data_36251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36251 _Entry.Title ; Solution structure of MUL1-RING domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-14 _Entry.Accession_date 2020-06-23 _Entry.Last_release_date 2020-06-23 _Entry.Original_release_date 2020-06-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36251 stop_ 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 . 'Lee, M.-S.' . . . . 36251 2 . 'Lee, M.-K.' . . . . 36251 3 . 'Ryu, K.-S.' . . . . 36251 4 . 'Chi, S.-W.' . . . . 36251 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ubiquitin ligase' . 36251 'STRUCTURAL PROTEIN' . 36251 'Solution structure' . 36251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 36251 '15N chemical shifts' 52 36251 '1H chemical shifts' 386 36251 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 . . 2025-09-27 . original BMRB . 36251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6K2K . 36251 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36251 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31235254 _Citation.DOI 10.1016/j.bbrc.2019.06.101 _Citation.Full_citation . _Citation.Title ; Solution structure of MUL1-RING domain and its interaction with p53 transactivation domain. ; _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 516 _Citation.Journal_issue 2 _Citation.Journal_ASTM BBRCA9 _Citation.Journal_ISSN 0006-291X _Citation.Journal_CSD 0146 _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 533 _Citation.Page_last 539 _Citation.Year 2019 _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 Min-Sung Lee M. S. . . 36251 1 2 Sang-Ok Lee S. O. . . 36251 1 3 Mi-Kyung Lee M. K. . . 36251 1 4 Gwan-Su Yi G. S. . . 36251 1 5 Chong-Kil Lee C. K. . . 36251 1 6 Kyonug-Seok Ryu K. S. . . 36251 1 7 Seung-Wook Chi S. W. . . 36251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36251 _Assembly.ID 1 _Assembly.Name 'Mitochondrial ubiquitin ligase activator of NFKB 1 (E.C.2.3.2.27)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _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 'free and other bound' _Assembly.Molecular_mass 6382.297 _Assembly.Enzyme_commission_number 2.3.2.27 _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 . . . . ; E3 SUMO-protein ligase MUL1,E3 ubiquitin-protein ligase MUL1,Growth inhibition and death E3 ligase,Mitochondrial-anchored protein ligase,MAPL,Putative NF-kappa-B-activating protein 266,RING finger protein 218,RING-type E3 ubiquitin transferase NFKB 1 ; . 36251 1 2 entity_ZN 2 $entity_ZN B,C A yes . . . . . . 36251 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 7 7 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 302 CYS SG . . A 500 ZN ZN 36251 1 2 'metal coordination' sing . 1 entity_1 1 CYS 10 10 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 305 CYS SG . . A 500 ZN ZN 36251 1 3 'metal coordination' sing . 1 entity_1 1 CYS 22 22 SG . 2 entity_ZN 2 ZN 2 2 ZN . . A 317 CYS SG . . A 501 ZN ZN 36251 1 4 'metal coordination' sing . 1 entity_1 1 HIS 24 24 ND1 . 2 entity_ZN 2 ZN 2 2 ZN . . A 319 HIS ND1 . . A 501 ZN ZN 36251 1 5 'metal coordination' sing . 1 entity_1 1 CYS 28 28 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 323 CYS SG . . A 500 ZN ZN 36251 1 6 'metal coordination' sing . 1 entity_1 1 CYS 31 31 SG . 2 entity_ZN 2 ZN 1 1 ZN . . A 326 CYS SG . . A 500 ZN ZN 36251 1 7 'metal coordination' sing . 1 entity_1 1 CYS 41 41 SG . 2 entity_ZN 2 ZN 2 2 ZN . . A 336 CYS SG . . A 501 ZN ZN 36251 1 8 'metal coordination' sing . 1 entity_1 1 CYS 44 44 SG . 2 entity_ZN 2 ZN 2 2 ZN . . A 339 CYS SG . . A 501 ZN ZN 36251 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 7 7 HG A 302 CYS HG 36251 1 2 . 1 . CYS 10 10 HG A 305 CYS HG 36251 1 3 . 1 . CYS 22 22 HG A 317 CYS HG 36251 1 4 . 1 . HIS 24 24 HD1 A 319 HIS HD1 36251 1 5 . 1 . CYS 28 28 HG A 323 CYS HG 36251 1 6 . 1 . CYS 31 31 HG A 326 CYS HG 36251 1 7 . 1 . CYS 41 41 HG A 336 CYS HG 36251 1 8 . 1 . CYS 44 44 HG A 339 CYS HG 36251 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 GLY 1 . A 296 GLY . start no . 36251 1 . 1 1 10 CYS 10 . A 305 CYS . middle . . 36251 1 . 1 1 11 LEU 11 . A 306 LEU . middle . . 36251 1 . 1 1 12 SER 12 . A 307 SER . middle . . 36251 1 . 1 1 13 SER 13 . A 308 SER . middle . . 36251 1 . 1 1 14 PHE 14 . A 309 PHE . middle . . 36251 1 . 1 1 15 LYS 15 . A 310 LYS . middle . . 36251 1 . 1 1 16 SER 16 . A 311 SER . middle . . 36251 1 . 1 1 17 CYS 17 . A 312 CYS . middle . . 36251 1 . 1 1 18 VAL 18 . A 313 VAL . middle . . 36251 1 . 1 1 19 PHE 19 . A 314 PHE . middle . . 36251 1 . 1 1 2 SER 2 . A 297 SER . middle . . 36251 1 . 1 1 20 LEU 20 . A 315 LEU . middle . . 36251 1 . 1 1 21 GLU 21 . A 316 GLU . middle . . 36251 1 . 1 1 22 CYS 22 . A 317 CYS . middle . . 36251 1 . 1 1 23 GLY 23 . A 318 GLY . middle no . 36251 1 . 1 1 24 HIS 24 . A 319 HIS . middle . . 36251 1 . 1 1 25 VAL 25 . A 320 VAL . middle . . 36251 1 . 1 1 26 CYS 26 . A 321 CYS . middle . . 36251 1 . 1 1 27 SER 27 . A 322 SER . middle . . 36251 1 . 1 1 28 CYS 28 . A 323 CYS . middle . . 36251 1 . 1 1 29 THR 29 . A 324 THR . middle . . 36251 1 . 1 1 3 LEU 3 . A 298 LEU . middle . . 36251 1 . 1 1 30 GLU 30 . A 325 GLU . middle . . 36251 1 . 1 1 31 CYS 31 . A 326 CYS . middle . . 36251 1 . 1 1 32 TYR 32 . A 327 TYR . middle . . 36251 1 . 1 1 33 ARG 33 . A 328 ARG . middle . . 36251 1 . 1 1 34 ALA 34 . A 329 ALA . middle . . 36251 1 . 1 1 35 LEU 35 . A 330 LEU . middle . . 36251 1 . 1 1 36 PRO 36 . A 331 PRO . middle no . 36251 1 . 1 1 37 GLU 37 . A 332 GLU . middle . . 36251 1 . 1 1 38 PRO 38 . A 333 PRO . middle no . 36251 1 . 1 1 39 LYS 39 . A 334 LYS . middle . . 