . . 36548 1 . 1 1 85 SER 85 . A 306 SER . middle . . 36548 1 . 1 1 86 ALA 86 . A 307 ALA . middle . . 36548 1 . 1 1 87 MET 87 . A 308 MET . middle . . 36548 1 . 1 1 88 LEU 88 . A 309 LEU . middle . . 36548 1 . 1 1 89 GLU 89 . A 310 GLU . middle . . 36548 1 . 1 1 9 ARG 9 . A 230 ARG . middle . . 36548 1 . 1 1 90 HIS 90 . A 311 HIS . middle . . 36548 1 . 1 1 91 HIS 91 . A 312 HIS . middle . . 36548 1 . 1 1 92 HIS 92 . A 313 HIS . middle . . 36548 1 . 1 1 93 HIS 93 . A 314 HIS . middle . . 36548 1 . 1 1 94 HIS 94 . A 315 HIS . end . . 36548 1 . 2 2 1 ZN 1 . A 401 ZN . . . . 36548 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36548 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Probable WRKY transcription factor 11' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSRKNRMKRTVRVPAISAKI ADIPPDEYSWRKYGQKPIKG SPHPRGYYKCSTFRGCPARK HVERALDDPAMLIVTYEGEH RHNQSAMLEHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11024.701 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WRKY DNA-binding protein 11' common 36548 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 1 222 MET . 36548 1 2 223 SER . 36548 1 3 224 ARG . 36548 1 4 225 LYS . 36548 1 5 226 ASN . 36548 1 6 227 ARG . 36548 1 7 228 MET . 36548 1 8 229 LYS . 36548 1 9 230 ARG . 36548 1 10 231 THR . 36548 1 11 232 VAL . 36548 1 12 233 ARG . 36548 1 13 234 VAL . 36548 1 14 235 PRO . 36548 1 15 236 ALA . 36548 1 16 237 ILE . 36548 1 17 238 SER . 36548 1 18 239 ALA . 36548 1 19 240 LYS . 36548 1 20 241 ILE . 36548 1 21 242 ALA . 36548 1 22 243 ASP . 36548 1 23 244 ILE . 36548 1 24 245 PRO . 36548 1 25 246 PRO . 36548 1 26 247 ASP . 36548 1 27 248 GLU . 36548 1 28 249 TYR . 36548 1 29 250 SER . 36548 1 30 251 TRP . 36548 1 31 252 ARG . 36548 1 32 253 LYS . 36548 1 33 254 TYR . 36548 1 34 255 GLY . 36548 1 35 256 GLN . 36548 1 36 257 LYS . 36548 1 37 258 PRO . 36548 1 38 259 ILE . 36548 1 39 260 LYS . 36548 1 40 261 GLY . 36548 1 41 262 SER . 36548 1 42 263 PRO . 36548 1 43 264 HIS . 36548 1 44 265 PRO . 36548 1 45 266 ARG . 36548 1 46 267 GLY . 36548 1 47 268 TYR . 36548 1 48 269 TYR . 36548 1 49 270 LYS . 36548 1 50 271 CYS . 36548 1 51 272 SER . 36548 1 52 273 THR . 36548 1 53 274 PHE . 36548 1 54 275 ARG . 36548 1 55 276 GLY . 36548 1 56 277 CYS . 36548 1 57 278 PRO . 36548 1 58 279 ALA . 36548 1 59 280 ARG . 36548 1 60 281 LYS . 36548 1 61 282 HIS . 36548 1 62 283 VAL . 36548 1 63 284 GLU . 36548 1 64 285 ARG . 36548 1 65 286 ALA . 36548 1 66 287 LEU . 36548 1 67 288 ASP . 36548 1 68 289 ASP . 36548 1 69 290 PRO . 36548 1 70 291 ALA . 36548 1 71 292 MET . 36548 1 72 293 LEU . 36548 1 73 294 ILE . 36548 1 74 295 VAL . 36548 1 75 296 THR . 36548 1 76 297 TYR . 36548 1 77 298 GLU . 36548 1 78 299 GLY . 36548 1 79 300 GLU . 36548 1 80 301 HIS . 36548 1 81 302 ARG . 36548 1 82 303 HIS . 36548 1 83 304 ASN . 36548 1 84 305 GLN . 36548 1 85 306 SER . 36548 1 86 307 ALA . 36548 1 87 308 MET . 36548 1 88 309 LEU . 36548 1 89 310 GLU . 36548 1 90 311 HIS . 36548 1 91 312 HIS . 36548 1 92 313 HIS . 36548 1 93 314 HIS . 36548 1 94 315 HIS . 36548 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36548 1 . SER 2 2 36548 1 . ARG 3 3 36548 1 . LYS 4 4 36548 1 . ASN 5 5 36548 1 . ARG 6 6 36548 1 . MET 7 7 36548 1 . LYS 8 8 36548 1 . ARG 9 9 36548 1 . THR 10 10 36548 1 . VAL 11 11 36548 1 . ARG 12 12 36548 1 . VAL 13 13 36548 1 . PRO 14 14 36548 1 . ALA 15 15 36548 1 . ILE 16 16 36548 1 . SER 17 17 36548 1 . ALA 18 18 36548 1 . LYS 19 19 36548 1 . ILE 20 20 36548 1 . ALA 21 21 36548 1 . ASP 22 22 36548 1 . ILE 23 23 36548 1 . PRO 24 24 36548 1 . PRO 25 25 36548 1 . ASP 26 26 36548 1 . GLU 27 27 36548 1 . TYR 28 28 36548 1 . SER 29 29 36548 1 . TRP 30 30 36548 1 . ARG 31 31 36548 1 . LYS 32 32 36548 1 . TYR 33 33 36548 1 . GLY 34 34 36548 1 . GLN 35 35 36548 1 . LYS 36 36 36548 1 . PRO 37 37 36548 1 . ILE 38 38 36548 1 . LYS 39 39 36548 1 . GLY 40 40 36548 1 . SER 41 41 36548 1 . PRO 42 42 36548 1 . HIS 43 43 36548 1 . PRO 44 44 36548 1 . ARG 45 45 36548 1 . GLY 46 46 36548 1 . TYR 47 47 36548 1 . TYR 48 48 36548 1 . LYS 49 49 36548 1 . CYS 50 50 36548 1 . SER 51 51 36548 1 . THR 52 52 36548 1 . PHE 53 53 36548 1 . ARG 54 54 36548 1 . GLY 55 55 36548 1 . CYS 56 56 36548 1 . PRO 57 57 36548 1 . ALA 58 58 36548 1 . ARG 59 59 36548 1 . LYS 60 60 36548 1 . HIS 61 61 36548 1 . VAL 62 62 36548 1 . GLU 63 63 36548 1 . ARG 64 64 36548 1 . ALA 65 65 36548 1 . LEU 66 66 36548 1 . ASP 67 67 36548 1 . ASP 68 68 36548 1 . PRO 69 69 36548 1 . ALA 70 70 36548 1 . MET 71 71 36548 1 . LEU 72 72 36548 1 . ILE 73 73 36548 1 . VAL 74 74 36548 1 . THR 75 75 36548 1 . TYR 76 76 36548 1 . GLU 77 77 36548 1 . GLY 78 78 36548 1 . GLU 79 79 36548 1 . HIS 80 80 36548 1 . ARG 81 81 36548 1 . HIS 82 82 36548 1 . ASN 83 83 36548 1 . GLN 84 84 36548 1 . SER 85 85 36548 1 . ALA 86 86 36548 1 . MET 87 87 36548 1 . LEU 88 88 36548 1 . GLU 89 89 36548 1 . HIS 90 90 36548 1 . HIS 91 91 36548 1 . HIS 92 92 36548 1 . HIS 93 93 36548 1 . HIS 94 94 36548 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 36548 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 401 ZN $chem_comp_ZN 36548 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36548 _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 . 3702 organism . 'Arabidopsis thaliana' 'mouse-ear cress' . . . Viridiplantae Arabidopsis thaliana . . . . . . . . . . . 'WRKY11, At4g31550, F3L17.120' . 36548 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36548 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36548 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 36548 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 36548 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 36548 ZN [Zn++] SMILES CACTVS 3.341 36548 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 36548 ZN [Zn+2] SMILES ACDLabs 10.04 36548 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 36548 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36548 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 36548 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36548 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36548 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36548 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '30 mM MES, 150 mM sodium chloride, 20 uM ZnSO4, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Probable WRKY transcription factor 11' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.8 . . mM . . . . 36548 1 2 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 36548 1 3 MES 'natural abundance' . . . . . buffer 30 . . mM . . . . 36548 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36548 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36548 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36548 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 36548 1 pH 6.0 . pH 36548 1 pressure 1 . bar 36548 1 temperature 298 . K 36548 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36548 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36548 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36548 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36548 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36548 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36548 2 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 36548 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36548 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36548 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 36548 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 36548 1 stop_ 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 36548 _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 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36548 1 2 '3D 1H-13C NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36548 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36548 1 4 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36548 1 5 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36548 1 6 '3D H(CCO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36548 1 7 '3D C(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36548 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36548 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . 'H2O and D2O' . ppm 0 internal indirect 0.251449530 . . . . . 36548 1 H 1 DSS 'methyl protons' . . 'H2O and D2O' . ppm 0 internal direct 1.0 . . . . . 36548 1 N 15 DSS 'methyl protons' . . 'H2O and D2O' . ppm 0 internal indirect 0.101329118 . . . . . 36548 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 36548 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36548 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36548 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36548 1 4 '3D HNCA' 1 $sample_1 isotropic 36548 1 5 '3D HNCACB' 1 $sample_1 isotropic 36548 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 36548 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 ARG H H 1 8.39766 . . 