36251 1 . 1 1 4 LYS 4 . A 299 LYS . middle . . 36251 1 . 1 1 40 LYS 40 . A 335 LYS . middle . . 36251 1 . 1 1 41 CYS 41 . A 336 CYS . middle . . 36251 1 . 1 1 42 PRO 42 . A 337 PRO . middle no . 36251 1 . 1 1 43 ILE 43 . A 338 ILE . middle . . 36251 1 . 1 1 44 CYS 44 . A 339 CYS . middle . . 36251 1 . 1 1 45 ARG 45 . A 340 ARG . middle . . 36251 1 . 1 1 46 GLN 46 . A 341 GLN . middle . . 36251 1 . 1 1 47 ALA 47 . A 342 ALA . middle . . 36251 1 . 1 1 48 ILE 48 . A 343 ILE . middle . . 36251 1 . 1 1 49 THR 49 . A 344 THR . middle . . 36251 1 . 1 1 5 SER 5 . A 300 SER . middle . . 36251 1 . 1 1 50 ARG 50 . A 345 ARG . middle . . 36251 1 . 1 1 51 VAL 51 . A 346 VAL . middle . . 36251 1 . 1 1 52 ILE 52 . A 347 ILE . middle . . 36251 1 . 1 1 53 PRO 53 . A 348 PRO . middle no . 36251 1 . 1 1 54 LEU 54 . A 349 LEU . middle . . 36251 1 . 1 1 55 TYR 55 . A 350 TYR . middle . . 36251 1 . 1 1 56 ASN 56 . A 351 ASN . middle . . 36251 1 . 1 1 57 SER 57 . A 352 SER . end . . 36251 1 . 1 1 6 ALA 6 . A 301 ALA . middle . . 36251 1 . 1 1 7 CYS 7 . A 302 CYS . middle . . 36251 1 . 1 1 8 VAL 8 . A 303 VAL . middle . . 36251 1 . 1 1 9 VAL 9 . A 304 VAL . middle . . 36251 1 . 2 2 1 ZN 1 . A 500 ZN . . . . 36251 1 . 2 2 2 ZN 2 . A 501 ZN . . . . 36251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Mitochondrial ubiquitin ligase activator of NFKB 1' _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 ; GSLKSACVVCLSSFKSCVFL ECGHVCSCTECYRALPEPKK CPICRQAITRVIPLYNS ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.2.27 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6251.479 _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 ; E3 SUMO-protein ligase MUL1,E3 ubiquitin-protein ligase MUL1,Growth inhibition and death E3 ligase,Mitochondrial-anchored protein ligase,MAPL,Putative NF-kappa-B-activating protein 266,RING finger protein 218,RING-type E3 ubiquitin transferase NFKB 1 ; common 36251 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 1 296 GLY . 36251 1 2 297 SER . 36251 1 3 298 LEU . 36251 1 4 299 LYS . 36251 1 5 300 SER . 36251 1 6 301 ALA . 36251 1 7 302 CYS . 36251 1 8 303 VAL . 36251 1 9 304 VAL . 36251 1 10 305 CYS . 36251 1 11 306 LEU . 36251 1 12 307 SER . 36251 1 13 308 SER . 36251 1 14 309 PHE . 36251 1 15 310 LYS . 36251 1 16 311 SER . 36251 1 17 312 CYS . 36251 1 18 313 VAL . 36251 1 19 314 PHE . 36251 1 20 315 LEU . 36251 1 21 316 GLU . 36251 1 22 317 CYS . 36251 1 23 318 GLY . 36251 1 24 319 HIS . 36251 1 25 320 VAL . 36251 1 26 321 CYS . 36251 1 27 322 SER . 36251 1 28 323 CYS . 36251 1 29 324 THR . 36251 1 30 325 GLU . 36251 1 31 326 CYS . 36251 1 32 327 TYR . 36251 1 33 328 ARG . 36251 1 34 329 ALA . 36251 1 35 330 LEU . 36251 1 36 331 PRO . 36251 1 37 332 GLU . 36251 1 38 333 PRO . 36251 1 39 334 LYS . 36251 1 40 335 LYS . 36251 1 41 336 CYS . 36251 1 42 337 PRO . 36251 1 43 338 ILE . 36251 1 44 339 CYS . 36251 1 45 340 ARG . 36251 1 46 341 GLN . 36251 1 47 342 ALA . 36251 1 48 343 ILE . 36251 1 49 344 THR . 36251 1 50 345 ARG . 36251 1 51 346 VAL . 36251 1 52 347 ILE . 36251 1 53 348 PRO . 36251 1 54 349 LEU . 36251 1 55 350 TYR . 36251 1 56 351 ASN . 36251 1 57 352 SER . 36251 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36251 1 . SER 2 2 36251 1 . LEU 3 3 36251 1 . LYS 4 4 36251 1 . SER 5 5 36251 1 . ALA 6 6 36251 1 . CYS 7 7 36251 1 . VAL 8 8 36251 1 . VAL 9 9 36251 1 . CYS 10 10 36251 1 . LEU 11 11 36251 1 . SER 12 12 36251 1 . SER 13 13 36251 1 . PHE 14 14 36251 1 . LYS 15 15 36251 1 . SER 16 16 36251 1 . CYS 17 17 36251 1 . VAL 18 18 36251 1 . PHE 19 19 36251 1 . LEU 20 20 36251 1 . GLU 21 21 36251 1 . CYS 22 22 36251 1 . GLY 23 23 36251 1 . HIS 24 24 36251 1 . VAL 25 25 36251 1 . CYS 26 26 36251 1 . SER 27 27 36251 1 . CYS 28 28 36251 1 . THR 29 29 36251 1 . GLU 30 30 36251 1 . CYS 31 31 36251 1 . TYR 32 32 36251 1 . ARG 33 33 36251 1 . ALA 34 34 36251 1 . LEU 35 35 36251 1 . PRO 36 36 36251 1 . GLU 37 37 36251 1 . PRO 38 38 36251 1 . LYS 39 39 36251 1 . LYS 40 40 36251 1 . CYS 41 41 36251 1 . PRO 42 42 36251 1 . ILE 43 43 36251 1 . CYS 44 44 36251 1 . ARG 45 45 36251 1 . GLN 46 46 36251 1 . ALA 47 47 36251 1 . ILE 48 48 36251 1 . THR 49 49 36251 1 . ARG 50 50 36251 1 . VAL 51 51 36251 1 . ILE 52 52 36251 1 . PRO 53 53 36251 1 . LEU 54 54 36251 1 . TYR 55 55 36251 1 . ASN 56 56 36251 1 . SER 57 57 36251 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 36251 _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 1 500 ZN $chem_comp_ZN 36251 2 2 501 ZN $chem_comp_ZN 36251 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 36251 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MUL1, C1orf166, GIDE, MAPL, MULAN, RNF218' . 36251 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 36251 _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 . . . . . . pGEX-4T3 . . . 36251 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 36251 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 36251 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 36251 ZN [Zn++] SMILES CACTVS 3.341 36251 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 36251 ZN [Zn+2] SMILES ACDLabs 10.04 36251 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 36251 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36251 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 36251 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36251 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36251 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36251 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-99% 13C; U-99% 15N] Mitochondrial ubiquitin ligase activator of NFKB 1, 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 'Mitochondrial ubiquitin ligase activator of NFKB 1' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36251 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36251 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36251 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 36251 _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' 50 . mM 36251 1 pH 6.5 . pH 36251 1 pressure 1 . atm 36251 1 temperature 298 . K 36251 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36251 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36251 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36251 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36251 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36251 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36251 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36251 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36251 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36251 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36251 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36251 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36251 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36251 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36251 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36251 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 36251 _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 II' . 900 . . . 36251 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 36251 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 2 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 4 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 5 '3D HN(CA)CO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 6 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 7 '3D CCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 8 '3D HCCH-COSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 9 '3D CC(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 10 '3D HBHA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 11 '3D HBCBCGCDHD' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 12 '3D HBCBCGCDHDHE' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 13 '3D NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 1 14 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36251 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 36251 _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' . . . . ppm 40.66 internal indirect 0.25144953 . . . . . 36251 1 H 1 DSS 'methyl protons' . . . . ppm 4.72 internal direct 1.0 . . . . . 36251 1 N 15 DSS 'methyl protons' . . . . ppm 118.07 internal indirect 0.10132912 . . . . . 36251 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 36251 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36251 1 2 '3D HNCACB' 1 $sample_1 isotropic 36251 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36251 1 4 '3D HNCO' 1 $sample_1 isotropic 36251 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 36251 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36251 1 7 '3D CCH-TOCSY' 1 $sample_1 isotropic 36251 1 8 '3D HCCH-COSY' 1 $sample_1 isotropic 36251 1 9 '3D CC(CO)NH' 1 $sample_1 isotropic 36251 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36251 1 11 '3D HBCBCGCDHD' 1 $sample_1 isotropic 36251 1 12 '3D HBCBCGCDHDHE' 1 $sample_1 isotropic 36251 1 13 '3D NOESY' 1 $sample_1 isotropic 36251 1 14 '2D 1H-15N HSQC' 1 $sample_1 anisotropic 36251 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 2 2 SER HA H 1 4.440 0.020 . 1 . . . . A 297 SER HA . 36251 1 2 . 1 . 1 2 2 SER HB2 H 1 3.839 0.020 . 1 . . . . A 297 SER HB2 . 36251 1 3 . 1 . 1 2 2 SER HB3 H 1 3.839 0.020 . 1 . . . . A 297 SER HB3 . 36251 1 4 . 1 . 1 2 2 SER C C 13 174.762 0.400 . 1 . . . . A 297 SER C . 36251 1 5 . 1 . 1 2 2 SER CA C 13 58.434 0.400 . 1 . . . . A 297 SER CA . 36251 1 6 . 1 . 1 2 2 SER CB C 13 63.872 0.400 . 1 . . . . A 297 SER CB . 36251 1 7 . 1 . 1 3 3 LEU H H 1 8.280 0.020 . 1 . . . . A 298 LEU H . 36251 1 8 . 1 . 1 3 3 LEU HA H 1 4.265 0.020 . 1 . . . . A 298 LEU HA . 36251 1 9 . 1 . 1 3 3 LEU HB2 H 1 1.560 0.020 . 1 . . . . A 298 LEU HB2 . 36251 1 10 . 1 . 1 3 3 LEU HB3 H 1 1.560 0.020 . 1 . . . . A 298 LEU HB3 . 36251 1 11 . 1 . 1 3 3 LEU HG H 1 1.579 0.020 . 1 . . . . A 298 LEU HG . 36251 1 12 . 1 . 1 3 3 LEU HD11 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD11 . 36251 1 13 . 1 . 1 3 3 LEU HD12 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD12 . 36251 1 14 . 1 . 1 3 3 LEU HD13 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD13 . 36251 1 15 . 1 . 1 3 3 LEU HD21 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD21 . 36251 1 16 . 1 . 1 3 3 LEU HD22 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD22 . 36251 1 17 . 1 . 1 3 3 LEU HD23 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD23 . 36251 1 18 . 1 . 1 3 3 LEU C C 13 177.627 0.400 . 1 . . . . A 298 LEU C . 36251 1 19 . 1 . 1 3 3 LEU CA C 13 55.665 0.400 . 1 . . . . A 298 LEU CA . 36251 1 20 . 1 . 1 3 3 LEU CB C 13 42.063 0.400 . 1 . . . . A 298 LEU CB . 36251 1 21 . 1 . 1 3 3 LEU CG C 13 27.026 0.400 . 1 . . . . A 298 LEU CG . 36251 1 22 . 1 . 1 3 3 LEU CD1 C 13 24.996 0.400 . 1 . . . . A 298 LEU CD1 . 36251 1 23 . 1 . 1 3 3 LEU CD2 C 13 23.609 0.400 . 1 . . . . A 298 LEU CD2 . 36251 1 24 . 1 . 1 3 3 LEU N N 15 123.822 0.400 . 1 . . . . A 298 LEU N . 36251 1 25 . 1 . 1 4 4 LYS H H 1 8.154 0.020 . 1 . . . . A 299 LYS H . 36251 1 26 . 1 . 1 4 4 LYS HA H 1 4.201 0.020 . 1 . . . . A 299 LYS HA . 36251 1 27 . 1 . 1 4 4 LYS HB2 H 1 1.744 0.020 . 