1 . . . . A 224 ARG H . 36548 1 2 . 1 . 1 3 3 ARG HA H 1 4.46520 . . 1 . . . . A 224 ARG HA . 36548 1 3 . 1 . 1 3 3 ARG HB3 H 1 1.49934 . . . . . . . A 224 ARG HB3 . 36548 1 4 . 1 . 1 3 3 ARG N N 15 121.73652 . . 1 . . . . A 224 ARG N . 36548 1 5 . 1 . 1 4 4 LYS H H 1 8.44648 . . 1 . . . . A 225 LYS H . 36548 1 6 . 1 . 1 4 4 LYS CG C 13 24.83715 . . 1 . . . . A 225 LYS CG . 36548 1 7 . 1 . 1 4 4 LYS CD C 13 29.05642 . . 1 . . . . A 225 LYS CD . 36548 1 8 . 1 . 1 4 4 LYS CE C 13 42.08132 . . 1 . . . . A 225 LYS CE . 36548 1 9 . 1 . 1 4 4 LYS N N 15 122.71686 . . 1 . . . . A 225 LYS N . 36548 1 10 . 1 . 1 5 5 ASN H H 1 8.42995 . . 1 . . . . A 226 ASN H . 36548 1 11 . 1 . 1 5 5 ASN CA C 13 53.30308 . . 1 . . . . A 226 ASN CA . 36548 1 12 . 1 . 1 5 5 ASN CB C 13 38.98066 . . 1 . . . . A 226 ASN CB . 36548 1 13 . 1 . 1 5 5 ASN N N 15 120.07755 . . 1 . . . . A 226 ASN N . 36548 1 14 . 1 . 1 6 6 ARG H H 1 8.39110 . . 1 . . . . A 227 ARG H . 36548 1 15 . 1 . 1 6 6 ARG HA H 1 4.40864 . . 1 . . . . A 227 ARG HA . 36548 1 16 . 1 . 1 6 6 ARG HB2 H 1 1.78631 . . . . . . . A 227 ARG HB2 . 36548 1 17 . 1 . 1 6 6 ARG HB3 H 1 1.78631 . . . . . . . A 227 ARG HB3 . 36548 1 18 . 1 . 1 6 6 ARG CA C 13 56.25629 . . 1 . . . . A 227 ARG CA . 36548 1 19 . 1 . 1 6 6 ARG CB C 13 30.73220 . . 1 . . . . A 227 ARG CB . 36548 1 20 . 1 . 1 6 6 ARG N N 15 121.79716 . . 1 . . . . A 227 ARG N . 36548 1 21 . 1 . 1 7 7 MET H H 1 8.43481 . . 1 . . . . A 228 MET H . 36548 1 22 . 1 . 1 7 7 MET HA H 1 4.44034 . . 1 . . . . A 228 MET HA . 36548 1 23 . 1 . 1 7 7 MET HB2 H 1 2.08802 . . . . . . . A 228 MET HB2 . 36548 1 24 . 1 . 1 7 7 MET HB3 H 1 2.08173 . . . . . . . A 228 MET HB3 . 36548 1 25 . 1 . 1 7 7 MET HG2 H 1 2.58742 . . . . . . . A 228 MET HG2 . 36548 1 26 . 1 . 1 7 7 MET HG3 H 1 2.58742 . . . . . . . A 228 MET HG3 . 36548 1 27 . 1 . 1 7 7 MET CB C 13 32.83934 . . 1 . . . . A 228 MET CB . 36548 1 28 . 1 . 1 7 7 MET CG C 13 32.12813 . . 1 . . . . A 228 MET CG . 36548 1 29 . 1 . 1 7 7 MET N N 15 121.77210 . . 1 . . . . A 228 MET N . 36548 1 30 . 1 . 1 8 8 LYS H H 1 8.16755 . . 1 . . . . A 229 LYS H . 36548 1 31 . 1 . 1 8 8 LYS HA H 1 5.01102 . . 1 . . . . A 229 LYS HA . 36548 1 32 . 1 . 1 8 8 LYS HB3 H 1 1.72333 . . . . . . . A 229 LYS HB3 . 36548 1 33 . 1 . 1 8 8 LYS CA C 13 55.96719 . . 1 . . . . A 229 LYS CA . 36548 1 34 . 1 . 1 8 8 LYS CB C 13 34.49197 . . 1 . . . . A 229 LYS CB . 36548 1 35 . 1 . 1 8 8 LYS CG C 13 24.88425 . . 1 . . . . A 229 LYS CG . 36548 1 36 . 1 . 1 8 8 LYS CD C 13 29.52206 . . 1 . . . . A 229 LYS CD . 36548 1 37 . 1 . 1 8 8 LYS CE C 13 41.90350 . . 1 . . . . A 229 LYS CE . 36548 1 38 . 1 . 1 8 8 LYS N N 15 123.33617 . . 1 . . . . A 229 LYS N . 36548 1 39 . 1 . 1 9 9 ARG H H 1 8.68985 . . 1 . . . . A 230 ARG H . 36548 1 40 . 1 . 1 9 9 ARG HA H 1 5.00705 . . 1 . . . . A 230 ARG HA . 36548 1 41 . 1 . 1 9 9 ARG HB2 H 1 1.92805 . . . . . . . A 230 ARG HB2 . 36548 1 42 . 1 . 1 9 9 ARG HB3 H 1 1.86727 . . . . . . . A 230 ARG HB3 . 36548 1 43 . 1 . 1 9 9 ARG CA C 13 55.92727 . . 1 . . . . A 230 ARG CA . 36548 1 44 . 1 . 1 9 9 ARG CB C 13 32.90680 . . 1 . . . . A 230 ARG CB . 36548 1 45 . 1 . 1 9 9 ARG CG C 13 27.51580 . . 1 . . . . A 230 ARG CG . 36548 1 46 . 1 . 1 9 9 ARG CD C 13 43.28220 . . 1 . . . . A 230 ARG CD . 36548 1 47 . 1 . 1 9 9 ARG N N 15 124.00318 . . 1 . . . . A 230 ARG N . 36548 1 48 . 1 . 1 10 10 THR H H 1 8.49589 . . 1 . . . . A 231 THR H . 36548 1 49 . 1 . 1 10 10 THR HA H 1 5.52997 . . 1 . . . . A 231 THR HA . 36548 1 50 . 1 . 1 10 10 THR HB H 1 3.89213 . . 1 . . . . A 231 THR HB . 36548 1 51 . 1 . 1 10 10 THR HG21 H 1 1.13420 . . 1 . . . . A 231 THR HG21 . 36548 1 52 . 1 . 1 10 10 THR HG22 H 1 1.13420 . . 1 . . . . A 231 THR HG22 . 36548 1 53 . 1 . 1 10 10 THR HG23 H 1 1.13420 . . 1 . . . . A 231 THR HG23 . 36548 1 54 . 1 . 1 10 10 THR CA C 13 61.38765 . . 1 . . . . A 231 THR CA . 36548 1 55 . 1 . 1 10 10 THR CB C 13 71.24689 . . 1 . . . . A 231 THR CB . 36548 1 56 . 1 . 1 10 10 THR CG2 C 13 22.06244 . . 1 . . . . A 231 THR CG2 . 36548 1 57 . 1 . 1 10 10 THR N N 15 119.20598 . . 1 . . . . A 231 THR N . 36548 1 58 . 1 . 1 11 11 VAL H H 1 9.44586 . . 1 . . . . A 232 VAL H . 36548 1 59 . 1 . 1 11 11 VAL HA H 1 4.90921 . . 1 . . . . A 232 VAL HA . 36548 1 60 . 1 . 1 11 11 VAL HB H 1 2.15567 . . 1 . . . . A 232 VAL HB . 36548 1 61 . 1 . 1 11 11 VAL HG11 H 1 1.03862 . . . . . . . A 232 VAL HG11 . 36548 1 62 . 1 . 1 11 11 VAL HG12 H 1 1.03862 . . . . . . . A 232 VAL HG12 . 36548 1 63 . 1 . 1 11 11 VAL HG13 H 1 1.03862 . . . . . . . A 232 VAL HG13 . 36548 1 64 . 1 . 1 11 11 VAL HG21 H 1 1.05183 . . . . . . . A 232 VAL HG21 . 36548 1 65 . 1 . 1 11 11 VAL HG22 H 1 1.05183 . . . . . . . A 232 VAL HG22 . 36548 1 66 . 1 . 1 11 11 VAL HG23 H 1 1.05183 . . . . . . . A 232 VAL HG23 . 36548 1 67 . 1 . 1 11 11 VAL CA C 13 60.39156 . . 1 . . . . A 232 VAL CA . 36548 1 68 . 1 . 1 11 11 VAL CB C 13 35.65863 . . 1 . . . . A 232 VAL CB . 36548 1 69 . 1 . 1 11 11 VAL CG1 C 13 20.60456 . . . . . . . A 232 VAL CG1 . 36548 1 70 . 1 . 1 11 11 VAL CG2 C 13 21.52675 . . . . . . . A 232 VAL CG2 . 36548 1 71 . 1 . 1 11 11 VAL N N 15 124.02446 . . 1 . . . . A 232 VAL N . 36548 1 72 . 1 . 1 12 12 ARG H H 1 8.36601 . . 1 . . . . A 233 ARG H . 36548 1 73 . 1 . 1 12 12 ARG HA H 1 5.49589 . . 1 . . . . A 233 ARG HA . 36548 1 74 . 1 . 1 12 12 ARG HB2 H 1 1.77271 . . . . . . . A 233 ARG HB2 . 36548 1 75 . 1 . 1 12 12 ARG HB3 H 1 1.66180 . . . . . . . A 233 ARG HB3 . 36548 1 76 . 1 . 1 12 12 ARG HG2 H 1 1.60519 . . . . . . . A 233 ARG HG2 . 36548 1 77 . 1 . 1 12 12 ARG HG3 H 1 1.44559 . . . . . . . A 233 ARG HG3 . 36548 1 78 . 1 . 1 12 12 ARG HD2 H 1 3.18373 . . . . . . . A 233 ARG HD2 . 36548 1 79 . 1 . 1 12 12 ARG HD3 H 1 3.18373 . . . . . . . A 233 ARG HD3 . 36548 1 80 . 1 . 1 12 12 ARG CA C 13 54.86834 . . 1 . . . . A 233 ARG CA . 36548 1 81 . 1 . 1 12 12 ARG CB C 13 31.95133 . . 1 . . . . A 233 ARG CB . 36548 1 82 . 1 . 1 12 12 ARG CG C 13 28.52412 . . 1 . . . . A 233 ARG CG . 36548 1 83 . 1 . 1 12 12 ARG CD C 13 43.54539 . . 1 . . . . A 233 ARG CD . 36548 1 84 . 1 . 1 12 12 ARG N N 15 124.74166 . . 1 . . . . A 233 ARG N . 36548 1 85 . 1 . 1 13 13 VAL H H 1 8.97300 . . 1 . . . . A 234 VAL H . 36548 1 86 . 1 . 1 13 13 VAL HA H 1 4.88855 . . 1 . . . . A 234 VAL HA . 36548 1 87 . 1 . 1 13 13 VAL HB H 1 2.02125 . . 1 . . . . A 234 VAL HB . 36548 1 88 . 1 . 1 13 13 VAL HG11 H 1 0.82927 . . . . . . . A 234 VAL HG11 . 36548 1 89 . 1 . 1 13 13 VAL HG12 H 1 0.82927 . . . . . . . A 234 VAL HG12 . 36548 1 90 . 1 . 1 13 13 VAL HG13 H 1 0.82927 . . . . . . . A 234 VAL HG13 . 36548 1 91 . 1 . 1 13 13 VAL HG21 H 1 0.95103 . . . . . . . A 234 VAL HG21 . 36548 1 92 . 1 . 1 13 13 VAL HG22 H 1 0.95103 . . . . . . . A 234 VAL HG22 . 36548 1 93 . 1 . 1 13 13 VAL HG23 H 1 0.95103 . . . . . . . A 234 VAL HG23 . 36548 1 94 . 1 . 1 13 13 VAL CA C 13 57.88349 . . 1 . . . . A 234 VAL CA . 36548 1 95 . 1 . 1 13 13 VAL CB C 13 34.91356 . . 1 . . . . A 234 VAL CB . 36548 1 96 . 1 . 1 13 13 VAL CG1 C 13 19.93171 . . . . . . . A 234 VAL CG1 . 36548 1 97 . 1 . 1 13 13 VAL CG2 C 13 21.34282 . . . . . . . A 234 VAL CG2 . 36548 1 98 . 1 . 1 13 13 VAL N N 15 122.60316 . . 1 . . . . A 234 VAL N . 36548 1 99 . 1 . 1 14 14 PRO HA H 1 4.90862 . . 1 . . . . A 235 PRO HA . 36548 1 100 . 1 . 1 14 14 PRO HB2 H 1 1.92045 . . . . . . . A 235 PRO HB2 . 36548 1 101 . 1 . 1 14 14 PRO HB3 H 1 1.92045 . . . . . . . A 235 PRO HB3 . 36548 1 102 . 1 . 1 14 14 PRO HG2 H 1 2.36609 . . . . . . . A 235 PRO HG2 . 36548 1 103 . 1 . 1 14 14 PRO HG3 H 1 2.36345 . . . . . . . A 235 PRO HG3 . 36548 1 104 . 1 . 1 14 14 PRO HD2 H 1 3.87204 . . . . . . . A 235 PRO HD2 . 36548 1 105 . 1 . 1 14 14 PRO HD3 H 1 3.71902 . . . . . . . A 235 PRO HD3 . 36548 1 106 . 1 . 1 14 14 PRO CA C 13 63.52222 . . 1 . . . . A 235 PRO CA . 36548 1 107 . 1 . 1 14 14 PRO CB C 13 32.04165 . . 1 . . . . A 235 PRO CB . 36548 1 108 . 1 . 1 14 14 PRO CG C 13 28.00730 . . 1 . . . . A 235 PRO CG . 36548 1 109 . 1 . 1 14 14 PRO CD C 13 50.93842 . . 1 . . . . A 235 PRO CD . 36548 1 110 . 1 . 1 15 15 ALA H H 1 8.35315 . . 1 . . . . A 236 ALA H . 36548 1 111 . 1 . 1 15 15 ALA HA H 1 4.12142 . . 1 . . . . A 236 ALA HA . 36548 1 112 . 1 . 1 15 15 ALA HB1 H 1 1.26715 . . 1 . . . . A 236 ALA HB1 . 36548 1 113 . 1 . 1 15 15 ALA HB2 H 1 1.26715 . . 1 . . . . A 236 ALA HB2 . 36548 1 114 . 1 . 1 15 15 ALA HB3 H 1 1.26715 . . 1 . . . . A 236 ALA HB3 . 36548 1 115 . 1 . 1 15 15 ALA CA C 13 52.66591 . . 1 . . . . A 236 ALA CA . 36548 1 116 . 1 . 1 15 15 ALA CB C 13 18.69028 . . 1 . . . . A 236 ALA CB . 36548 1 117 . 1 . 1 15 15 ALA N N 15 124.19721 . . 1 . . . . A 236 ALA N . 36548 1 118 . 1 . 1 16 16 ILE H H 1 8.27033 . . 1 . . . . A 237 ILE H . 36548 1 119 . 1 . 1 16 16 ILE HA H 1 4.21881 . . 1 . . . . A 237 ILE HA . 36548 1 120 . 1 . 1 16 16 ILE HB H 1 1.90627 . . 1 . . . . A 237 ILE HB . 36548 1 121 . 1 . 1 16 16 ILE HG12 H 1 1.42346 . . . . . . . A 237 ILE HG12 . 36548 1 122 . 1 . 1 16 16 ILE HG13 H 1 1.11974 . . . . . . . A 237 ILE HG13 . 