2 . . . . A 299 LYS HB2 . 36251 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.623 0.020 . 2 . . . . A 299 LYS HB3 . 36251 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.345 0.020 . 2 . . . . A 299 LYS HG2 . 36251 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.274 0.020 . 2 . . . . A 299 LYS HG3 . 36251 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.519 0.020 . 1 . . . . A 299 LYS HD2 . 36251 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.519 0.020 . 1 . . . . A 299 LYS HD3 . 36251 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.821 0.020 . 1 . . . . A 299 LYS HE2 . 36251 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.821 0.020 . 1 . . . . A 299 LYS HE3 . 36251 1 35 . 1 . 1 4 4 LYS C C 13 176.180 0.400 . 1 . . . . A 299 LYS C . 36251 1 36 . 1 . 1 4 4 LYS CA C 13 56.589 0.400 . 1 . . . . A 299 LYS CA . 36251 1 37 . 1 . 1 4 4 LYS CB C 13 32.362 0.400 . 1 . . . . A 299 LYS CB . 36251 1 38 . 1 . 1 4 4 LYS CG C 13 24.863 0.400 . 1 . . . . A 299 LYS CG . 36251 1 39 . 1 . 1 4 4 LYS CD C 13 28.973 0.400 . 1 . . . . A 299 LYS CD . 36251 1 40 . 1 . 1 4 4 LYS CE C 13 42.058 0.400 . 1 . . . . A 299 LYS CE . 36251 1 41 . 1 . 1 4 4 LYS N N 15 121.146 0.400 . 1 . . . . A 299 LYS N . 36251 1 42 . 1 . 1 5 5 SER H H 1 7.904 0.020 . 1 . . . . A 300 SER H . 36251 1 43 . 1 . 1 5 5 SER HA H 1 4.483 0.020 . 1 . . . . A 300 SER HA . 36251 1 44 . 1 . 1 5 5 SER HB2 H 1 3.839 0.020 . 1 . . . . A 300 SER HB2 . 36251 1 45 . 1 . 1 5 5 SER HB3 H 1 3.839 0.020 . 1 . . . . A 300 SER HB3 . 36251 1 46 . 1 . 1 5 5 SER C C 13 173.653 0.400 . 1 . . . . A 300 SER C . 36251 1 47 . 1 . 1 5 5 SER CA C 13 57.727 0.400 . 1 . . . . A 300 SER CA . 36251 1 48 . 1 . 1 5 5 SER CB C 13 64.235 0.400 . 1 . . . . A 300 SER CB . 36251 1 49 . 1 . 1 5 5 SER N N 15 114.294 0.400 . 1 . . . . A 300 SER N . 36251 1 50 . 1 . 1 6 6 ALA H H 1 7.983 0.020 . 1 . . . . A 301 ALA H . 36251 1 51 . 1 . 1 6 6 ALA HA H 1 4.281 0.020 . 1 . . . . A 301 ALA HA . 36251 1 52 . 1 . 1 6 6 ALA HB1 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB1 . 36251 1 53 . 1 . 1 6 6 ALA HB2 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB2 . 36251 1 54 . 1 . 1 6 6 ALA HB3 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB3 . 36251 1 55 . 1 . 1 6 6 ALA C C 13 176.167 0.400 . 1 . . . . A 301 ALA C . 36251 1 56 . 1 . 1 6 6 ALA CA C 13 52.413 0.400 . 1 . . . . A 301 ALA CA . 36251 1 57 . 1 . 1 6 6 ALA CB C 13 19.767 0.400 . 1 . . . . A 301 ALA CB . 36251 1 58 . 1 . 1 6 6 ALA N N 15 124.683 0.400 . 1 . . . . A 301 ALA N . 36251 1 59 . 1 . 1 7 7 CYS H H 1 8.653 0.020 . 1 . . . . A 302 CYS H . 36251 1 60 . 1 . 1 7 7 CYS HA H 1 3.984 0.020 . 1 . . . . A 302 CYS HA . 36251 1 61 . 1 . 1 7 7 CYS HB2 H 1 3.397 0.020 . 2 . . . . A 302 CYS HB2 . 36251 1 62 . 1 . 1 7 7 CYS HB3 H 1 2.568 0.020 . 2 . . . . A 302 CYS HB3 . 36251 1 63 . 1 . 1 7 7 CYS C C 13 176.960 0.400 . 1 . . . . A 302 CYS C . 36251 1 64 . 1 . 1 7 7 CYS CA C 13 59.615 0.400 . 1 . . . . A 302 CYS CA . 36251 1 65 . 1 . 1 7 7 CYS CB C 13 32.188 0.400 . 1 . . . . A 302 CYS CB . 36251 1 66 . 1 . 1 7 7 CYS N N 15 123.278 0.400 . 1 . . . . A 302 CYS N . 36251 1 67 . 1 . 1 8 8 VAL H H 1 8.603 0.020 . 1 . . . . A 303 VAL H . 36251 1 68 . 1 . 1 8 8 VAL HA H 1 4.134 0.020 . 1 . . . . A 303 VAL HA . 36251 1 69 . 1 . 1 8 8 VAL HB H 1 2.491 0.020 . 1 . . . . A 303 VAL HB . 36251 1 70 . 1 . 1 8 8 VAL HG11 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG11 . 36251 1 71 . 1 . 1 8 8 VAL HG12 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG12 . 36251 1 72 . 1 . 1 8 8 VAL HG13 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG13 . 36251 1 73 . 1 . 1 8 8 VAL HG21 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG21 . 36251 1 74 . 1 . 1 8 8 VAL HG22 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG22 . 36251 1 75 . 1 . 1 8 8 VAL HG23 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG23 . 36251 1 76 . 1 . 1 8 8 VAL C C 13 175.618 0.400 . 1 . . . . A 303 VAL C . 36251 1 77 . 1 . 1 8 8 VAL CA C 13 63.348 0.400 . 1 . . . . A 303 VAL CA . 36251 1 78 . 1 . 1 8 8 VAL CB C 13 31.573 0.400 . 1 . . . . A 303 VAL CB . 36251 1 79 . 1 . 1 8 8 VAL CG1 C 13 21.258 0.400 . 1 . . . . A 303 VAL CG1 . 36251 1 80 . 1 . 1 8 8 VAL CG2 C 13 18.735 0.400 . 1 . . . . A 303 VAL CG2 . 36251 1 81 . 1 . 1 8 8 VAL N N 15 121.878 0.400 . 1 . . . . A 303 VAL N . 36251 1 82 . 1 . 1 9 9 VAL H H 1 9.367 0.020 . 1 . . . . A 304 VAL H . 36251 1 83 . 1 . 1 9 9 VAL HA H 1 3.989 0.020 . 1 . . . . A 304 VAL HA . 36251 1 84 . 1 . 1 9 9 VAL HB H 1 2.755 0.020 . 1 . . . . A 304 VAL HB . 36251 1 85 . 1 . 1 9 9 VAL HG11 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG11 . 36251 1 86 . 1 . 1 9 9 VAL HG12 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG12 . 36251 1 87 . 1 . 1 9 9 VAL HG13 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG13 . 36251 1 88 . 1 . 1 9 9 VAL HG21 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG21 . 36251 1 89 . 1 . 1 9 9 VAL HG22 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG22 . 36251 1 90 . 1 . 1 9 9 VAL HG23 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG23 . 36251 1 91 . 1 . 1 9 9 VAL C C 13 177.062 0.400 . 1 . . . . A 304 VAL C . 36251 1 92 . 1 . 1 9 9 VAL CA C 13 65.466 0.400 . 1 . . . . A 304 VAL CA . 36251 1 93 . 1 . 1 9 9 VAL CB C 13 31.228 0.400 . 1 . . . . A 304 VAL CB . 36251 1 94 . 1 . 1 9 9 VAL CG1 C 13 21.588 0.400 . 1 . . . . A 304 VAL CG1 . 36251 1 95 . 1 . 1 9 9 VAL CG2 C 13 21.571 0.400 . 1 . . . . A 304 VAL CG2 . 36251 1 96 . 1 . 1 9 9 VAL N N 15 125.414 0.400 . 1 . . . . A 304 VAL N . 36251 1 97 . 1 . 1 10 10 CYS H H 1 8.284 0.020 . 