36548 1 123 . 1 . 1 16 16 ILE HG21 H 1 0.90775 . . 1 . . . . A 237 ILE HG21 . 36548 1 124 . 1 . 1 16 16 ILE HG22 H 1 0.90775 . . 1 . . . . A 237 ILE HG22 . 36548 1 125 . 1 . 1 16 16 ILE HG23 H 1 0.90775 . . 1 . . . . A 237 ILE HG23 . 36548 1 126 . 1 . 1 16 16 ILE CA C 13 61.32322 . . 1 . . . . A 237 ILE CA . 36548 1 127 . 1 . 1 16 16 ILE CB C 13 39.12414 . . 1 . . . . A 237 ILE CB . 36548 1 128 . 1 . 1 16 16 ILE CG1 C 13 27.39110 . . 1 . . . . A 237 ILE CG1 . 36548 1 129 . 1 . 1 16 16 ILE CG2 C 13 17.65352 . . 1 . . . . A 237 ILE CG2 . 36548 1 130 . 1 . 1 16 16 ILE CD1 C 13 13.77293 . . 1 . . . . A 237 ILE CD1 . 36548 1 131 . 1 . 1 16 16 ILE N N 15 118.03340 . . 1 . . . . A 237 ILE N . 36548 1 132 . 1 . 1 17 17 SER H H 1 8.09861 . . 1 . . . . A 238 SER H . 36548 1 133 . 1 . 1 17 17 SER HA H 1 4.43319 . . 1 . . . . A 238 SER HA . 36548 1 134 . 1 . 1 17 17 SER HB2 H 1 4.03693 . . . . . . . A 238 SER HB2 . 36548 1 135 . 1 . 1 17 17 SER HB3 H 1 3.84785 . . . . . . . A 238 SER HB3 . 36548 1 136 . 1 . 1 17 17 SER CA C 13 58.06230 . . 1 . . . . A 238 SER CA . 36548 1 137 . 1 . 1 17 17 SER CB C 13 64.31882 . . 1 . . . . A 238 SER CB . 36548 1 138 . 1 . 1 17 17 SER N N 15 117.18555 . . 1 . . . . A 238 SER N . 36548 1 139 . 1 . 1 18 18 ALA H H 1 8.42614 . . 1 . . . . A 239 ALA H . 36548 1 140 . 1 . 1 18 18 ALA HA H 1 4.29736 . . 1 . . . . A 239 ALA HA . 36548 1 141 . 1 . 1 18 18 ALA HB1 H 1 1.39333 . . 1 . . . . A 239 ALA HB1 . 36548 1 142 . 1 . 1 18 18 ALA HB2 H 1 1.39333 . . 1 . . . . A 239 ALA HB2 . 36548 1 143 . 1 . 1 18 18 ALA HB3 H 1 1.39333 . . 1 . . . . A 239 ALA HB3 . 36548 1 144 . 1 . 1 18 18 ALA CA C 13 53.07811 . . 1 . . . . A 239 ALA CA . 36548 1 145 . 1 . 1 18 18 ALA CB C 13 19.04332 . . 1 . . . . A 239 ALA CB . 36548 1 146 . 1 . 1 18 18 ALA N N 15 125.33252 . . 1 . . . . A 239 ALA N . 36548 1 147 . 1 . 1 19 19 LYS H H 1 8.10647 . . 1 . . . . A 240 LYS H . 36548 1 148 . 1 . 1 19 19 LYS HA H 1 4.30345 . . 1 . . . . A 240 LYS HA . 36548 1 149 . 1 . 1 19 19 LYS HB3 H 1 1.86602 . . . . . . . A 240 LYS HB3 . 36548 1 150 . 1 . 1 19 19 LYS HG3 H 1 1.47106 . . . . . . . A 240 LYS HG3 . 36548 1 151 . 1 . 1 19 19 LYS CA C 13 56.53686 . . 1 . . . . A 240 LYS CA . 36548 1 152 . 1 . 1 19 19 LYS CB C 13 32.72329 . . 1 . . . . A 240 LYS CB . 36548 1 153 . 1 . 1 19 19 LYS CG C 13 25.11197 . . 1 . . . . A 240 LYS CG . 36548 1 154 . 1 . 1 19 19 LYS CD C 13 29.05598 . . 1 . . . . A 240 LYS CD . 36548 1 155 . 1 . 1 19 19 LYS N N 15 118.08347 . . 1 . . . . A 240 LYS N . 36548 1 156 . 1 . 1 20 20 ILE H H 1 7.94506 . . 1 . . . . A 241 ILE H . 36548 1 157 . 1 . 1 20 20 ILE HA H 1 4.05824 . . 1 . . . . A 241 ILE HA . 36548 1 158 . 1 . 1 20 20 ILE HB H 1 1.86887 . . 1 . . . . A 241 ILE HB . 36548 1 159 . 1 . 1 20 20 ILE HG12 H 1 1.45032 . . . . . . . A 241 ILE HG12 . 36548 1 160 . 1 . 1 20 20 ILE HG13 H 1 1.20601 . . . . . . . A 241 ILE HG13 . 36548 1 161 . 1 . 1 20 20 ILE HG21 H 1 0.59508 . . 1 . . . . A 241 ILE HG21 . 36548 1 162 . 1 . 1 20 20 ILE HG22 H 1 0.59508 . . 1 . . . . A 241 ILE HG22 . 36548 1 163 . 1 . 1 20 20 ILE HG23 H 1 0.59508 . . 1 . . . . A 241 ILE HG23 . 36548 1 164 . 1 . 1 20 20 ILE HD11 H 1 0.89751 . . 1 . . . . A 241 ILE HD11 . 36548 1 165 . 1 . 1 20 20 ILE HD12 H 1 0.89751 . . 1 . . . . A 241 ILE HD12 . 36548 1 166 . 1 . 1 20 20 ILE HD13 H 1 0.89751 . . 1 . . . . A 241 ILE HD13 . 36548 1 167 . 1 . 1 20 20 ILE CA C 13 61.93653 . . 1 . . . . A 241 ILE CA . 36548 1 168 . 1 . 1 20 20 ILE CB C 13 38.49212 . . 1 . . . . A 241 ILE CB . 36548 1 169 . 1 . 1 20 20 ILE CG1 C 13 27.64499 . . 1 . . . . A 241 ILE CG1 . 36548 1 170 . 1 . 1 20 20 ILE CG2 C 13 17.60985 . . 1 . . . . A 241 ILE CG2 . 36548 1 171 . 1 . 1 20 20 ILE CD1 C 13 13.26244 . . 1 . . . . A 241 ILE CD1 . 36548 1 172 . 1 . 1 20 20 ILE N N 15 120.54251 . . 1 . . . . A 241 ILE N . 36548 1 173 . 1 . 1 21 21 ALA H H 1 8.07707 . . 1 . . . . A 242 ALA H . 36548 1 174 . 1 . 1 21 21 ALA HA H 1 4.35132 . . 1 . . . . A 242 ALA HA . 36548 1 175 . 1 . 1 21 21 ALA HB1 H 1 1.44778 . . 1 . . . . A 242 ALA HB1 . 36548 1 176 . 1 . 1 21 21 ALA HB2 H 1 1.44778 . . 1 . . . . A 242 ALA HB2 . 36548 1 177 . 1 . 1 21 21 ALA HB3 H 1 1.44778 . . 1 . . . . A 242 ALA HB3 . 36548 1 178 . 1 . 1 21 21 ALA CA C 13 52.32323 . . 1 . . . . A 242 ALA CA . 36548 1 179 . 1 . 1 21 21 ALA CB C 13 19.54393 . . 1 . . . . A 242 ALA CB . 36548 1 180 . 1 . 1 21 21 ALA N N 15 123.19376 . . 1 . . . . A 242 ALA N . 36548 1 181 . 1 . 1 22 22 ASP H H 1 7.85656 . . 1 . . . . A 243 ASP H . 36548 1 182 . 1 . 1 22 22 ASP HA H 1 4.59547 . . 1 . . . . A 243 ASP HA . 36548 1 183 . 1 . 1 22 22 ASP HB2 H 1 2.68927 . . . . . . . A 243 ASP HB2 . 36548 1 184 . 1 . 1 22 22 ASP HB3 H 1 2.65414 . . . . . . . A 243 ASP HB3 . 36548 1 185 . 1 . 1 22 22 ASP CA C 13 54.48524 . . 1 . . . . A 243 ASP CA . 36548 1 186 . 1 . 1 22 22 ASP CB C 13 41.37844 . . 1 . . . . A 243 ASP CB . 36548 1 187 . 1 . 1 22 22 ASP N N 15 118.52440 . . 1 . . . . A 243 ASP N . 36548 1 188 . 1 . 1 23 23 ILE H H 1 7.77883 . . 1 . . . . A 244 ILE H . 36548 1 189 . 1 . 1 23 23 ILE HA H 1 4.53415 . . 1 . . . . A 244 ILE HA . 36548 1 190 . 1 . 1 23 23 ILE HB H 1 1.51915 . . 1 . . . . A 244 ILE HB . 36548 1 191 . 1 . 1 23 23 ILE HG12 H 1 1.05288 . . . . . . . A 244 ILE HG12 . 36548 1 192 . 1 . 1 23 23 ILE HG13 H 1 0.84339 . . . . . . . A 244 ILE HG13 . 36548 1 193 . 1 . 1 23 23 ILE HG21 H 1 0.73786 . . 1 . . . . A 244 ILE HG21 . 36548 1 194 . 1 . 1 23 23 ILE HG22 H 1 0.73786 . . 1 . . . . A 244 ILE HG22 . 36548 1 195 . 1 . 1 23 23 ILE HG23 H 1 0.73786 . . 1 . . . . A 244 ILE HG23 . 36548 1 196 . 1 . 1 23 23 ILE HD11 H 1 -0.03942 . . 1 . . . . A 244 ILE HD11 . 36548 1 197 . 1 . 1 23 23 ILE HD12 H 1 -0.03942 . . 1 . . . . A 244 ILE HD12 . 36548 1 198 . 1 . 1 23 23 ILE HD13 H 1 -0.03942 . . 1 . . . . A 244 ILE HD13 . 36548 1 199 . 1 . 1 23 23 ILE CA C 13 58.15938 . . 1 . . . . A 244 ILE CA . 36548 1 200 . 1 . 1 23 23 ILE CB C 13 39.09486 . . 1 . . . . A 244 ILE CB . 36548 1 201 . 1 . 1 23 23 ILE CG1 C 13 25.14369 . . 1 . . . . A 244 ILE CG1 . 36548 1 202 . 1 . 1 23 23 ILE CG2 C 13 18.63796 . . 1 . . . . A 244 ILE CG2 . 36548 1 203 . 1 . 1 23 23 ILE CD1 C 13 13.69916 . . 1 . . . . A 244 ILE CD1 . 36548 1 204 . 1 . 1 23 23 ILE N N 15 114.44278 . . 1 . . . . A 244 ILE N . 36548 1 205 . 1 . 1 24 24 PRO HB3 H 1 1.85119 . . . . . . . A 245 PRO HB3 . 36548 1 206 . 1 . 1 24 24 PRO HD2 H 1 3.60914 . . . . . . . A 245 PRO HD2 . 36548 1 207 . 1 . 1 24 24 PRO HD3 H 1 3.29930 . . . . . . . A 245 PRO HD3 . 36548 1 208 . 1 . 1 24 24 PRO CD C 13 50.60106 . . 1 . . . . A 245 PRO CD . 36548 1 209 . 1 . 1 25 25 PRO HA H 1 4.51162 . . 1 . . . . A 246 PRO HA . 36548 1 210 . 1 . 1 25 25 PRO HB2 H 1 2.39605 . . . . . . . A 246 PRO HB2 . 36548 1 211 . 1 . 1 25 25 PRO HB3 H 1 2.07268 . . . . . . . A 246 PRO HB3 . 36548 1 212 . 1 . 1 25 25 PRO HG2 H 1 2.08267 . . . . . . . A 246 PRO HG2 . 36548 1 213 . 1 . 1 25 25 PRO HG3 H 1 2.01328 . . . . . . . A 246 PRO HG3 . 36548 1 214 . 1 . 1 25 25 PRO HD2 H 1 3.73035 . . . . . . . A 246 PRO HD2 . 36548 1 215 . 1 . 1 25 25 PRO HD3 H 1 3.62412 . . . . . . . A 246 PRO HD3 . 36548 1 216 . 1 . 1 25 25 PRO CA C 13 63.01302 . . 1 . . . . A 246 PRO CA . 36548 1 217 . 1 . 1 25 25 PRO CB C 13 32.80739 . . 1 . . . . A 246 PRO CB . 36548 1 218 . 1 . 1 25 25 PRO CG C 13 27.19618 . . 1 . . . . A 246 PRO CG . 36548 1 219 . 1 . 1 25 25 PRO CD C 13 50.84119 . . 1 . . . . A 246 PRO CD . 36548 1 220 . 1 . 1 26 26 ASP H H 1 9.12085 . . 1 . . . . A 247 ASP H . 36548 1 221 . 1 . 1 26 26 ASP HA H 1 4.68202 . . 1 . . . . A 247 ASP HA . 36548 1 222 . 1 . 1 26 26 ASP HB2 H 1 3.36725 . . . . . . . A 247 ASP HB2 . 36548 1 223 . 1 . 1 26 26 ASP HB3 H 1 2.75861 . . . . . . . A 247 ASP HB3 . 36548 1 224 . 1 . 1 26 26 ASP CA C 13 53.43275 . . 1 . . . . A 247 ASP CA . 36548 1 225 . 1 . 1 26 26 ASP CB C 13 41.42692 . . 1 . . . . A 247 ASP CB . 36548 1 226 . 1 . 1 26 26 ASP N N 15 123.46498 . . 1 . . . . A 247 ASP N . 36548 1 227 . 1 . 1 27 27 GLU H H 1 9.06201 . . 1 . . . . A 248 GLU H . 36548 1 228 . 1 . 1 27 27 GLU HA H 1 4.02621 . . 1 . . . . A 248 GLU HA . 36548 1 229 . 1 . 1 27 27 GLU HB2 H 1 1.58041 . . . . . . . A 248 GLU HB2 . 36548 1 230 . 1 . 1 27 27 GLU HB3 H 1 1.51381 . . . . . . . A 248 GLU HB3 . 36548 1 231 . 1 . 1 27 27 GLU HG2 H 1 1.91428 . . . . . . . A 248 GLU HG2 . 36548 1 232 . 1 . 1 27 27 GLU HG3 H 1 1.76012 . . . . . . . A 248 GLU HG3 . 36548 1 233 . 1 . 1 27 27 GLU CA C 13 58.19080 . . 1 . . . . A 248 GLU CA . 36548 1 234 . 1 . 1 27 27 GLU CB C 13 28.74806 . . 1 . . . . A 248 GLU CB . 36548 1 235 . 1 . 1 27 27 GLU CG C 13 36.17990 . . 1 . . . . A 248 GLU CG . 36548 1 236 . 1 . 1 27 27 GLU N N 15 116.63514 . . 1 . . . . A 248 GLU N . 36548 1 237 . 1 . 1 28 28 TYR H H 1 8.44649 . . 1 . . . . A 249 TYR H . 36548 1 238 . 1 . 1 28 28 TYR HA H 1 4.71576 . . 1 . . . . A 249 TYR HA . 36548 1 239 . 1 . 1 28 28 TYR HB2 H 1 2.82928 . . . . . . . A 249 TYR HB2 . 36548 1 240 . 1 . 1 28 28 TYR HB3 H 1 2.50636 . . . . . . . A 249 TYR HB3 . 36548 1 241 . 1 . 1 28 28 TYR HD1 H 1 7.00321 . . . . . . . A 249 TYR HD1 . 36548 1 242 . 1 . 1 28 28 TYR HD2 H 1 7.00321 . . . . . . . A 249 TYR HD2 . 36548 1 243 . 1 . 1 28 28 TYR HE1 H 1 6.45559 . . . . . . . A 249 TYR HE1 . 36548 1 244 . 1 . 1 28 28 TYR HE2 H 1 6.45559 . . . . . . . A 249 TYR HE2 . 36548 1 245 . 1 . 1 28 28 TYR CA C 13 56.83824 . . 1 . . . . A 249 TYR CA . 36548 1 246 . 1 . 1 28 28 TYR CB C 13 40.63036 . . 1 . . . . A 249 TYR CB . 36548 1 247 . 1 . 1 28 28 TYR CD1 C 13 132.24809 . . . . . . . A 249 TYR CD1 . 36548 1 248 . 1 . 1 28 28 TYR CD2 C 13 132.24809 . . . . . . . A 249 TYR CD2 . 36548 1 249 . 1 . 1 28 28 TYR N N 15 119.72663 . . 1 . . . . A 249 TYR N . 36548 1 250 . 1 . 1 29 29 SER H H 1 7.68291 . . 1 . . . . A 250 SER H . 36548 1 251 . 1 . 1 29 29 SER HA H 1 4.91628 . . 1 . . . . A 250 SER HA . 36548 1 252 . 1 . 1 29 29 SER HB2 H 1 3.68198 . . . . . . . A 250 SER HB2 . 36548 1 253 . 1 . 1 29 29 SER HB3 H 1 3.51890 . . . . . . . A 250 SER HB3 . 36548 1 254 . 1 . 1 29 29 SER CA C 13 57.36517 . . 1 . . . . A 250 SER CA . 36548 1 255 . 1 . 1 29 29 SER CB C 13 64.85820 . . 1 . . . . A 250 SER CB . 36548 1 256 . 1 . 1 29 29 SER N N 15 114.51149 . . 1 . . . . A 250 SER N . 36548 1 257 . 1 . 1 30 30 TRP H H 1 8.61095 . . 1 . . . . A 251 TRP H . 36548 1 258 . 1 . 1 30 30 TRP HA H 1 5.38866 . . 1 . . . . A 251 TRP HA . 36548 1 259 . 1 . 1 30 30 TRP HB2 H 1 3.38559 . . . . . . . A 251 TRP HB2 . 36548 1 260 . 1 . 1 30 30 TRP HB3 H 1 2.88092 . . . . . . . A 251 TRP HB3 . 36548 1 261 . 1 . 1 30 30 TRP HZ3 H 1 7.17850 . . 1 . . . . A 251 TRP HZ3 . 36548 1 262 . 1 . 1 30 30 TRP CA C 13 56.17468 . . 1 . . . . A 251 TRP CA . 36548 1 263 . 1 . 1 30 30 TRP CB C 13 34.09580 . . 1 . . . . A 251 TRP CB . 36548 1 264 . 1 . 1 30 30 TRP N N 15 121.25402 . . 1 . . . . A 251 TRP N . 36548 1 265 . 1 . 1 31 31 ARG H H 1 9.56422 . . 1 . . . . A 252 ARG H . 36548 1 266 . 1 . 1 31 31 ARG HA H 1 5.02327 . . 1 . . . . A 252 ARG HA . 36548 1 267 . 1 . 1 31 31 ARG HB2 H 1 1.95319 . . . . . . . A 252 ARG HB2 . 36548 1 268 . 1 . 1 31 31 ARG HB3 H 1 1.87697 . . . . . . . A 252 ARG HB3 . 36548 1 269 . 1 . 1 31 31 ARG HG2 H 1 1.78963 . . . . . . . A 252 ARG HG2 . 36548 1 270 . 1 . 1 31 31 ARG HG3 H 1 1.74150 . . . . . . . A 252 ARG HG3 . 36548 1 271 . 1 . 1 31 31 ARG HD2 H 1 3.38780 . . . . . . . A 252 ARG HD2 . 36548 1 272 . 1 . 1 31 31 ARG HD3 H 1 3.33459 . . . . . . . A 252 ARG HD3 . 36548 1 273 . 1 . 1 31 31 ARG CA C 13 54.23095 . . 1 . . . . A 252 ARG CA . 36548 1 274 . 1 . 1 31 31 ARG CB C 13 33.99129 . . 1 . . . . A 252 ARG CB . 36548 1 275 . 1 . 1 31 31 ARG CG C 13 27.32637 . . 1 . . . . A 252 ARG CG . 36548 1 276 . 1 . 1 31 31 ARG CD C 13 43.57341 . . 1 . . . . A 252 ARG CD . 36548 1 277 . 1 . 1 31 31 ARG N N 15 121.13457 . . 1 . . . . A 252 ARG N . 36548 1 278 . 1 . 1 32 32 LYS H H 1 9.24899 . . 1 . . . . A 253 LYS H . 36548 1 279 . 1 . 1 32 32 LYS HA H 1 4.13175 . . 1 . . . . A 253 LYS HA . 36548 1 280 . 1 . 1 32 32 LYS HB2 H 1 1.79698 . . . . . . . A 253 LYS HB2 . 36548 1 281 . 1 . 1 32 32 LYS HB3 H 1 1.61100 . . . . . . . A 253 LYS HB3 . 36548 1 282 . 1 . 1 32 32 LYS CA C 13 57.03904 . . 1 . . . . A 253 LYS CA . 36548 1 283 . 1 . 1 32 32 LYS CB C 13 33.25376 . . 1 . . . . A 253 LYS CB . 36548 1 284 . 1 . 1 32 32 LYS CG C 13 25.38198 . . 1 . . . . A 253 LYS CG . 36548 1 285 . 1 . 1 32 32 LYS CD C 13 29.84598 . . 1 . . . . A 253 LYS CD . 36548 1 286 . 1 . 1 32 32 LYS N N 15 129.41409 . . 1 . . . . A 253 LYS N . 36548 1 287 . 1 . 1 33 33 TYR H H 1 8.95697 . . 1 . . . . A 254 TYR H . 36548 1 288 . 1 . 1 33 33 TYR HA H 1 5.02997 . . 1 . . . . A 254 TYR HA . 36548 1 289 . 1 . 1 33 33 TYR HB2 H 1 3.23128 . . . . . . . A 254 TYR HB2 . 36548 1 290 . 1 . 1 33 33 TYR HB3 H 1 2.66242 . . . . . . . A 254 TYR HB3 . 36548 1 291 . 1 . 1 33 33 TYR HD1 H 1 7.06578 . . . . . . . A 254 TYR HD1 . 36548 1 292 . 1 . 1 33 33 TYR HD2 H 1 7.06578 . . . . . . . A 254 TYR HD2 . 36548 1 293 . 1 . 1 33 33 TYR HE1 H 1 6.69644 . . . . . . . A 254 TYR HE1 . 36548 1 294 . 1 . 1 33 33 TYR HE2 H 1 6.69644 . . . . . . . A 254 TYR HE2 . 36548 1 295 . 1 . 1 33 33 TYR CA C 13 56.71331 . . 1 . . . . A 254 TYR CA . 36548 1 296 . 1 . 1 33 33 TYR CB C 13 40.29903 . . 1 . . . . A 254 TYR CB . 36548 1 297 . 1 . 1 33 33 TYR CD1 C 13 134.04451 . . . . . . . A 254 TYR CD1 . 36548 1 298 . 1 . 1 33 33 TYR CD2 C 13 134.04451 . . . . . . . A 254 TYR CD2 . 36548 1 299 . 1 . 1 33 33 TYR CE1 C 13 118.41954 . . . . . . . A 254 TYR CE1 . 36548 1 300 . 1 . 1 33 33 TYR CE2 C 13 118.41954 . . . . . . . A 254 TYR CE2 . 36548 1 301 . 1 . 1 33 33 TYR N N 15 123.95078 . . 1 . . . . A 254 TYR N . 36548 1 302 . 1 . 1 34 34 GLY H H 1 7.46200 . . 1 . . . . A 255 GLY H . 36548 1 303 . 1 . 1 34 34 GLY HA2 H 1 4.16931 . . . . . . . A 255 GLY HA2 . 36548 1 304 . 1 . 1 34 34 GLY HA3 H 1 3.81657 . . . . . . . A 255 GLY HA3 . 36548 1 305 . 1 . 1 34 34 GLY CA C 13 45.37130 . . 1 . . . . A 255 GLY CA . 36548 1 306 . 1 . 1 34 34 GLY N N 15 109.24052 . . 1 . . . . A 255 GLY N . 36548 1 307 . 1 . 1 35 35 GLN H H 1 8.29161 . . 1 . . . . A 256 GLN H . 36548 1 308 . 1 . 1 35 35 GLN HA H 1 5.32255 . . 1 . . . . A 256 GLN HA . 36548 1 309 . 1 . 1 35 35 GLN HB2 H 1 2.03516 . . . . . . . A 256 GLN HB2 . 36548 1 310 . 1 . 1 35 35 GLN HB3 H 1 1.89502 . . . . . . . A 256 GLN HB3 . 36548 1 311 . 1 . 1 35 35 GLN HG3 H 1 1.99429 . . . . . . . A 256 GLN HG3 . 36548 1 312 . 1 . 1 35 35 GLN CA C 13 55.15641 . . 1 . . . . A 256 GLN CA . 36548 1 313 . 1 . 1 35 35 GLN CB C 13 31.97038 . . 1 . . . . A 256 GLN CB . 36548 1 314 . 1 . 1 35 35 GLN CG C 13 33.16605 . . 1 . . . . A 256 GLN CG . 36548 1 315 . 1 . 1 35 35 GLN N N 15 117.82886 . . 1 . . . . A 256 GLN N . 36548 1 316 . 1 . 1 36 36 LYS H H 1 8.82482 . . 1 . . . . A 257 LYS H . 36548 1 317 . 1 . 1 36 36 LYS HA H 1 4.93858 . . 1 . . . . A 257 LYS HA . 36548 1 318 . 1 . 1 36 36 LYS HB2 H 1 1.93718 . . . . . . . A 257 LYS HB2 . 36548 1 319 . 1 . 1 36 36 LYS HB3 H 1 1.79971 . . . . . . . A 257 LYS HB3 . 36548 1 320 . 1 . 1 36 36 LYS CA C 13 53.85984 . . 1 . . . . A 257 LYS CA . 36548 1 321 . 1 . 1 36 36 LYS CB C 13 35.74697 . . 1 . . . . A 257 LYS CB . 36548 1 322 . 1 . 1 36 36 LYS N N 15 122.92531 . . 1 . . . . A 257 LYS N . 36548 1 323 . 1 . 1 37 37 PRO HA H 1 4.46470 . . 1 . . . . A 258 PRO HA . 36548 1 324 . 1 . 1 37 37 PRO HB3 H 1 2.29595 . . . . . . . A 258 PRO HB3 . 36548 1 325 . 1 . 1 37 37 PRO CA C 13 62.77390 . . 1 . . . . A 258 PRO CA . 36548 1 326 . 1 . 1 37 37 PRO CB C 13 32.40280 . . 1 . . . . A 258 PRO CB . 36548 1 327 . 1 . 1 37 37 PRO CG C 13 27.20102 . . 1 . . . . A 258 PRO CG . 36548 1 328 . 1 . 1 37 37 PRO CD C 13 50.82831 . . 1 . . . . A 258 PRO CD . 36548 1 329 . 1 . 1 38 38 ILE H H 1 8.93885 . . 1 . . . . A 259 ILE H . 36548 1 330 . 1 . 1 38 38 ILE HA H 1 4.25545 . . 1 . . . . A 259 ILE HA . 36548 1 331 . 1 . 1 38 38 ILE HB H 1 1.83800 . . 1 . . . . A 259 ILE HB . 36548 1 332 . 1 . 1 38 38 ILE HG13 H 1 1.15696 . . . . . . . A 259 ILE HG13 . 36548 1 333 . 1 . 1 38 38 ILE HG21 H 1 0.89746 . . 1 . . . . A 259 ILE HG21 . 36548 1 334 . 1 . 1 38 38 ILE HG22 H 1 0.89746 . . 1 . . . . A 259 ILE HG22 . 36548 1 335 . 1 . 1 38 38 ILE HG23 H 1 0.89746 . . 1 . . . . A 259 ILE HG23 . 36548 1 336 . 1 . 1 38 38 ILE HD11 H 1 0.84626 . . 1 . . . . A 259 ILE HD11 . 36548 1 337 . 1 . 1 38 38 ILE HD12 H 1 0.84626 . . 1 . . . . A 259 ILE HD12 . 36548 1 338 . 1 . 1 38 38 ILE HD13 H 1 0.84626 . . 1 . . . . A 259 ILE HD13 . 36548 1 339 . 1 . 1 38 38 ILE CA C 13 59.57935 . . 1 . . . . A 259 ILE CA . 36548 1 340 . 1 . 1 38 38 ILE CB C 13 40.01489 . . 1 . . . . A 259 ILE CB . 36548 1 341 . 1 . 1 38 38 ILE CG1 C 13 26.91305 . . 1 . . . . A 259 ILE CG1 . 36548 1 342 . 1 . 1 38 38 ILE CG2 C 13 17.44912 . . 1 . . . . A 259 ILE CG2 . 36548 1 343 . 1 . 1 38 38 ILE CD1 C 13 13.20432 . . 1 . . . . A 259 ILE CD1 . 36548 1 344 . 1 . 1 38 38 ILE N N 15 122.62949 . . 1 . . . . A 259 ILE N . 36548 1 345 . 1 . 1 39 39 LYS H H 1 8.50970 . . 1 . . . . A 260 LYS H . 36548 1 346 . 1 . 1 39 39 LYS HA H 1 4.08297 . . 1 . . . . A 260 LYS HA . 36548 1 347 . 1 . 1 39 39 LYS HB2 H 1 1.80698 . . . . . . . A 260 LYS HB2 . 36548 1 348 . 1 . 1 39 39 LYS HB3 H 1 1.77160 . . . . . . . A 260 LYS HB3 . 36548 1 349 . 1 . 1 39 39 LYS CA C 13 58.12303 . . 1 . . . . A 260 LYS CA . 36548 1 350 . 1 . 1 39 39 LYS CB C 13 32.07551 . . 1 . . . . A 260 LYS CB . 36548 1 351 . 1 . 1 39 39 LYS CG C 13 24.64250 . . 1 . . . . A 260 LYS CG . 36548 1 352 . 1 . 1 39 39 LYS CD C 13 29.22182 . . 1 . . . . A 260 LYS CD . 36548 1 353 . 1 . 1 39 39 LYS CE C 13 41.93537 . . 1 . . . . A 260 LYS CE . 36548 1 354 . 1 . 1 39 39 LYS N N 15 127.51870 . . 1 . . . . A 260 LYS N . 36548 1 355 . 1 . 1 40 40 GLY H H 1 8.80570 . . 1 . . . . A 261 GLY H . 36548 1 356 . 1 . 1 40 40 GLY HA2 H 1 4.17372 . . . . . . . A 261 GLY HA2 . 36548 1 357 . 1 . 1 40 40 GLY HA3 H 1 3.73738 . . . . . . . A 261 GLY HA3 . 36548 1 358 . 1 . 1 40 40 GLY CA C 13 45.26156 . . 1 . . . . A 261 GLY CA . 