1 . . . . A 305 CYS H . 36251 1 98 . 1 . 1 10 10 CYS HA H 1 4.684 0.020 . 1 . . . . A 305 CYS HA . 36251 1 99 . 1 . 1 10 10 CYS HB2 H 1 3.138 0.020 . 2 . . . . A 305 CYS HB2 . 36251 1 100 . 1 . 1 10 10 CYS HB3 H 1 2.780 0.020 . 2 . . . . A 305 CYS HB3 . 36251 1 101 . 1 . 1 10 10 CYS C C 13 176.598 0.400 . 1 . . . . A 305 CYS C . 36251 1 102 . 1 . 1 10 10 CYS CA C 13 58.998 0.400 . 1 . . . . A 305 CYS CA . 36251 1 103 . 1 . 1 10 10 CYS CB C 13 32.315 0.400 . 1 . . . . A 305 CYS CB . 36251 1 104 . 1 . 1 10 10 CYS N N 15 117.561 0.400 . 1 . . . . A 305 CYS N . 36251 1 105 . 1 . 1 11 11 LEU H H 1 7.898 0.020 . 1 . . . . A 306 LEU H . 36251 1 106 . 1 . 1 11 11 LEU HA H 1 4.295 0.020 . 1 . . . . A 306 LEU HA . 36251 1 107 . 1 . 1 11 11 LEU HB2 H 1 2.017 0.020 . 2 . . . . A 306 LEU HB2 . 36251 1 108 . 1 . 1 11 11 LEU HB3 H 1 1.659 0.020 . 2 . . . . A 306 LEU HB3 . 36251 1 109 . 1 . 1 11 11 LEU HG H 1 1.437 0.020 . 1 . . . . A 306 LEU HG . 36251 1 110 . 1 . 1 11 11 LEU HD11 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD11 . 36251 1 111 . 1 . 1 11 11 LEU HD12 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD12 . 36251 1 112 . 1 . 1 11 11 LEU HD13 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD13 . 36251 1 113 . 1 . 1 11 11 LEU HD21 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD21 . 36251 1 114 . 1 . 1 11 11 LEU HD22 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD22 . 36251 1 115 . 1 . 1 11 11 LEU HD23 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD23 . 36251 1 116 . 1 . 1 11 11 LEU C C 13 177.004 0.400 . 1 . . . . A 306 LEU C . 36251 1 117 . 1 . 1 11 11 LEU CA C 13 56.941 0.400 . 1 . . . . A 306 LEU CA . 36251 1 118 . 1 . 1 11 11 LEU CB C 13 39.695 0.400 . 1 . . . . A 306 LEU CB . 36251 1 119 . 1 . 1 11 11 LEU CG C 13 27.087 0.400 . 1 . . . . A 306 LEU CG . 36251 1 120 . 1 . 1 11 11 LEU CD1 C 13 25.454 0.400 . 1 . . . . A 306 LEU CD1 . 36251 1 121 . 1 . 1 11 11 LEU CD2 C 13 23.236 0.400 . 1 . . . . A 306 LEU CD2 . 36251 1 122 . 1 . 1 11 11 LEU N N 15 121.056 0.400 . 1 . . . . A 306 LEU N . 36251 1 123 . 1 . 1 12 12 SER H H 1 8.385 0.020 . 1 . . . . A 307 SER H . 36251 1 124 . 1 . 1 12 12 SER HA H 1 4.659 0.020 . 1 . . . . A 307 SER HA . 36251 1 125 . 1 . 1 12 12 SER HB2 H 1 3.832 0.020 . 2 . . . . A 307 SER HB2 . 36251 1 126 . 1 . 1 12 12 SER HB3 H 1 3.780 0.020 . 2 . . . . A 307 SER HB3 . 36251 1 127 . 1 . 1 12 12 SER C C 13 173.673 0.400 . 1 . . . . A 307 SER C . 36251 1 128 . 1 . 1 12 12 SER CA C 13 59.108 0.400 . 1 . . . . A 307 SER CA . 36251 1 129 . 1 . 1 12 12 SER CB C 13 64.879 0.400 . 1 . . . . A 307 SER CB . 36251 1 130 . 1 . 1 12 12 SER N N 15 114.318 0.400 . 1 . . . . A 307 SER N . 36251 1 131 . 1 . 1 13 13 SER H H 1 7.595 0.020 . 1 . . . . A 308 SER H . 36251 1 132 . 1 . 1 13 13 SER HA H 1 4.449 0.020 . 1 . . . . A 308 SER HA . 36251 1 133 . 1 . 1 13 13 SER HB2 H 1 3.873 0.020 . 1 . . . . A 308 SER HB2 . 36251 1 134 . 1 . 1 13 13 SER HB3 H 1 3.873 0.020 . 1 . . . . A 308 SER HB3 . 36251 1 135 . 1 . 1 13 13 SER C C 13 172.807 0.400 . 1 . . . . A 308 SER C . 36251 1 136 . 1 . 1 13 13 SER CA C 13 57.501 0.400 . 1 . . . . A 308 SER CA . 36251 1 137 . 1 . 1 13 13 SER CB C 13 64.602 0.400 . 1 . . . . A 308 SER CB . 36251 1 138 . 1 . 1 13 13 SER N N 15 118.084 0.400 . 1 . . . . A 308 SER N . 36251 1 139 . 1 . 1 14 14 PHE H H 1 8.224 0.020 . 1 . . . . A 309 PHE H . 36251 1 140 . 1 . 1 14 14 PHE HA H 1 4.811 0.020 . 1 . . . . A 309 PHE HA . 36251 1 141 . 1 . 1 14 14 PHE HB2 H 1 3.247 0.020 . 2 . . . . A 309 PHE HB2 . 36251 1 142 . 1 . 1 14 14 PHE HB3 H 1 2.857 0.020 . 2 . . . . A 309 PHE HB3 . 36251 1 143 . 1 . 1 14 14 PHE HD1 H 1 7.207 0.020 . 1 . . . . A 309 PHE HD1 . 36251 1 144 . 1 . 1 14 14 PHE HD2 H 1 7.207 0.020 . 1 . . . . A 309 PHE HD2 . 36251 1 145 . 1 . 1 14 14 PHE HE1 H 1 7.319 0.020 . 1 . . . . A 309 PHE HE1 . 36251 1 146 . 1 . 1 14 14 PHE HE2 H 1 7.319 0.020 . 1 . . . . A 309 PHE HE2 . 36251 1 147 . 1 . 1 14 14 PHE C C 13 176.545 0.400 . 1 . . . . A 309 PHE C . 36251 1 148 . 1 . 1 14 14 PHE CA C 13 57.311 0.400 . 1 . . . . A 309 PHE CA . 36251 1 149 . 1 . 1 14 14 PHE CB C 13 39.336 0.400 . 1 . . . . A 309 PHE CB . 36251 1 150 . 1 . 1 14 14 PHE N N 15 120.323 0.400 . 1 . . . . A 309 PHE N . 36251 1 151 . 1 . 1 15 15 LYS H H 1 8.389 0.020 . 1 . . . . A 310 LYS H . 36251 1 152 . 1 . 1 15 15 LYS HA H 1 3.586 0.020 . 1 . . . . A 310 LYS HA . 36251 1 153 . 1 . 1 15 15 LYS HB2 H 1 1.605 0.020 . 2 . . . . A 310 LYS HB2 . 36251 1 154 . 1 . 1 15 15 LYS HB3 H 1 1.426 0.020 . 2 . . . . A 310 LYS HB3 . 36251 1 155 . 1 . 1 15 15 LYS HG2 H 1 1.275 0.020 . 2 . . . . A 310 LYS HG2 . 36251 1 156 . 1 . 1 15 15 LYS HG3 H 1 0.928 0.020 . 2 . . . . A 310 LYS HG3 . 36251 1 157 . 1 . 1 15 15 LYS HD2 H 1 1.573 0.020 . 2 . . . . A 310 LYS HD2 . 36251 1 158 . 1 . 1 15 15 LYS HD3 H 1 1.469 0.020 . 2 . . . . A 310 LYS HD3 . 36251 1 159 . 1 . 1 15 15 LYS HE2 H 1 2.957 0.020 . 2 . . . . A 310 LYS HE2 . 36251 1 160 . 1 . 1 15 15 LYS HE3 H 1 2.898 0.020 . 2 . . . . A 310 LYS HE3 . 36251 1 161 . 1 . 1 15 15 LYS C C 13 177.705 0.400 . 1 . . . . A 310 LYS C . 36251 1 162 . 1 . 1 15 15 LYS CA C 13 57.749 0.400 . 1 . . . . A 310 LYS CA . 36251 1 163 . 1 . 1 15 15 LYS CB C 13 33.581 0.400 . 1 . . . . A 310 LYS CB . 36251 1 164 . 1 . 1 15 15 LYS CG C 13 25.153 0.400 . 1 . . . . A 310 LYS CG . 36251 1 165 . 1 . 1 15 15 LYS CD C 13 30.274 0.400 . 1 . . . . A 310 LYS CD . 36251 1 166 . 1 . 1 15 15 LYS CE C 13 42.263 0.400 . 1 . . . . A 310 LYS CE . 36251 1 167 . 1 . 1 15 15 LYS N N 15 120.189 0.400 . 1 . . . . A 310 LYS N . 36251 1 168 . 1 . 1 16 16 SER H H 1 8.738 0.020 . 1 . . . . A 311 SER H . 36251 1 169 . 