36548 1 359 . 1 . 1 40 40 GLY N N 15 112.89586 . . 1 . . . . A 261 GLY N . 36548 1 360 . 1 . 1 41 41 SER H H 1 7.85313 . . 1 . . . . A 262 SER H . 36548 1 361 . 1 . 1 41 41 SER HA H 1 5.08532 . . 1 . . . . A 262 SER HA . 36548 1 362 . 1 . 1 41 41 SER HB2 H 1 3.84801 . . . . . . . A 262 SER HB2 . 36548 1 363 . 1 . 1 41 41 SER HB3 H 1 3.75000 . . . . . . . A 262 SER HB3 . 36548 1 364 . 1 . 1 41 41 SER CA C 13 54.04184 . . 1 . . . . A 262 SER CA . 36548 1 365 . 1 . 1 41 41 SER CB C 13 65.07357 . . 1 . . . . A 262 SER CB . 36548 1 366 . 1 . 1 41 41 SER N N 15 114.29554 . . 1 . . . . A 262 SER N . 36548 1 367 . 1 . 1 42 42 PRO HA H 1 4.54169 . . 1 . . . . A 263 PRO HA . 36548 1 368 . 1 . 1 42 42 PRO HB2 H 1 2.07322 . . . . . . . A 263 PRO HB2 . 36548 1 369 . 1 . 1 42 42 PRO HB3 H 1 1.61373 . . . . . . . A 263 PRO HB3 . 36548 1 370 . 1 . 1 42 42 PRO HG2 H 1 1.88475 . . . . . . . A 263 PRO HG2 . 36548 1 371 . 1 . 1 42 42 PRO HG3 H 1 1.28020 . . . . . . . A 263 PRO HG3 . 36548 1 372 . 1 . 1 42 42 PRO HD2 H 1 3.76806 . . . . . . . A 263 PRO HD2 . 36548 1 373 . 1 . 1 42 42 PRO HD3 H 1 3.74721 . . . . . . . A 263 PRO HD3 . 36548 1 374 . 1 . 1 42 42 PRO CA C 13 63.04971 . . 1 . . . . A 263 PRO CA . 36548 1 375 . 1 . 1 42 42 PRO CB C 13 31.75439 . . 1 . . . . A 263 PRO CB . 36548 1 376 . 1 . 1 42 42 PRO CG C 13 26.09276 . . 1 . . . . A 263 PRO CG . 36548 1 377 . 1 . 1 42 42 PRO CD C 13 50.73201 . . 1 . . . . A 263 PRO CD . 36548 1 378 . 1 . 1 43 43 HIS H H 1 7.99764 . . 1 . . . . A 264 HIS H . 36548 1 379 . 1 . 1 43 43 HIS HA H 1 5.10130 . . 1 . . . . A 264 HIS HA . 36548 1 380 . 1 . 1 43 43 HIS HB2 H 1 3.19795 . . . . . . . A 264 HIS HB2 . 36548 1 381 . 1 . 1 43 43 HIS HB3 H 1 3.01985 . . . . . . . A 264 HIS HB3 . 36548 1 382 . 1 . 1 43 43 HIS CA C 13 53.41745 . . 1 . . . . A 264 HIS CA . 36548 1 383 . 1 . 1 43 43 HIS CB C 13 31.00658 . . 1 . . . . A 264 HIS CB . 36548 1 384 . 1 . 1 43 43 HIS N N 15 120.36468 . . 1 . . . . A 264 HIS N . 36548 1 385 . 1 . 1 44 44 PRO HA H 1 4.58573 . . 1 . . . . A 265 PRO HA . 36548 1 386 . 1 . 1 44 44 PRO HB3 H 1 1.71982 . . . . . . . A 265 PRO HB3 . 36548 1 387 . 1 . 1 44 44 PRO HG3 H 1 2.06243 . . . . . . . A 265 PRO HG3 . 36548 1 388 . 1 . 1 44 44 PRO HD3 H 1 3.89939 . . . . . . . A 265 PRO HD3 . 36548 1 389 . 1 . 1 44 44 PRO CA C 13 62.77406 . . 1 . . . . A 265 PRO CA . 36548 1 390 . 1 . 1 44 44 PRO CB C 13 32.65938 . . 1 . . . . A 265 PRO CB . 36548 1 391 . 1 . 1 44 44 PRO CG C 13 26.82241 . . 1 . . . . A 265 PRO CG . 36548 1 392 . 1 . 1 44 44 PRO CD C 13 50.63185 . . 1 . . . . A 265 PRO CD . 36548 1 393 . 1 . 1 45 45 ARG H H 1 8.74770 . . 1 . . . . A 266 ARG H . 36548 1 394 . 1 . 1 45 45 ARG HA H 1 4.79055 . . 1 . . . . A 266 ARG HA . 36548 1 395 . 1 . 1 45 45 ARG HB3 H 1 1.87504 . . . . . . . A 266 ARG HB3 . 36548 1 396 . 1 . 1 45 45 ARG HG2 H 1 1.33537 . . . . . . . A 266 ARG HG2 . 36548 1 397 . 1 . 1 45 45 ARG HG3 H 1 0.94987 . . . . . . . A 266 ARG HG3 . 36548 1 398 . 1 . 1 45 45 ARG HD2 H 1 2.79696 . . . . . . . A 266 ARG HD2 . 36548 1 399 . 1 . 1 45 45 ARG HD3 H 1 2.40032 . . . . . . . A 266 ARG HD3 . 36548 1 400 . 1 . 1 45 45 ARG CA C 13 55.32514 . . 1 . . . . A 266 ARG CA . 36548 1 401 . 1 . 1 45 45 ARG CB C 13 32.63650 . . 1 . . . . A 266 ARG CB . 36548 1 402 . 1 . 1 45 45 ARG CG C 13 27.35574 . . 1 . . . . A 266 ARG CG . 36548 1 403 . 1 . 1 45 45 ARG CD C 13 43.59683 . . 1 . . . . A 266 ARG CD . 36548 1 404 . 1 . 1 45 45 ARG N N 15 122.07179 . . 1 . . . . A 266 ARG N . 36548 1 405 . 1 . 1 46 46 GLY H H 1 8.94416 . . 1 . . . . A 267 GLY H . 36548 1 406 . 1 . 1 46 46 GLY HA2 H 1 4.55829 . . . . . . . A 267 GLY HA2 . 36548 1 407 . 1 . 1 46 46 GLY HA3 H 1 3.78497 . . . . . . . A 267 GLY HA3 . 36548 1 408 . 1 . 1 46 46 GLY CA C 13 44.76951 . . 1 . . . . A 267 GLY CA . 36548 1 409 . 1 . 1 46 46 GLY N N 15 113.06542 . . 1 . . . . A 267 GLY N . 36548 1 410 . 1 . 1 47 47 TYR H H 1 8.26173 . . 1 . . . . A 268 TYR H . 36548 1 411 . 1 . 1 47 47 TYR HA H 1 4.79082 . . 1 . . . . A 268 TYR HA . 36548 1 412 . 1 . 1 47 47 TYR HB2 H 1 2.47576 . . . . . . . A 268 TYR HB2 . 36548 1 413 . 1 . 1 47 47 TYR HB3 H 1 1.91412 . . . . . . . A 268 TYR HB3 . 36548 1 414 . 1 . 1 47 47 TYR HD1 H 1 6.92873 . . . . . . . A 268 TYR HD1 . 36548 1 415 . 1 . 1 47 47 TYR HD2 H 1 6.92873 . . . . . . . A 268 TYR HD2 . 36548 1 416 . 1 . 1 47 47 TYR HE1 H 1 6.48947 . . . . . . . A 268 TYR HE1 . 36548 1 417 . 1 . 1 47 47 TYR HE2 H 1 6.48947 . . . . . . . A 268 TYR HE2 . 36548 1 418 . 1 . 1 47 47 TYR CA C 13 58.01382 . . 1 . . . . A 268 TYR CA . 36548 1 419 . 1 . 1 47 47 TYR CB C 13 38.97242 . . 1 . . . . A 268 TYR CB . 36548 1 420 . 1 . 1 47 47 TYR CD1 C 13 132.07887 . . . . . . . A 268 TYR CD1 . 36548 1 421 . 1 . 1 47 47 TYR CD2 C 13 132.07887 . . . . . . . A 268 TYR CD2 . 36548 1 422 . 1 . 1 47 47 TYR CE1 C 13 118.44371 . . . . . . . A 268 TYR CE1 . 36548 1 423 . 1 . 1 47 47 TYR CE2 C 13 118.44371 . . . . . . . A 268 TYR CE2 . 36548 1 424 . 1 . 1 47 47 TYR N N 15 122.06955 . . 1 . . . . A 268 TYR N . 36548 1 425 . 1 . 1 48 48 TYR H H 1 9.32719 . . 1 . . . . A 269 TYR H . 36548 1 426 . 1 . 1 48 48 TYR HA H 1 5.52195 . . 1 . . . . A 269 TYR HA . 36548 1 427 . 1 . 1 48 48 TYR HB2 H 1 2.99129 . . . . . . . A 269 TYR HB2 . 36548 1 428 . 1 . 1 48 48 TYR HB3 H 1 2.73526 . . . . . . . A 269 TYR HB3 . 36548 1 429 . 1 . 1 48 48 TYR HD1 H 1 6.77320 . . . . . . . A 269 TYR HD1 . 36548 1 430 . 1 . 1 48 48 TYR HD2 H 1 6.77320 . . . . . . . A 269 TYR HD2 . 36548 1 431 . 1 . 1 48 48 TYR HE1 H 1 6.70601 . . . . . . . A 269 TYR HE1 . 36548 1 432 . 1 . 1 48 48 TYR HE2 H 1 6.70601 . . . . . . . A 269 TYR HE2 . 36548 1 433 . 1 . 1 48 48 TYR CA C 13 57.21765 . . 1 . . . . A 269 TYR CA . 36548 1 434 . 1 . 1 48 48 TYR CB C 13 42.23241 . . 1 . . . . A 269 TYR CB . 36548 1 435 . 1 . 1 48 48 TYR N N 15 120.08163 . . 1 . . . . A 269 TYR N . 36548 1 436 . 1 . 1 49 49 LYS H H 1 9.70321 . . 1 . . . . A 270 LYS H . 36548 1 437 . 1 . 1 49 49 LYS HA H 1 5.60932 . . 1 . . . . A 270 LYS HA . 36548 1 438 . 1 . 1 49 49 LYS HB2 H 1 2.14752 . . . . . . . A 270 LYS HB2 . 36548 1 439 . 1 . 1 49 49 LYS HB3 H 1 1.87693 . . . . . . . A 270 LYS HB3 . 36548 1 440 . 1 . 1 49 49 LYS HG2 H 1 1.66568 . . . . . . . A 270 LYS HG2 . 36548 1 441 . 1 . 1 49 49 LYS HG3 H 1 1.50341 . . . . . . . A 270 LYS HG3 . 36548 1 442 . 1 . 1 49 49 LYS HD3 H 1 1.70067 . . . . . . . A 270 LYS HD3 . 36548 1 443 . 1 . 1 49 49 LYS CA C 13 54.18306 . . 1 . . . . A 270 LYS CA . 36548 1 444 . 1 . 1 49 49 LYS CB C 13 35.69225 . . 1 . . . . A 270 LYS CB . 36548 1 445 . 1 . 1 49 49 LYS CG C 13 23.92362 . . 1 . . . . A 270 LYS CG . 36548 1 446 . 1 . 1 49 49 LYS CD C 13 29.14076 . . 1 . . . . A 270 LYS CD . 36548 1 447 . 1 . 1 49 49 LYS N N 15 120.71351 . . 1 . . . . A 270 LYS N . 36548 1 448 . 1 . 1 50 50 CYS H H 1 7.87793 . . 1 . . . . A 271 CYS H . 36548 1 449 . 1 . 1 50 50 CYS HA H 1 3.86059 . . 1 . . . . A 271 CYS HA . 36548 1 450 . 1 . 1 50 50 CYS HB2 H 1 2.83023 . . . . . . . A 271 CYS HB2 . 36548 1 451 . 1 . 1 50 50 CYS HB3 H 1 2.39249 . . . . . . . A 271 CYS HB3 . 36548 1 452 . 1 . 1 50 50 CYS CA C 13 60.97058 . . 1 . . . . A 271 CYS CA . 36548 1 453 . 1 . 1 50 50 CYS CB C 13 30.70351 . . 1 . . . . A 271 CYS CB . 36548 1 454 . 1 . 1 50 50 CYS N N 15 127.37397 . . 1 . . . . A 271 CYS N . 36548 1 455 . 1 . 1 51 51 SER H H 1 9.35713 . . 1 . . . . A 272 SER H . 36548 1 456 . 1 . 1 51 51 SER HA H 1 4.67426 . . 1 . . . . A 272 SER HA . 36548 1 457 . 1 . 1 51 51 SER HB2 H 1 4.06355 . . . . . . . A 272 SER HB2 . 36548 1 458 . 1 . 1 51 51 SER HB3 H 1 3.47716 . . . . . . . A 272 SER HB3 . 36548 1 459 . 1 . 1 51 51 SER CA C 13 56.98909 . . 1 . . . . A 272 SER CA . 36548 1 460 . 1 . 1 51 51 SER CB C 13 64.27040 . . 1 . . . . A 272 SER CB . 36548 1 461 . 1 . 1 51 51 SER N N 15 123.52275 . . 1 . . . . A 272 SER N . 36548 1 462 . 1 . 1 52 52 THR H H 1 9.25061 . . 1 . . . . A 273 THR H . 36548 1 463 . 1 . 1 52 52 THR HA H 1 3.84091 . . 1 . . . . A 273 THR HA . 36548 1 464 . 1 . 1 52 52 THR HB H 1 3.63750 . . 1 . . . . A 273 THR HB . 36548 1 465 . 1 . 1 52 52 THR HG21 H 1 1.14090 . . 1 . . . . A 273 THR HG21 . 36548 1 466 . 1 . 1 52 52 THR HG22 H 1 1.14090 . . 1 . . . . A 273 THR HG22 . 36548 1 467 . 1 . 1 52 52 THR HG23 H 1 1.14090 . . 1 . . . . A 273 THR HG23 . 36548 1 468 . 1 . 1 52 52 THR CA C 13 67.04794 . . 1 . . . . A 273 THR CA . 36548 1 469 . 1 . 1 52 52 THR CB C 13 69.30391 . . 1 . . . . A 273 THR CB . 36548 1 470 . 1 . 1 52 52 THR CG2 C 13 22.00592 . . 1 . . . . A 273 THR CG2 . 36548 1 471 . 1 . 1 52 52 THR N N 15 125.84252 . . 1 . . . . A 273 THR N . 36548 1 472 . 1 . 1 53 53 PHE H H 1 6.73499 . . 1 . . . . A 274 PHE H . 36548 1 473 . 1 . 1 53 53 PHE HA H 1 4.42332 . . 1 . . . . A 274 PHE HA . 36548 1 474 . 1 . 1 53 53 PHE HB2 H 1 2.65306 . . . . . . . A 274 PHE HB2 . 36548 1 475 . 1 . 1 53 53 PHE HB3 H 1 2.25751 . . . . . . . A 274 PHE HB3 . 36548 1 476 . 1 . 1 53 53 PHE HD1 H 1 7.07030 . . . . . . . A 274 PHE HD1 . 36548 1 477 . 1 . 1 53 53 PHE HD2 H 1 7.07030 . . . . . . . A 274 PHE HD2 . 36548 1 478 . 1 . 1 53 53 PHE HE1 H 1 6.74681 . . . . . . . A 274 PHE HE1 . 36548 1 479 . 1 . 1 53 53 PHE HE2 H 1 6.74681 . . . . . . . A 274 PHE HE2 . 36548 1 480 . 1 . 1 53 53 PHE CA C 13 56.82205 . . 1 . . . . A 274 PHE CA . 36548 1 481 . 1 . 1 53 53 PHE CB C 13 43.73416 . . 1 . . . . A 274 PHE CB . 36548 1 482 . 1 . 1 53 53 PHE CD1 C 13 133.93481 . . . . . . . A 274 PHE CD1 . 36548 1 483 . 1 . 1 53 53 PHE CD2 C 13 133.93481 . . . . . . . A 274 PHE CD2 . 36548 1 484 . 1 . 1 53 53 PHE N N 15 117.98911 . . 1 . . . . A 274 PHE N . 36548 1 485 . 1 . 1 54 54 ARG H H 1 8.13841 . . 1 . . . . A 275 ARG H . 36548 1 486 . 1 . 1 54 54 ARG HA H 1 4.00330 . . 1 . . . . A 275 ARG HA . 36548 1 487 . 1 . 1 54 54 ARG HB2 H 1 1.61812 . . . . . . . A 275 ARG HB2 . 36548 1 488 . 1 . 1 54 54 ARG HB3 H 1 1.57083 . . . . . . . A 275 ARG HB3 . 36548 1 489 . 1 . 1 54 54 ARG HG3 H 1 1.56467 . . . . . . . A 275 ARG HG3 . 36548 1 490 . 1 . 1 54 54 ARG HD3 H 1 3.09780 . . . . . . . A 275 ARG HD3 . 36548 1 491 . 1 . 1 54 54 ARG CA C 13 58.03080 . . 1 . . . . A 275 ARG CA . 36548 1 492 . 1 . 1 54 54 ARG CB C 13 29.47901 . . 1 . . . . A 275 ARG CB . 36548 1 493 . 1 . 1 54 54 ARG CG C 13 26.80350 . . 1 . . . . A 275 ARG CG . 36548 1 494 . 1 . 1 54 54 ARG CD C 13 43.15679 . . 1 . . . . A 275 ARG CD . 36548 1 495 . 1 . 1 54 54 ARG N N 15 127.43756 . . 1 . . . . A 275 ARG N . 36548 1 496 . 1 . 1 55 55 GLY H H 1 8.58758 . . 1 . . . . A 276 GLY H . 36548 1 497 . 1 . 1 55 55 GLY HA2 H 1 4.13976 . . . . . . . A 276 GLY HA2 . 36548 1 498 . 1 . 1 55 55 GLY HA3 H 1 3.75027 . . . . . . . A 276 GLY HA3 . 36548 1 499 . 1 . 1 55 55 GLY CA C 13 45.06929 . . 1 . . . . A 276 GLY CA . 36548 1 500 . 1 . 1 55 55 GLY N N 15 112.87778 . . 1 . . . . A 276 GLY N . 36548 1 501 . 1 . 1 56 56 CYS H H 1 7.94387 . . 1 . . . . A 277 CYS H . 36548 1 502 . 1 . 1 56 56 CYS HA H 1 4.90383 . . 1 . . . . A 277 CYS HA . 36548 1 503 . 1 . 1 56 56 CYS HB2 H 1 3.36267 . . . . . . . A 277 CYS HB2 . 36548 1 504 . 1 . 1 56 56 CYS HB3 H 1 3.09752 . . . . . . . A 277 CYS HB3 . 36548 1 505 . 1 . 1 56 56 CYS CA C 13 57.79567 . . 1 . . . . A 277 CYS CA . 36548 1 506 . 1 . 1 56 56 CYS CB C 13 30.95563 . . 1 . . . . A 277 CYS CB . 36548 1 507 . 1 . 1 56 56 CYS N N 15 125.33777 . . 1 . . . . A 277 CYS N . 36548 1 508 . 1 . 1 57 57 PRO HA H 1 4.68592 . . 1 . . . . A 278 PRO HA . 36548 1 509 . 1 . 1 57 57 PRO HB3 H 1 1.78680 . . . . . . . A 278 PRO HB3 . 36548 1 510 . 1 . 1 57 57 PRO HG3 H 1 2.30978 . . . . . . . A 278 PRO HG3 . 36548 1 511 . 1 . 1 57 57 PRO HD2 H 1 4.34802 . . . . . . . A 278 PRO HD2 . 36548 1 512 . 1 . 1 57 57 PRO HD3 H 1 4.14048 . . . . . . . A 278 PRO HD3 . 36548 1 513 . 1 . 1 57 57 PRO CA C 13 63.94432 . . 1 . . . . A 278 PRO CA . 36548 1 514 . 1 . 1 57 57 PRO CB C 13 32.36709 . . 1 . . . . A 278 PRO CB . 36548 1 515 . 1 . 1 57 57 PRO CG C 13 26.37657 . . 1 . . . . A 278 PRO CG . 36548 1 516 . 1 . 1 57 57 PRO CD C 13 52.50390 . . 1 . . . . A 278 PRO CD . 36548 1 517 . 1 . 1 58 58 ALA H H 1 8.53154 . . 1 . . . . A 279 ALA H . 36548 1 518 . 1 . 1 58 58 ALA HA H 1 4.01210 . . 1 . . . . A 279 ALA HA . 36548 1 519 . 1 . 1 58 58 ALA HB1 H 1 0.59154 . . 1 . . . . A 279 ALA HB1 . 36548 1 520 . 1 . 1 58 58 ALA HB2 H 1 0.59154 . . 1 . . . . A 279 ALA HB2 . 36548 1 521 . 1 . 1 58 58 ALA HB3 H 1 0.59154 . . 1 . . . . A 279 ALA HB3 . 36548 1 522 . 1 . 1 58 58 ALA CA C 13 54.91433 . . 1 . . . . A 279 ALA CA . 36548 1 523 . 1 . 1 58 58 ALA CB C 13 17.62309 . . 1 . . . . A 279 ALA CB . 36548 1 524 . 1 . 1 58 58 ALA N N 15 127.14140 . . 1 . . . . A 279 ALA N . 36548 1 525 . 1 . 1 59 59 ARG H H 1 8.66035 . . 1 . . . . A 280 ARG H . 36548 1 526 . 1 . 1 59 59 ARG HA H 1 5.69035 . . 1 . . . . A 280 ARG HA . 36548 1 527 . 1 . 1 59 59 ARG HB3 H 1 2.34490 . . . . . . . A 280 ARG HB3 . 36548 1 528 . 1 . 1 59 59 ARG HG3 H 1 1.96109 . . . . . . . A 280 ARG HG3 . 36548 1 529 . 1 . 1 59 59 ARG HD3 H 1 3.40127 . . . . . . . A 280 ARG HD3 . 36548 1 530 . 1 . 1 59 59 ARG CA C 13 54.35781 . . 1 . . . . A 280 ARG CA . 36548 1 531 . 1 . 1 59 59 ARG CB C 13 35.46255 . . 1 . . . . A 280 ARG CB . 36548 1 532 . 1 . 1 59 59 ARG CG C 13 27.21972 . . 1 . . . . A 280 ARG CG . 36548 1 533 . 1 . 1 59 59 ARG N N 15 120.70851 . . 1 . . . . A 280 ARG N . 36548 1 534 . 1 . 1 60 60 LYS H H 1 8.74156 . . 1 . . . . A 281 LYS H . 36548 1 535 . 1 . 1 60 60 LYS HA H 1 5.25132 . . 1 . . . . A 281 LYS HA . 36548 1 536 . 1 . 1 60 60 LYS HB2 H 1 0.93269 . . . . . . . A 281 LYS HB2 . 36548 1 537 . 1 . 1 60 60 LYS HB3 H 1 0.55410 . . . . . . . A 281 LYS HB3 . 36548 1 538 . 1 . 1 60 60 LYS HG2 H 1 0.03204 . . . . . . . A 281 LYS HG2 . 36548 1 539 . 1 . 1 60 60 LYS HG3 H 1 -0.01359 . . . . . . . A 281 LYS HG3 . 36548 1 540 . 1 . 1 60 60 LYS HD2 H 1 0.05971 . . . . . . . A 281 LYS HD2 . 36548 1 541 . 1 . 1 60 60 LYS HD3 H 1 -0.05595 . . . . . . . A 281 LYS HD3 . 36548 1 542 . 1 . 1 60 60 LYS HE2 H 1 1.07083 . . . . . . . A 281 LYS HE2 . 36548 1 543 . 1 . 1 60 60 LYS HE3 H 1 0.31270 . . . . . . . A 281 LYS HE3 . 36548 1 544 . 1 . 1 60 60 LYS CA C 13 55.36570 . . 1 . . . . A 281 LYS CA . 36548 1 545 . 1 . 1 60 60 LYS CB C 13 35.64146 . . 1 . . . . A 281 LYS CB . 36548 1 546 . 1 . 1 60 60 LYS CG C 13 24.00361 . . 1 . . . . A 281 LYS CG . 36548 1 547 . 1 . 1 60 60 LYS CD C 13 30.84958 . . 1 . . . . A 281 LYS CD . 36548 1 548 . 1 . 1 60 60 LYS CE C 13 40.48101 . . 1 . . . . A 281 LYS CE . 36548 1 549 . 1 . 1 60 60 LYS N N 15 118.23380 . . 1 . . . . A 281 LYS N . 36548 1 550 . 1 . 1 61 61 HIS H H 1 8.82256 . . 1 . . . . A 282 HIS H . 36548 1 551 . 1 . 1 61 61 HIS HA H 1 5.76402 . . 1 . . . . A 282 HIS HA . 36548 1 552 . 1 . 1 61 61 HIS HB2 H 1 2.73102 . . . . . . . A 282 HIS HB2 . 36548 1 553 . 1 . 1 61 61 HIS HB3 H 1 2.63621 . . . . . . . A 282 HIS HB3 . 36548 1 554 . 1 . 1 61 61 HIS CA C 13 53.34992 . . 1 . . . . A 282 HIS CA . 36548 1 555 . 1 . 1 61 61 HIS CB C 13 32.87503 . . 1 . . . . A 282 HIS CB . 36548 1 556 . 1 . 1 61 61 HIS N N 15 119.72360 . . 1 . . . . A 282 HIS N . 36548 1 557 . 1 . 1 62 62 VAL H H 1 8.79215 . . 1 . . . . A 283 VAL H . 36548 1 558 . 1 . 1 62 62 VAL HA H 1 4.98464 . . 1 . . . . A 283 VAL HA . 36548 1 559 . 1 . 1 62 62 VAL HB H 1 1.94064 . . 1 . . . . A 283 VAL HB . 36548 1 560 . 1 . 1 62 62 VAL HG11 H 1 0.64392 . . . . . . . A 283 VAL HG11 . 36548 1 561 . 1 . 1 62 62 VAL HG12 H 1 0.64392 . . . . . . . A 283 VAL HG12 . 36548 1 562 . 1 . 1 62 62 VAL HG13 H 1 0.64392 . . . . . . . A 283 VAL HG13 . 36548 1 563 . 1 . 1 62 62 VAL HG21 H 1 0.86695 . . . . . . . A 283 VAL HG21 . 36548 1 564 . 1 . 1 62 62 VAL HG22 H 1 0.86695 . . . . . . . A 283 VAL HG22 . 36548 1 565 . 1 . 1 62 62 VAL HG23 H 1 0.86695 . . . . . . . A 283 VAL HG23 . 36548 1 566 . 1 . 1 62 62 VAL CA C 13 61.29163 . . 1 . . . . A 283 VAL CA . 36548 1 567 . 1 . 1 62 62 VAL CB C 13 35.60583 . . 1 . . . . A 283 VAL CB . 36548 1 568 . 1 . 1 62 62 VAL CG1 C 13 21.53591 . . . . . . . A 283 VAL CG1 . 36548 1 569 . 1 . 1 62 62 VAL CG2 C 13 22.35357 . . . . . . . A 283 VAL CG2 . 36548 1 570 . 1 . 1 62 62 VAL N N 15 119.34643 . . 1 . . . . A 283 VAL N . 36548 1 571 . 1 . 1 63 63 GLU H H 1 8.58418 . . 1 . . . . A 284 GLU H . 36548 1 572 . 1 . 1 63 63 GLU HA H 1 4.91001 . . 1 . . . . A 284 GLU HA . 36548 1 573 . 1 . 1 63 63 GLU HB2 H 1 2.11401 . . . . . . . A 284 GLU HB2 . 36548 1 574 . 1 . 1 63 63 GLU HB3 H 1 1.98131 . . . . . . . A 284 GLU HB3 . 36548 1 575 . 1 . 1 63 63 GLU HG3 H 1 2.24513 . . . . . . . A 284 GLU HG3 . 36548 1 576 . 1 . 1 63 63 GLU CA C 13 53.97859 . . 1 . . . . A 284 GLU CA . 36548 1 577 . 1 . 1 63 63 GLU CB C 13 34.14736 . . 1 . . . . A 284 GLU CB . 36548 1 578 . 1 . 1 63 63 GLU CG C 13 35.41552 . . 1 . . . . A 284 GLU CG . 36548 1 579 . 1 . 1 63 63 GLU N N 15 124.24882 . . 1 . . . . A 284 GLU N . 36548 1 580 . 1 . 1 64 64 ARG H H 1 8.84486 . . 1 . . . . A 285 ARG H . 36548 1 581 . 1 . 1 64 64 ARG HA H 1 4.52575 . . 1 . . . . A 285 ARG HA . 36548 1 582 . 1 . 1 64 64 ARG HB2 H 1 1.64981 . . . . . . . A 285 ARG HB2 . 36548 1 583 . 1 . 1 64 64 ARG HB3 H 1 1.52419 . . . . . . . A 285 ARG HB3 . 36548 1 584 . 1 . 1 64 64 ARG HG2 H 1 1.62403 . . . . . . . A 285 ARG HG2 . 36548 1 585 . 1 . 1 64 64 ARG HG3 H 1 1.53564 . . . . . . . A 285 ARG HG3 . 36548 1 586 . 1 . 1 64 64 ARG HD3 H 1 3.01405 . . . . . . . A 285 ARG HD3 . 36548 1 587 . 1 . 1 64 64 ARG CA C 13 56.06153 . . 1 . . . . A 285 ARG CA . 36548 1 588 . 1 . 1 64 64 ARG CB C 13 30.31414 . . 1 . . . . A 285 ARG CB . 36548 1 589 . 1 . 1 64 64 ARG CG C 13 27.34261 . . 1 . . . . A 285 ARG CG . 36548 1 590 . 1 . 1 64 64 ARG CD C 13 42.81646 . . 1 . . . . A 285 ARG CD . 36548 1 591 . 1 . 1 64 64 ARG N N 15 122.03341 . . 1 . . . . A 285 ARG N . 36548 1 592 . 1 . 1 65 65 ALA H H 1 8.40024 . . 1 . . . . A 286 ALA H . 36548 1 593 . 1 . 1 65 65 ALA HA H 1 4.19878 . . 1 . . . . A 286 ALA HA . 36548 1 594 . 1 . 1 65 65 ALA HB1 H 1 1.50275 . . 1 . . . . A 286 ALA HB1 . 36548 1 595 . 1 . 1 65 65 ALA HB2 H 1 1.50275 . . 1 . . . . A 286 ALA HB2 . 