1 . 1 16 16 SER HA H 1 4.769 0.020 . 1 . . . . A 311 SER HA . 36251 1 170 . 1 . 1 16 16 SER HB2 H 1 4.287 0.020 . 2 . . . . A 311 SER HB2 . 36251 1 171 . 1 . 1 16 16 SER HB3 H 1 3.753 0.020 . 2 . . . . A 311 SER HB3 . 36251 1 172 . 1 . 1 16 16 SER C C 13 173.823 0.400 . 1 . . . . A 311 SER C . 36251 1 173 . 1 . 1 16 16 SER CA C 13 58.575 0.400 . 1 . . . . A 311 SER CA . 36251 1 174 . 1 . 1 16 16 SER CB C 13 65.746 0.400 . 1 . . . . A 311 SER CB . 36251 1 175 . 1 . 1 16 16 SER N N 15 113.299 0.400 . 1 . . . . A 311 SER N . 36251 1 176 . 1 . 1 17 17 CYS H H 1 7.495 0.020 . 1 . . . . A 312 CYS H . 36251 1 177 . 1 . 1 17 17 CYS HA H 1 5.199 0.020 . 1 . . . . A 312 CYS HA . 36251 1 178 . 1 . 1 17 17 CYS HB2 H 1 2.879 0.020 . 2 . . . . A 312 CYS HB2 . 36251 1 179 . 1 . 1 17 17 CYS HB3 H 1 2.263 0.020 . 2 . . . . A 312 CYS HB3 . 36251 1 180 . 1 . 1 17 17 CYS C C 13 171.839 0.400 . 1 . . . . A 312 CYS C . 36251 1 181 . 1 . 1 17 17 CYS CA C 13 56.540 0.400 . 1 . . . . A 312 CYS CA . 36251 1 182 . 1 . 1 17 17 CYS CB C 13 31.230 0.400 . 1 . . . . A 312 CYS CB . 36251 1 183 . 1 . 1 17 17 CYS N N 15 115.980 0.400 . 1 . . . . A 312 CYS N . 36251 1 184 . 1 . 1 18 18 VAL H H 1 9.173 0.020 . 1 . . . . A 313 VAL H . 36251 1 185 . 1 . 1 18 18 VAL HA H 1 4.207 0.020 . 1 . . . . A 313 VAL HA . 36251 1 186 . 1 . 1 18 18 VAL HB H 1 1.856 0.020 . 1 . . . . A 313 VAL HB . 36251 1 187 . 1 . 1 18 18 VAL HG11 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG11 . 36251 1 188 . 1 . 1 18 18 VAL HG12 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG12 . 36251 1 189 . 1 . 1 18 18 VAL HG13 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG13 . 36251 1 190 . 1 . 1 18 18 VAL HG21 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG21 . 36251 1 191 . 1 . 1 18 18 VAL HG22 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG22 . 36251 1 192 . 1 . 1 18 18 VAL HG23 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG23 . 36251 1 193 . 1 . 1 18 18 VAL C C 13 175.058 0.400 . 1 . . . . A 313 VAL C . 36251 1 194 . 1 . 1 18 18 VAL CA C 13 60.370 0.400 . 1 . . . . A 313 VAL CA . 36251 1 195 . 1 . 1 18 18 VAL CB C 13 34.135 0.400 . 1 . . . . A 313 VAL CB . 36251 1 196 . 1 . 1 18 18 VAL CG1 C 13 20.968 0.400 . 1 . . . . A 313 VAL CG1 . 36251 1 197 . 1 . 1 18 18 VAL CG2 C 13 20.670 0.400 . 1 . . . . A 313 VAL CG2 . 36251 1 198 . 1 . 1 18 18 VAL N N 15 122.795 0.400 . 1 . . . . A 313 VAL N . 36251 1 199 . 1 . 1 19 19 PHE H H 1 8.222 0.020 . 1 . . . . A 314 PHE H . 36251 1 200 . 1 . 1 19 19 PHE HA H 1 5.263 0.020 . 1 . . . . A 314 PHE HA . 36251 1 201 . 1 . 1 19 19 PHE HB2 H 1 3.624 0.020 . 2 . . . . A 314 PHE HB2 . 36251 1 202 . 1 . 1 19 19 PHE HB3 H 1 3.154 0.020 . 2 . . . . A 314 PHE HB3 . 36251 1 203 . 1 . 1 19 19 PHE HD1 H 1 7.393 0.020 . 1 . . . . A 314 PHE HD1 . 36251 1 204 . 1 . 1 19 19 PHE HD2 H 1 7.393 0.020 . 1 . . . . A 314 PHE HD2 . 36251 1 205 . 1 . 1 19 19 PHE HE1 H 1 7.223 0.020 . 1 . . . . A 314 PHE HE1 . 36251 1 206 . 1 . 1 19 19 PHE HE2 H 1 7.223 0.020 . 1 . . . . A 314 PHE HE2 . 36251 1 207 . 1 . 1 19 19 PHE C C 13 173.716 0.400 . 1 . . . . A 314 PHE C . 36251 1 208 . 1 . 1 19 19 PHE CA C 13 52.971 0.400 . 1 . . . . A 314 PHE CA . 36251 1 209 . 1 . 1 19 19 PHE CB C 13 38.818 0.400 . 1 . . . . A 314 PHE CB . 36251 1 210 . 1 . 1 19 19 PHE N N 15 124.792 0.400 . 1 . . . . A 314 PHE N . 36251 1 211 . 1 . 1 20 20 LEU H H 1 8.692 0.020 . 1 . . . . A 315 LEU H . 36251 1 212 . 1 . 1 20 20 LEU HA H 1 4.617 0.020 . 1 . . . . A 315 LEU HA . 36251 1 213 . 1 . 1 20 20 LEU HB2 H 1 1.718 0.020 . 2 . . . . A 315 LEU HB2 . 36251 1 214 . 1 . 1 20 20 LEU HB3 H 1 1.367 0.020 . 2 . . . . A 315 LEU HB3 . 36251 1 215 . 1 . 1 20 20 LEU HG H 1 1.486 0.020 . 1 . . . . A 315 LEU HG . 36251 1 216 . 1 . 1 20 20 LEU HD11 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD11 . 36251 1 217 . 1 . 1 20 20 LEU HD12 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD12 . 36251 1 218 . 1 . 1 20 20 LEU HD13 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD13 . 36251 1 219 . 1 . 1 20 20 LEU HD21 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD21 . 36251 1 220 . 1 . 1 20 20 LEU HD22 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD22 . 36251 1 221 . 1 . 1 20 20 LEU HD23 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD23 . 36251 1 222 . 1 . 1 20 20 LEU C C 13 177.722 0.400 . 1 . . . . A 315 LEU C . 36251 1 223 . 1 . 1 20 20 LEU CA C 13 50.162 0.400 . 1 . . . . A 315 LEU CA . 36251 1 224 . 1 . 1 20 20 LEU CB C 13 42.016 0.400 . 1 . . . . A 315 LEU CB . 36251 1 225 . 1 . 1 20 20 LEU CG C 13 27.701 0.400 . 1 . . . . A 315 LEU CG . 36251 1 226 . 1 . 1 20 20 LEU CD1 C 13 25.410 0.400 . 1 . . . . A 315 LEU CD1 . 36251 1 227 . 1 . 1 20 20 LEU CD2 C 13 23.216 0.400 . 1 . . . . A 315 LEU CD2 . 36251 1 228 . 1 . 1 20 20 LEU N N 15 121.283 0.400 . 1 . . . . A 315 LEU N . 36251 1 229 . 1 . 1 21 21 GLU H H 1 7.991 0.020 . 1 . . . . A 316 GLU H . 36251 1 230 . 1 . 1 21 21 GLU HA H 1 4.053 0.020 . 1 . . . . A 316 GLU HA . 36251 1 231 . 1 . 1 21 21 GLU HB2 H 1 2.354 0.020 . 2 . . . . A 316 GLU HB2 . 36251 1 232 . 1 . 1 21 21 GLU HB3 H 1 1.807 0.020 . 2 . . . . A 316 GLU HB3 . 36251 1 233 . 1 . 1 21 21 GLU HG2 H 1 2.413 0.020 . 2 . . . . A 316 GLU HG2 . 36251 1 234 . 1 . 1 21 21 GLU HG3 H 1 2.253 0.020 . 2 . . . . A 316 GLU HG3 . 36251 1 235 . 1 . 1 21 21 GLU C C 13 178.109 0.400 . 1 . . . . A 316 GLU C . 36251 1 236 . 1 . 1 21 21 GLU CA C 13 58.807 0.400 . 1 . . . . A 316 GLU CA . 36251 1 237 . 1 . 1 21 21 GLU CB C 13 31.352 0.400 . 1 . . . . A 316 GLU CB . 36251 1 238 . 1 . 1 21 21 GLU CG C 13 35.606 0.400 . 1 . . . . A 316 GLU CG . 36251 1 239 . 1 . 