36548 1 596 . 1 . 1 65 65 ALA HB3 H 1 1.50275 . . 1 . . . . A 286 ALA HB3 . 36548 1 597 . 1 . 1 65 65 ALA CA C 13 52.48920 . . 1 . . . . A 286 ALA CA . 36548 1 598 . 1 . 1 65 65 ALA CB C 13 18.72963 . . 1 . . . . A 286 ALA CB . 36548 1 599 . 1 . 1 65 65 ALA N N 15 126.94303 . . 1 . . . . A 286 ALA N . 36548 1 600 . 1 . 1 66 66 LEU H H 1 8.61749 . . 1 . . . . A 287 LEU H . 36548 1 601 . 1 . 1 66 66 LEU HA H 1 4.14945 . . 1 . . . . A 287 LEU HA . 36548 1 602 . 1 . 1 66 66 LEU HB2 H 1 1.74701 . . . . . . . A 287 LEU HB2 . 36548 1 603 . 1 . 1 66 66 LEU HB3 H 1 1.61878 . . . . . . . A 287 LEU HB3 . 36548 1 604 . 1 . 1 66 66 LEU HD11 H 1 0.93542 . . . . . . . A 287 LEU HD11 . 36548 1 605 . 1 . 1 66 66 LEU HD12 H 1 0.93542 . . . . . . . A 287 LEU HD12 . 36548 1 606 . 1 . 1 66 66 LEU HD13 H 1 0.93542 . . . . . . . A 287 LEU HD13 . 36548 1 607 . 1 . 1 66 66 LEU HD21 H 1 1.00353 . . . . . . . A 287 LEU HD21 . 36548 1 608 . 1 . 1 66 66 LEU HD22 H 1 1.00353 . . . . . . . A 287 LEU HD22 . 36548 1 609 . 1 . 1 66 66 LEU HD23 H 1 1.00353 . . . . . . . A 287 LEU HD23 . 36548 1 610 . 1 . 1 66 66 LEU CA C 13 56.75251 . . 1 . . . . A 287 LEU CA . 36548 1 611 . 1 . 1 66 66 LEU CB C 13 42.24836 . . 1 . . . . A 287 LEU CB . 36548 1 612 . 1 . 1 66 66 LEU CG C 13 27.07115 . . 1 . . . . A 287 LEU CG . 36548 1 613 . 1 . 1 66 66 LEU CD1 C 13 23.81558 . . . . . . . A 287 LEU CD1 . 36548 1 614 . 1 . 1 66 66 LEU CD2 C 13 24.84768 . . . . . . . A 287 LEU CD2 . 36548 1 615 . 1 . 1 66 66 LEU N N 15 121.89594 . . 1 . . . . A 287 LEU N . 36548 1 616 . 1 . 1 67 67 ASP H H 1 8.42410 . . 1 . . . . A 288 ASP H . 36548 1 617 . 1 . 1 67 67 ASP HA H 1 4.46653 . . 1 . . . . A 288 ASP HA . 36548 1 618 . 1 . 1 67 67 ASP HB2 H 1 2.79422 . . . . . . . A 288 ASP HB2 . 36548 1 619 . 1 . 1 67 67 ASP HB3 H 1 2.64251 . . . . . . . A 288 ASP HB3 . 36548 1 620 . 1 . 1 67 67 ASP CA C 13 53.76669 . . 1 . . . . A 288 ASP CA . 36548 1 621 . 1 . 1 67 67 ASP CB C 13 40.11091 . . 1 . . . . A 288 ASP CB . 36548 1 622 . 1 . 1 67 67 ASP N N 15 113.76353 . . 1 . . . . A 288 ASP N . 36548 1 623 . 1 . 1 68 68 ASP H H 1 6.64901 . . 1 . . . . A 289 ASP H . 36548 1 624 . 1 . 1 68 68 ASP HA H 1 4.86728 . . 1 . . . . A 289 ASP HA . 36548 1 625 . 1 . 1 68 68 ASP HB2 H 1 2.56664 . . . . . . . A 289 ASP HB2 . 36548 1 626 . 1 . 1 68 68 ASP HB3 H 1 2.50239 . . . . . . . A 289 ASP HB3 . 36548 1 627 . 1 . 1 68 68 ASP CA C 13 51.59508 . . 1 . . . . A 289 ASP CA . 36548 1 628 . 1 . 1 68 68 ASP CB C 13 41.59605 . . 1 . . . . A 289 ASP CB . 36548 1 629 . 1 . 1 68 68 ASP N N 15 115.90954 . . 1 . . . . A 289 ASP N . 36548 1 630 . 1 . 1 69 69 PRO HA H 1 4.63975 . . 1 . . . . A 290 PRO HA . 36548 1 631 . 1 . 1 69 69 PRO HB3 H 1 2.39303 . . . . . . . A 290 PRO HB3 . 36548 1 632 . 1 . 1 69 69 PRO HG2 H 1 2.06524 . . . . . . . A 290 PRO HG2 . 36548 1 633 . 1 . 1 69 69 PRO HG3 H 1 2.02934 . . . . . . . A 290 PRO HG3 . 36548 1 634 . 1 . 1 69 69 PRO HD2 H 1 3.89922 . . . . . . . A 290 PRO HD2 . 36548 1 635 . 1 . 1 69 69 PRO HD3 H 1 3.62431 . . . . . . . A 290 PRO HD3 . 36548 1 636 . 1 . 1 69 69 PRO CA C 13 63.85113 . . 1 . . . . A 290 PRO CA . 36548 1 637 . 1 . 1 69 69 PRO CB C 13 31.88114 . . 1 . . . . A 290 PRO CB . 36548 1 638 . 1 . 1 69 69 PRO CG C 13 26.91553 . . 1 . . . . A 290 PRO CG . 36548 1 639 . 1 . 1 69 69 PRO CD C 13 50.64981 . . 1 . . . . A 290 PRO CD . 36548 1 640 . 1 . 1 70 70 ALA H H 1 8.08556 . . 1 . . . . A 291 ALA H . 36548 1 641 . 1 . 1 70 70 ALA HA H 1 4.37067 . . 1 . . . . A 291 ALA HA . 36548 1 642 . 1 . 1 70 70 ALA HB1 H 1 1.48455 . . 1 . . . . A 291 ALA HB1 . 36548 1 643 . 1 . 1 70 70 ALA HB2 H 1 1.48455 . . 1 . . . . A 291 ALA HB2 . 36548 1 644 . 1 . 1 70 70 ALA HB3 H 1 1.48455 . . 1 . . . . A 291 ALA HB3 . 36548 1 645 . 1 . 1 70 70 ALA CA C 13 52.37799 . . 1 . . . . A 291 ALA CA . 36548 1 646 . 1 . 1 70 70 ALA CB C 13 19.16418 . . 1 . . . . A 291 ALA CB . 36548 1 647 . 1 . 1 70 70 ALA N N 15 120.41949 . . 1 . . . . A 291 ALA N . 36548 1 648 . 1 . 1 71 71 MET H H 1 8.23632 . . 1 . . . . A 292 MET H . 36548 1 649 . 1 . 1 71 71 MET HA H 1 5.01730 . . 1 . . . . A 292 MET HA . 36548 1 650 . 1 . 1 71 71 MET HB2 H 1 2.04117 . . . . . . . A 292 MET HB2 . 36548 1 651 . 1 . 1 71 71 MET HB3 H 1 1.79121 . . . . . . . A 292 MET HB3 . 36548 1 652 . 1 . 1 71 71 MET HG2 H 1 2.60465 . . . . . . . A 292 MET HG2 . 36548 1 653 . 1 . 1 71 71 MET HG3 H 1 2.30363 . . . . . . . A 292 MET HG3 . 36548 1 654 . 1 . 1 71 71 MET CA C 13 53.23528 . . 1 . . . . A 292 MET CA . 36548 1 655 . 1 . 1 71 71 MET CB C 13 33.87000 . . 1 . . . . A 292 MET CB . 36548 1 656 . 1 . 1 71 71 MET CG C 13 32.21560 . . 1 . . . . A 292 MET CG . 36548 1 657 . 1 . 1 71 71 MET N N 15 119.05420 . . 1 . . . . A 292 MET N . 36548 1 658 . 1 . 1 72 72 LEU H H 1 9.25373 . . 1 . . . . A 293 LEU H . 36548 1 659 . 1 . 1 72 72 LEU HA H 1 4.90354 . . 1 . . . . A 293 LEU HA . 36548 1 660 . 1 . 1 72 72 LEU HB2 H 1 1.71170 . . . . . . . A 293 LEU HB2 . 36548 1 661 . 1 . 1 72 72 LEU HB3 H 1 1.12993 . . . . . . . A 293 LEU HB3 . 36548 1 662 . 1 . 1 72 72 LEU HG H 1 1.51930 . . 1 . . . . A 293 LEU HG . 36548 1 663 . 1 . 1 72 72 LEU HD11 H 1 0.71197 . . . . . . . A 293 LEU HD11 . 36548 1 664 . 1 . 1 72 72 LEU HD12 H 1 0.71197 . . . . . . . A 293 LEU HD12 . 36548 1 665 . 1 . 1 72 72 LEU HD13 H 1 0.71197 . . . . . . . A 293 LEU HD13 . 36548 1 666 . 1 . 1 72 72 LEU HD21 H 1 0.76095 . . . . . . . A 293 LEU HD21 . 36548 1 667 . 1 . 1 72 72 LEU HD22 H 1 0.76095 . . . . . . . A 293 LEU HD22 . 36548 1 668 . 1 . 1 72 72 LEU HD23 H 1 0.76095 . . . . . . . A 293 LEU HD23 . 36548 1 669 . 1 . 1 72 72 LEU CA C 13 53.04037 . . 1 . . . . A 293 LEU CA . 36548 1 670 . 1 . 1 72 72 LEU CB C 13 43.97312 . . 1 . . . . A 293 LEU CB . 36548 1 671 . 1 . 1 72 72 LEU CG C 13 26.81092 . . 1 . . . . A 293 LEU CG . 36548 1 672 . 1 . 1 72 72 LEU CD1 C 13 25.95340 . . . . . . . A 293 LEU CD1 . 36548 1 673 . 1 . 1 72 72 LEU CD2 C 13 22.95505 . . . . . . . A 293 LEU CD2 . 36548 1 674 . 1 . 1 72 72 LEU N N 15 121.41262 . . 1 . . . . A 293 LEU N . 36548 1 675 . 1 . 1 73 73 ILE H H 1 9.14683 . . 1 . . . . A 294 ILE H . 36548 1 676 . 1 . 1 73 73 ILE HA H 1 4.56041 . . 1 . . . . A 294 ILE HA . 36548 1 677 . 1 . 1 73 73 ILE HB H 1 1.76775 . . 1 . . . . A 294 ILE HB . 36548 1 678 . 1 . 1 73 73 ILE HG21 H 1 0.76527 . . 1 . . . . A 294 ILE HG21 . 36548 1 679 . 1 . 1 73 73 ILE HG22 H 1 0.76527 . . 1 . . . . A 294 ILE HG22 . 36548 1 680 . 1 . 1 73 73 ILE HG23 H 1 0.76527 . . 1 . . . . A 294 ILE HG23 . 36548 1 681 . 1 . 1 73 73 ILE HD11 H 1 0.87194 . . 1 . . . . A 294 ILE HD11 . 36548 1 682 . 1 . 1 73 73 ILE HD12 H 1 0.87194 . . 1 . . . . A 294 ILE HD12 . 36548 1 683 . 1 . 1 73 73 ILE HD13 H 1 0.87194 . . 1 . . . . A 294 ILE HD13 . 36548 1 684 . 1 . 1 73 73 ILE CA C 13 60.49117 . . 1 . . . . A 294 ILE CA . 36548 1 685 . 1 . 1 73 73 ILE CB C 13 38.38938 . . 1 . . . . A 294 ILE CB . 36548 1 686 . 1 . 1 73 73 ILE CG1 C 13 27.17704 . . 1 . . . . A 294 ILE CG1 . 36548 1 687 . 1 . 1 73 73 ILE CG2 C 13 17.91841 . . 1 . . . . A 294 ILE CG2 . 36548 1 688 . 1 . 1 73 73 ILE CD1 C 13 13.18484 . . 1 . . . . A 294 ILE CD1 . 36548 1 689 . 1 . 1 73 73 ILE N N 15 120.55528 . . 1 . . . . A 294 ILE N . 36548 1 690 . 1 . 1 74 74 VAL H H 1 9.34103 . . 1 . . . . A 295 VAL H . 36548 1 691 . 1 . 1 74 74 VAL HA H 1 4.62052 . . 1 . . . . A 295 VAL HA . 36548 1 692 . 1 . 1 74 74 VAL HB H 1 1.96076 . . 1 . . . . A 295 VAL HB . 36548 1 693 . 1 . 1 74 74 VAL HG11 H 1 0.12956 . . . . . . . A 295 VAL HG11 . 36548 1 694 . 1 . 1 74 74 VAL HG12 H 1 0.12956 . . . . . . . A 295 VAL HG12 . 36548 1 695 . 1 . 1 74 74 VAL HG13 H 1 0.12956 . . . . . . . A 295 VAL HG13 . 36548 1 696 . 1 . 1 74 74 VAL HG21 H 1 0.73595 . . . . . . . A 295 VAL HG21 . 36548 1 697 . 1 . 1 74 74 VAL HG22 H 1 0.73595 . . . . . . . A 295 VAL HG22 . 36548 1 698 . 1 . 1 74 74 VAL HG23 H 1 0.73595 . . . . . . . A 295 VAL HG23 . 36548 1 699 . 1 . 1 74 74 VAL CA C 13 61.22384 . . 1 . . . . A 295 VAL CA . 36548 1 700 . 1 . 1 74 74 VAL CB C 13 32.84517 . . 1 . . . . A 295 VAL CB . 36548 1 701 . 1 . 1 74 74 VAL CG1 C 13 20.47309 . . . . . . . A 295 VAL CG1 . 36548 1 702 . 1 . 1 74 74 VAL CG2 C 13 21.13025 . . . . . . . A 295 VAL CG2 . 36548 1 703 . 1 . 1 74 74 VAL N N 15 131.80911 . . 1 . . . . A 295 VAL N . 36548 1 704 . 1 . 1 75 75 THR H H 1 8.74818 . . 1 . . . . A 296 THR H . 36548 1 705 . 1 . 1 75 75 THR HA H 1 4.93323 . . 1 . . . . A 296 THR HA . 36548 1 706 . 1 . 1 75 75 THR HB H 1 2.88619 . . 1 . . . . A 296 THR HB . 36548 1 707 . 1 . 1 75 75 THR HG21 H 1 0.93573 . . 1 . . . . A 296 THR HG21 . 36548 1 708 . 1 . 1 75 75 THR HG22 H 1 0.93573 . . 1 . . . . A 296 THR HG22 . 36548 1 709 . 1 . 1 75 75 THR HG23 H 1 0.93573 . . 1 . . . . A 296 THR HG23 . 36548 1 710 . 1 . 1 75 75 THR CA C 13 61.27646 . . 1 . . . . A 296 THR CA . 36548 1 711 . 1 . 1 75 75 THR CB C 13 69.58251 . . 1 . . . . A 296 THR CB . 36548 1 712 . 1 . 1 75 75 THR CG2 C 13 21.20674 . . 1 . . . . A 296 THR CG2 . 36548 1 713 . 1 . 1 75 75 THR N N 15 123.09553 . . 