1 21 21 GLU N N 15 117.607 0.400 . 1 . . . . A 316 GLU N . 36251 1 240 . 1 . 1 22 22 CYS H H 1 9.060 0.020 . 1 . . . . A 317 CYS H . 36251 1 241 . 1 . 1 22 22 CYS HA H 1 4.257 0.020 . 1 . . . . A 317 CYS HA . 36251 1 242 . 1 . 1 22 22 CYS HB2 H 1 2.881 0.020 . 2 . . . . A 317 CYS HB2 . 36251 1 243 . 1 . 1 22 22 CYS HB3 H 1 2.774 0.020 . 2 . . . . A 317 CYS HB3 . 36251 1 244 . 1 . 1 22 22 CYS C C 13 176.743 0.400 . 1 . . . . A 317 CYS C . 36251 1 245 . 1 . 1 22 22 CYS CA C 13 61.474 0.400 . 1 . . . . A 317 CYS CA . 36251 1 246 . 1 . 1 22 22 CYS CB C 13 31.291 0.400 . 1 . . . . A 317 CYS CB . 36251 1 247 . 1 . 1 22 22 CYS N N 15 121.632 0.400 . 1 . . . . A 317 CYS N . 36251 1 248 . 1 . 1 23 23 GLY H H 1 8.841 0.020 . 1 . . . . A 318 GLY H . 36251 1 249 . 1 . 1 23 23 GLY HA2 H 1 4.033 0.020 . 2 . . . . A 318 GLY HA2 . 36251 1 250 . 1 . 1 23 23 GLY HA3 H 1 3.444 0.020 . 2 . . . . A 318 GLY HA3 . 36251 1 251 . 1 . 1 23 23 GLY C C 13 174.079 0.400 . 1 . . . . A 318 GLY C . 36251 1 252 . 1 . 1 23 23 GLY CA C 13 45.940 0.400 . 1 . . . . A 318 GLY CA . 36251 1 253 . 1 . 1 23 23 GLY N N 15 111.596 0.400 . 1 . . . . A 318 GLY N . 36251 1 254 . 1 . 1 24 24 HIS H H 1 8.666 0.020 . 1 . . . . A 319 HIS H . 36251 1 255 . 1 . 1 24 24 HIS HA H 1 4.534 0.020 . 1 . . . . A 319 HIS HA . 36251 1 256 . 1 . 1 24 24 HIS HB2 H 1 3.638 0.020 . 2 . . . . A 319 HIS HB2 . 36251 1 257 . 1 . 1 24 24 HIS HB3 H 1 2.830 0.020 . 2 . . . . A 319 HIS HB3 . 36251 1 258 . 1 . 1 24 24 HIS HD2 H 1 7.288 0.020 . 1 . . . . A 319 HIS HD2 . 36251 1 259 . 1 . 1 24 24 HIS C C 13 174.498 0.400 . 1 . . . . A 319 HIS C . 36251 1 260 . 1 . 1 24 24 HIS CA C 13 61.351 0.400 . 1 . . . . A 319 HIS CA . 36251 1 261 . 1 . 1 24 24 HIS CB C 13 31.244 0.400 . 1 . . . . A 319 HIS CB . 36251 1 262 . 1 . 1 24 24 HIS N N 15 120.557 0.400 . 1 . . . . A 319 HIS N . 36251 1 263 . 1 . 1 25 25 VAL H H 1 8.567 0.020 . 1 . . . . A 320 VAL H . 36251 1 264 . 1 . 1 25 25 VAL HA H 1 4.408 0.020 . 1 . . . . A 320 VAL HA . 36251 1 265 . 1 . 1 25 25 VAL HB H 1 2.109 0.020 . 1 . . . . A 320 VAL HB . 36251 1 266 . 1 . 1 25 25 VAL HG11 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG11 . 36251 1 267 . 1 . 1 25 25 VAL HG12 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG12 . 36251 1 268 . 1 . 1 25 25 VAL HG13 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG13 . 36251 1 269 . 1 . 1 25 25 VAL HG21 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG21 . 36251 1 270 . 1 . 1 25 25 VAL HG22 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG22 . 36251 1 271 . 1 . 1 25 25 VAL HG23 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG23 . 36251 1 272 . 1 . 1 25 25 VAL C C 13 175.275 0.400 . 1 . . . . A 320 VAL C . 36251 1 273 . 1 . 1 25 25 VAL CA C 13 60.770 0.400 . 1 . . . . A 320 VAL CA . 36251 1 274 . 1 . 1 25 25 VAL CB C 13 31.302 0.400 . 1 . . . . A 320 VAL CB . 36251 1 275 . 1 . 1 25 25 VAL CG1 C 13 21.382 0.400 . 1 . . . . A 320 VAL CG1 . 36251 1 276 . 1 . 1 25 25 VAL CG2 C 13 21.382 0.400 . 1 . . . . A 320 VAL CG2 . 36251 1 277 . 1 . 1 25 25 VAL N N 15 123.167 0.400 . 1 . . . . A 320 VAL N . 36251 1 278 . 1 . 1 26 26 CYS H H 1 9.345 0.020 . 1 . . . . A 321 CYS H . 36251 1 279 . 1 . 1 26 26 CYS HA H 1 4.969 0.020 . 1 . . . . A 321 CYS HA . 36251 1 280 . 1 . 1 26 26 CYS HB2 H 1 3.061 0.020 . 2 . . . . A 321 CYS HB2 . 36251 1 281 . 1 . 1 26 26 CYS HB3 H 1 2.805 0.020 . 2 . . . . A 321 CYS HB3 . 36251 1 282 . 1 . 1 26 26 CYS C C 13 171.639 0.400 . 1 . . . . A 321 CYS C . 36251 1 283 . 1 . 1 26 26 CYS CA C 13 56.973 0.400 . 1 . . . . A 321 CYS CA . 36251 1 284 . 1 . 1 26 26 CYS CB C 13 31.735 0.400 . 1 . . . . A 321 CYS CB . 36251 1 285 . 1 . 1 26 26 CYS N N 15 117.985 0.400 . 1 . . . . A 321 CYS N . 36251 1 286 . 1 . 1 27 27 SER H H 1 8.186 0.020 . 1 . . . . A 322 SER H . 36251 1 287 . 1 . 1 27 27 SER HA H 1 6.587 0.020 . 1 . . . . A 322 SER HA . 36251 1 288 . 1 . 1 27 27 SER HB2 H 1 3.595 0.020 . 2 . . . . A 322 SER HB2 . 36251 1 289 . 1 . 1 27 27 SER HB3 H 1 3.763 0.020 . 2 . . . . A 322 SER HB3 . 36251 1 290 . 1 . 1 27 27 SER C C 13 174.745 0.400 . 1 . . . . A 322 SER C . 36251 1 291 . 1 . 1 27 27 SER CA C 13 56.706 0.400 . 1 . . . . A 322 SER CA . 36251 1 292 . 1 . 1 27 27 SER CB C 13 68.804 0.400 . 1 . . . . A 322 SER CB . 36251 1 293 . 1 . 1 27 27 SER N N 15 119.480 0.400 . 1 . . . . A 322 SER N . 36251 1 294 . 1 . 1 28 28 CYS H H 1 9.728 0.020 . 1 . . . . A 323 CYS H . 36251 1 295 . 1 . 1 28 28 CYS HA H 1 5.551 0.020 . 1 . . . . A 323 CYS HA . 36251 1 296 . 1 . 1 28 28 CYS HB2 H 1 3.595 0.020 . 2 . . . . A 323 CYS HB2 . 36251 1 297 . 1 . 1 28 28 CYS HB3 H 1 2.851 0.020 . 2 . . . . A 323 CYS HB3 . 36251 1 298 . 1 . 1 28 28 CYS C C 13 177.694 0.400 . 1 . . . . A 323 CYS C . 36251 1 299 . 1 . 1 28 28 CYS CA C 13 58.178 0.400 . 1 . . . . A 323 CYS CA . 36251 1 300 . 1 . 1 28 28 CYS CB C 13 32.083 0.400 . 1 . . . . A 323 CYS CB . 36251 1 301 . 1 . 1 28 28 CYS N N 15 125.110 0.400 . 1 . . . . A 323 CYS N . 36251 1 302 . 1 . 1 29 29 THR HA H 1 4.051 0.020 . 1 . . . . A 324 THR HA . 36251 1 303 . 1 . 1 29 29 THR HB H 1 4.223 0.020 . 1 . . . . A 324 THR HB . 36251 1 304 . 1 . 1 29 29 THR HG21 H 1 1.320 0.020 . 1 . . . . A 324 THR HG21 . 36251 1 305 . 1 . 1 29 29 THR HG22 H 1 1.320 0.020 . 1 . . . . A 324 THR HG22 . 36251 1 306 . 1 . 1 29 29 THR HG23 H 1 1.320 0.020 . 1 . . . . A 324 THR HG23 . 36251 1 307 . 1 . 1 29 29 THR C C 13 176.132 0.400 . 1 . . . . A 324 THR C . 36251 1 308 . 1 . 1 29 29 THR CA C 13 66.695 0.400 . 1 . . . . A 324 THR CA . 36251 1 309 . 1 . 1 29 29 THR CB C 13 68.463 0.400 . 1 . . . . A 324 THR CB . 36251 1 310 . 1 . 1 29 29 THR CG2 C 13 22.638 0.400 . 