1 . . . . A 296 THR N . 36548 1 714 . 1 . 1 76 76 TYR H H 1 9.32703 . . 1 . . . . A 297 TYR H . 36548 1 715 . 1 . 1 76 76 TYR HA H 1 4.66519 . . 1 . . . . A 297 TYR HA . 36548 1 716 . 1 . 1 76 76 TYR HB2 H 1 3.33988 . . . . . . . A 297 TYR HB2 . 36548 1 717 . 1 . 1 76 76 TYR HB3 H 1 2.84801 . . . . . . . A 297 TYR HB3 . 36548 1 718 . 1 . 1 76 76 TYR HD1 H 1 7.11121 . . . . . . . A 297 TYR HD1 . 36548 1 719 . 1 . 1 76 76 TYR HD2 H 1 7.11121 . . . . . . . A 297 TYR HD2 . 36548 1 720 . 1 . 1 76 76 TYR HE1 H 1 6.75573 . . . . . . . A 297 TYR HE1 . 36548 1 721 . 1 . 1 76 76 TYR HE2 H 1 6.75573 . . . . . . . A 297 TYR HE2 . 36548 1 722 . 1 . 1 76 76 TYR CA C 13 58.10795 . . 1 . . . . A 297 TYR CA . 36548 1 723 . 1 . 1 76 76 TYR CB C 13 39.72543 . . 1 . . . . A 297 TYR CB . 36548 1 724 . 1 . 1 76 76 TYR CD1 C 13 132.80742 . . . . . . . A 297 TYR CD1 . 36548 1 725 . 1 . 1 76 76 TYR CD2 C 13 132.80742 . . . . . . . A 297 TYR CD2 . 36548 1 726 . 1 . 1 76 76 TYR CE1 C 13 117.85722 . . . . . . . A 297 TYR CE1 . 36548 1 727 . 1 . 1 76 76 TYR CE2 C 13 117.85722 . . . . . . . A 297 TYR CE2 . 36548 1 728 . 1 . 1 76 76 TYR N N 15 126.46171 . . 1 . . . . A 297 TYR N . 36548 1 729 . 1 . 1 77 77 GLU H H 1 8.56023 . . 1 . . . . A 298 GLU H . 36548 1 730 . 1 . 1 77 77 GLU HA H 1 4.90036 . . 1 . . . . A 298 GLU HA . 36548 1 731 . 1 . 1 77 77 GLU HB2 H 1 2.00755 . . . . . . . A 298 GLU HB2 . 36548 1 732 . 1 . 1 77 77 GLU HB3 H 1 1.86975 . . . . . . . A 298 GLU HB3 . 36548 1 733 . 1 . 1 77 77 GLU HG2 H 1 2.13639 . . . . . . . A 298 GLU HG2 . 36548 1 734 . 1 . 1 77 77 GLU HG3 H 1 2.13599 . . . . . . . A 298 GLU HG3 . 36548 1 735 . 1 . 1 77 77 GLU CA C 13 55.66613 . . 1 . . . . A 298 GLU CA . 36548 1 736 . 1 . 1 77 77 GLU CB C 13 33.58460 . . 1 . . . . A 298 GLU CB . 36548 1 737 . 1 . 1 77 77 GLU CG C 13 36.64078 . . 1 . . . . A 298 GLU CG . 36548 1 738 . 1 . 1 77 77 GLU N N 15 122.20358 . . 1 . . . . A 298 GLU N . 36548 1 739 . 1 . 1 78 78 GLY H H 1 8.60450 . . 1 . . . . A 299 GLY H . 36548 1 740 . 1 . 1 78 78 GLY HA2 H 1 4.35163 . . . . . . . A 299 GLY HA2 . 36548 1 741 . 1 . 1 78 78 GLY HA3 H 1 3.81884 . . . . . . . A 299 GLY HA3 . 36548 1 742 . 1 . 1 78 78 GLY CA C 13 44.24371 . . 1 . . . . A 299 GLY CA . 36548 1 743 . 1 . 1 78 78 GLY N N 15 112.36529 . . 1 . . . . A 299 GLY N . 36548 1 744 . 1 . 1 79 79 GLU H H 1 8.04098 . . 1 . . . . A 300 GLU H . 36548 1 745 . 1 . 1 79 79 GLU HA H 1 4.47615 . . 1 . . . . A 300 GLU HA . 36548 1 746 . 1 . 1 79 79 GLU HB2 H 1 2.00473 . . . . . . . A 300 GLU HB2 . 36548 1 747 . 1 . 1 79 79 GLU HB3 H 1 1.99975 . . . . . . . A 300 GLU HB3 . 36548 1 748 . 1 . 1 79 79 GLU HG2 H 1 2.25061 . . . . . . . A 300 GLU HG2 . 36548 1 749 . 1 . 1 79 79 GLU HG3 H 1 2.24756 . . . . . . . A 300 GLU HG3 . 36548 1 750 . 1 . 1 79 79 GLU CA C 13 54.59630 . . 1 . . . . A 300 GLU CA . 36548 1 751 . 1 . 1 79 79 GLU CB C 13 31.97442 . . 1 . . . . A 300 GLU CB . 36548 1 752 . 1 . 1 79 79 GLU CG C 13 36.20552 . . 1 . . . . A 300 GLU CG . 36548 1 753 . 1 . 1 79 79 GLU N N 15 119.64082 . . 1 . . . . A 300 GLU N . 36548 1 754 . 1 . 1 80 80 HIS H H 1 8.35754 . . 1 . . . . A 301 HIS H . 36548 1 755 . 1 . 1 80 80 HIS HA H 1 4.21377 . . 1 . . . . A 301 HIS HA . 36548 1 756 . 1 . 1 80 80 HIS HB2 H 1 2.50565 . . . . . . . A 301 HIS HB2 . 36548 1 757 . 1 . 1 80 80 HIS HB3 H 1 1.62681 . . . . . . . A 301 HIS HB3 . 36548 1 758 . 1 . 1 80 80 HIS HD2 H 1 6.96177 . . 1 . . . . A 301 HIS HD2 . 36548 1 759 . 1 . 1 80 80 HIS HE1 H 1 7.96354 . . 1 . . . . A 301 HIS HE1 . 36548 1 760 . 1 . 1 80 80 HIS CA C 13 56.71656 . . 1 . . . . A 301 HIS CA . 36548 1 761 . 1 . 1 80 80 HIS CB C 13 29.85522 . . 1 . . . . A 301 HIS CB . 36548 1 762 . 1 . 1 80 80 HIS N N 15 118.12248 . . 1 . . . . A 301 HIS N . 36548 1 763 . 1 . 1 81 81 ARG H H 1 8.86596 . . 1 . . . . A 302 ARG H . 36548 1 764 . 1 . 1 81 81 ARG HA H 1 4.42991 . . 1 . . . . A 302 ARG HA . 36548 1 765 . 1 . 1 81 81 ARG HB3 H 1 1.81562 . . . . . . . A 302 ARG HB3 . 36548 1 766 . 1 . 1 81 81 ARG CA C 13 55.70750 . . 1 . . . . A 302 ARG CA . 36548 1 767 . 1 . 1 81 81 ARG CB C 13 31.45200 . . 1 . . . . A 302 ARG CB . 36548 1 768 . 1 . 1 81 81 ARG CG C 13 26.76757 . . 1 . . . . A 302 ARG CG . 36548 1 769 . 1 . 1 81 81 ARG CD C 13 43.44694 . . 1 . . . . A 302 ARG CD . 36548 1 770 . 1 . 1 81 81 ARG N N 15 125.69028 . . 1 . . . . A 302 ARG N . 36548 1 771 . 1 . 1 82 82 HIS H H 1 8.80189 . . 1 . . . . A 303 HIS H . 36548 1 772 . 1 . 1 82 82 HIS HA H 1 4.37459 . . 1 . . . . A 303 HIS HA . 36548 1 773 . 1 . 1 82 82 HIS HB2 H 1 2.81371 . . . . . . . A 303 HIS HB2 . 36548 1 774 . 1 . 1 82 82 HIS HB3 H 1 2.67416 . . . . . . . A 303 HIS HB3 . 36548 1 775 . 1 . 1 82 82 HIS HD2 H 1 7.05015 . . 1 . . . . A 303 HIS HD2 . 36548 1 776 . 1 . 1 82 82 HIS CA C 13 51.53875 . . 1 . . . . A 303 HIS CA . 36548 1 777 . 1 . 1 82 82 HIS CB C 13 28.80669 . . 1 . . . . A 303 HIS CB . 36548 1 778 . 1 . 1 82 82 HIS CD2 C 13 125.48484 . . 1 . . . . A 303 HIS CD2 . 36548 1 779 . 1 . 1 82 82 HIS N N 15 125.54989 . . 1 . . . . A 303 HIS N . 36548 1 780 . 1 . 1 83 83 ASN H H 1 7.24360 . . 1 . . . . A 304 ASN H . 36548 1 781 . 1 . 1 83 83 ASN HA H 1 4.45603 . . 1 . . . . A 304 ASN HA . 36548 1 782 . 1 . 1 83 83 ASN HB2 H 1 2.78213 . . . . . . . A 304 ASN HB2 . 36548 1 783 . 1 . 1 83 83 ASN HB3 H 1 2.66354 . . . . . . . A 304 ASN HB3 . 36548 1 784 . 1 . 1 83 83 ASN CA C 13 53.11572 . . 1 . . . . A 304 ASN CA . 36548 1 785 . 1 . 1 83 83 ASN CB C 13 39.12469 . . 1 . . . . A 304 ASN CB . 36548 1 786 . 1 . 1 83 83 ASN N N 15 116.75801 . . 1 . . . . A 304 ASN N . 36548 1 787 . 1 . 1 84 84 GLN H H 1 8.52864 . . 1 . . . . A 305 GLN H . 36548 1 788 . 1 . 1 84 84 GLN HA H 1 4.37992 . . 1 . . . . A 305 GLN HA . 36548 1 789 . 1 . 1 84 84 GLN HB2 H 1 2.19814 . . . . . . . A 305 GLN HB2 . 36548 1 790 . 1 . 1 84 84 GLN HB3 H 1 2.06222 . . . . . . . A 305 GLN HB3 . 36548 1 791 . 1 . 1 84 84 GLN HG2 H 1 2.42261 . . . . . . . A 305 GLN HG2 . 36548 1 792 . 1 . 1 84 84 GLN HG3 H 1 2.42261 . . . . . . . A 305 GLN HG3 . 36548 1 793 . 1 . 1 84 84 GLN CA C 13 56.56651 . . 1 . . . . A 305 GLN CA . 36548 1 794 . 1 . 1 84 84 GLN CB C 13 29.40452 . . 1 . . . . A 305 GLN CB . 36548 1 795 . 1 . 1 84 84 GLN CG C 13 33.78569 . . 1 . . . . A 305 GLN CG . 36548 1 796 . 1 . 1 84 84 GLN N N 15 120.84857 . . 1 . . . . A 305 GLN N . 36548 1 797 . 1 . 1 85 85 SER H H 1 8.39092 . . 1 . . . . A 306 SER H . 36548 1 798 . 1 . 1 85 85 SER HB2 H 1 3.90777 . . . . . . . A 306 SER HB2 . 36548 1 799 . 1 . 1 85 85 SER HB3 H 1 3.90777 . . . . . . . A 306 SER HB3 . 36548 1 800 . 1 . 1 85 85 SER CA C 13 59.04840 . . 1 . . . . A 306 SER CA . 36548 1 801 . 1 . 1 85 85 SER CB C 13 63.76443 . . 1 . . . . A 306 SER CB . 36548 1 802 . 1 . 1 85 85 SER N N 15 116.79044 . . 1 . . . . A 306 SER N . 36548 1 803 . 1 . 1 86 86 ALA H H 1 8.28096 . . 1 . . . . A 307 ALA H . 36548 1 804 . 1 . 1 86 86 ALA CA C 13 52.91499 . . 1 . . . . A 307 ALA CA . 36548 1 805 . 1 . 1 86 86 ALA CB C 13 19.16460 . . 1 . . . . A 307 ALA CB . 36548 1 806 . 1 . 1 86 86 ALA N N 15 125.58035 . . 1 . . . . A 307 ALA N . 36548 1 807 . 1 . 1 87 87 MET H H 1 8.13356 . . 1 . . . . A 308 MET H . 36548 1 808 . 1 . 1 87 87 MET CA C 13 55.84296 . . 1 . . . . A 308 MET CA . 36548 1 809 . 1 . 1 87 87 MET CB C 13 32.66694 . . 1 . . . . A 308 MET CB . 36548 1 810 . 1 . 1 87 87 MET CG C 13 32.07029 . . 1 . . . . A 308 MET CG . 36548 1 811 . 1 . 1 87 87 MET N N 15 118.55206 . . 1 . . . . A 308 MET N . 36548 1 812 . 1 . 1 88 88 LEU H H 1 8.06044 . . 1 . . . . A 309 LEU H . 36548 1 813 . 1 . 1 88 88 LEU HA H 1 4.26996 . . 1 . . . . A 309 LEU HA . 36548 1 814 . 1 . 1 88 88 LEU HB2 H 1 1.63756 . . . . . . . A 309 LEU HB2 . 36548 1 815 . 1 . 1 88 88 LEU HB3 H 1 1.53808 . . . . . . . A 309 LEU HB3 . 36548 1 816 . 1 . 1 88 88 LEU HD11 H 1 0.86111 . . . . . . . A 309 LEU HD11 . 36548 1 817 . 1 . 1 88 88 LEU HD12 H 1 0.86111 . . . . . . . A 309 LEU HD12 . 36548 1 818 . 1 . 1 88 88 LEU HD13 H 1 0.86111 . . . . . . . A 309 LEU HD13 . 36548 1 819 . 1 . 1 88 88 LEU HD21 H 1 0.92003 . . . . . . . A 309 LEU HD21 . 36548 1 820 . 1 . 1 88 88 LEU HD22 H 1 0.92003 . . . . . . . A 309 LEU HD22 . 36548 1 821 . 1 . 1 88 88 LEU HD23 H 1 0.92003 . . . . . . . A 309 LEU HD23 . 36548 1 822 . 1 . 1 88 88 LEU CA C 13 55.41230 . . 1 . . . . A 309 LEU CA . 36548 1 823 . 1 . 1 88 88 LEU CB C 13 42.37428 . . 1 . . . . A 309 LEU CB . 36548 1 824 . 1 . 1 88 88 LEU CG C 13 26.94917 . . 1 . . . . A 309 LEU CG . 36548 1 825 . 1 . 1 88 88 LEU CD1 C 13 24.90727 . . . . . . . A 309 LEU CD1 . 36548 1 826 . 1 . 1 88 88 LEU CD2 C 13 23.39497 . . . . . . . A 309 LEU CD2 . 36548 1 827 . 1 . 1 88 88 LEU N N 15 122.57927 . . 1 . . . . A 309 LEU N . 36548 1 828 . 1 . 1 89 89 GLU H H 1 8.20849 . . 1 . . . . A 310 GLU H . 36548 1 829 . 1 . 1 89 89 GLU CA C 13 56.59723 . . 1 . . . . A 310 GLU CA . 36548 1 830 . 1 . 1 89 89 GLU CB C 13 30.31483 . . 1 . . . . A 310 GLU CB . 36548 1 831 . 1 . 1 89 89 GLU N N 15 121.04129 . . 1 . . . . A 310 GLU N . 36548 1 stop_ save_