1 . . . . A 324 THR CG2 . 36251 1 311 . 1 . 1 30 30 GLU H H 1 8.503 0.020 . 1 . . . . A 325 GLU H . 36251 1 312 . 1 . 1 30 30 GLU HA H 1 4.055 0.020 . 1 . . . . A 325 GLU HA . 36251 1 313 . 1 . 1 30 30 GLU HB2 H 1 2.370 0.020 . 2 . . . . A 325 GLU HB2 . 36251 1 314 . 1 . 1 30 30 GLU HB3 H 1 2.097 0.020 . 2 . . . . A 325 GLU HB3 . 36251 1 315 . 1 . 1 30 30 GLU HG2 H 1 2.474 0.020 . 2 . . . . A 325 GLU HG2 . 36251 1 316 . 1 . 1 30 30 GLU HG3 H 1 2.346 0.020 . 2 . . . . A 325 GLU HG3 . 36251 1 317 . 1 . 1 30 30 GLU C C 13 180.128 0.400 . 1 . . . . A 325 GLU C . 36251 1 318 . 1 . 1 30 30 GLU CA C 13 60.789 0.400 . 1 . . . . A 325 GLU CA . 36251 1 319 . 1 . 1 30 30 GLU CB C 13 29.026 0.400 . 1 . . . . A 325 GLU CB . 36251 1 320 . 1 . 1 30 30 GLU CG C 13 37.241 0.400 . 1 . . . . A 325 GLU CG . 36251 1 321 . 1 . 1 30 30 GLU N N 15 124.044 0.400 . 1 . . . . A 325 GLU N . 36251 1 322 . 1 . 1 31 31 CYS H H 1 9.268 0.020 . 1 . . . . A 326 CYS H . 36251 1 323 . 1 . 1 31 31 CYS HA H 1 3.987 0.020 . 1 . . . . A 326 CYS HA . 36251 1 324 . 1 . 1 31 31 CYS HB2 H 1 3.026 0.020 . 2 . . . . A 326 CYS HB2 . 36251 1 325 . 1 . 1 31 31 CYS HB3 H 1 2.718 0.020 . 2 . . . . A 326 CYS HB3 . 36251 1 326 . 1 . 1 31 31 CYS C C 13 178.748 0.400 . 1 . . . . A 326 CYS C . 36251 1 327 . 1 . 1 31 31 CYS CA C 13 65.441 0.400 . 1 . . . . A 326 CYS CA . 36251 1 328 . 1 . 1 31 31 CYS CB C 13 28.674 0.400 . 1 . . . . A 326 CYS CB . 36251 1 329 . 1 . 1 31 31 CYS N N 15 124.175 0.400 . 1 . . . . A 326 CYS N . 36251 1 330 . 1 . 1 32 32 TYR H H 1 7.521 0.020 . 1 . . . . A 327 TYR H . 36251 1 331 . 1 . 1 32 32 TYR HA H 1 4.321 0.020 . 1 . . . . A 327 TYR HA . 36251 1 332 . 1 . 1 32 32 TYR HB2 H 1 3.407 0.020 . 1 . . . . A 327 TYR HB2 . 36251 1 333 . 1 . 1 32 32 TYR HB3 H 1 3.407 0.020 . 1 . . . . A 327 TYR HB3 . 36251 1 334 . 1 . 1 32 32 TYR HD1 H 1 6.998 0.020 . 1 . . . . A 327 TYR HD1 . 36251 1 335 . 1 . 1 32 32 TYR HD2 H 1 6.998 0.020 . 1 . . . . A 327 TYR HD2 . 36251 1 336 . 1 . 1 32 32 TYR HE1 H 1 6.494 0.020 . 1 . . . . A 327 TYR HE1 . 36251 1 337 . 1 . 1 32 32 TYR HE2 H 1 6.494 0.020 . 1 . . . . A 327 TYR HE2 . 36251 1 338 . 1 . 1 32 32 TYR C C 13 178.483 0.400 . 1 . . . . A 327 TYR C . 36251 1 339 . 1 . 1 32 32 TYR CA C 13 60.818 0.400 . 1 . . . . A 327 TYR CA . 36251 1 340 . 1 . 1 32 32 TYR CB C 13 37.440 0.400 . 1 . . . . A 327 TYR CB . 36251 1 341 . 1 . 1 32 32 TYR N N 15 119.306 0.400 . 1 . . . . A 327 TYR N . 36251 1 342 . 1 . 1 33 33 ARG H H 1 8.307 0.020 . 1 . . . . A 328 ARG H . 36251 1 343 . 1 . 1 33 33 ARG HA H 1 3.389 0.020 . 1 . . . . A 328 ARG HA . 36251 1 344 . 1 . 1 33 33 ARG HB2 H 1 1.936 0.020 . 1 . . . . A 328 ARG HB2 . 36251 1 345 . 1 . 1 33 33 ARG HB3 H 1 1.936 0.020 . 1 . . . . A 328 ARG HB3 . 36251 1 346 . 1 . 1 33 33 ARG HG2 H 1 1.984 0.020 . 2 . . . . A 328 ARG HG2 . 36251 1 347 . 1 . 1 33 33 ARG HG3 H 1 1.680 0.020 . 2 . . . . A 328 ARG HG3 . 36251 1 348 . 1 . 1 33 33 ARG HD2 H 1 3.230 0.020 . 1 . . . . A 328 ARG HD2 . 36251 1 349 . 1 . 1 33 33 ARG HD3 H 1 3.230 0.020 . 1 . . . . A 328 ARG HD3 . 36251 1 350 . 1 . 1 33 33 ARG C C 13 176.663 0.400 . 1 . . . . A 328 ARG C . 36251 1 351 . 1 . 1 33 33 ARG CA C 13 59.612 0.400 . 1 . . . . A 328 ARG CA . 36251 1 352 . 1 . 1 33 33 ARG CB C 13 29.754 0.400 . 1 . . . . A 328 ARG CB . 36251 1 353 . 1 . 1 33 33 ARG CG C 13 28.096 0.400 . 1 . . . . A 328 ARG CG . 36251 1 354 . 1 . 1 33 33 ARG CD C 13 43.558 0.400 . 1 . . . . A 328 ARG CD . 36251 1 355 . 1 . 1 33 33 ARG N N 15 121.269 0.400 . 1 . . . . A 328 ARG N . 36251 1 356 . 1 . 1 34 34 ALA H H 1 7.306 0.020 . 1 . . . . A 329 ALA H . 36251 1 357 . 1 . 1 34 34 ALA HA H 1 4.176 0.020 . 1 . . . . A 329 ALA HA . 36251 1 358 . 1 . 1 34 34 ALA HB1 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB1 . 36251 1 359 . 1 . 1 34 34 ALA HB2 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB2 . 36251 1 360 . 1 . 1 34 34 ALA HB3 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB3 . 36251 1 361 . 1 . 1 34 34 ALA C C 13 177.941 0.400 . 1 . . . . A 329 ALA C . 36251 1 362 . 1 . 1 34 34 ALA CA C 13 52.301 0.400 . 1 . . . . A 329 ALA CA . 36251 1 363 . 1 . 1 34 34 ALA CB C 13 19.303 0.400 . 1 . . . . A 329 ALA CB . 36251 1 364 . 1 . 1 34 34 ALA N N 15 118.276 0.400 . 1 . . . . A 329 ALA N . 36251 1 365 . 1 . 1 35 35 LEU H H 1 7.174 0.020 . 1 . . . . A 330 LEU H . 36251 1 366 . 1 . 1 35 35 LEU HA H 1 4.308 0.020 . 1 . . . . A 330 LEU HA . 36251 1 367 . 1 . 1 35 35 LEU HB2 H 1 1.612 0.020 . 2 . . . . A 330 LEU HB2 . 36251 1 368 . 1 . 1 35 35 LEU HB3 H 1 1.454 0.020 . 2 . . . . A 330 LEU HB3 . 36251 1 369 . 1 . 1 35 35 LEU HG H 1 0.940 0.020 . 1 . . . . A 330 LEU HG . 36251 1 370 . 1 . 1 35 35 LEU HD11 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD11 . 36251 1 371 . 1 . 1 35 35 LEU HD12 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD12 . 36251 1 372 . 1 . 1 35 35 LEU HD13 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD13 . 36251 1 373 . 1 . 1 35 35 LEU HD21 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD21 . 36251 1 374 . 1 . 1 35 35 LEU HD22 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD22 . 36251 1 375 . 1 . 1 35 35 LEU HD23 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD23 . 36251 1 376 . 1 . 1 35 35 LEU C C 13 175.597 0.400 . 1 . . . . A 330 LEU C . 36251 1 377 . 1 . 1 35 35 LEU CA C 13 53.798 0.400 . 1 . . . . A 330 LEU CA . 36251 1 378 . 1 . 1 35 35 LEU CB C 13 41.082 0.400 . 1 . . . . A 330 LEU CB . 36251 1 379 . 1 . 1 35 35 LEU CG C 13 26.085 0.400 . 1 . . . . A 330 LEU CG . 36251 1 380 . 1 . 1 35 35 LEU CD1 C 13 22.149 0.400 . 1 . . . . A 330 LEU CD1 . 36251 1 381 . 1 . 1 35 35 LEU CD2 C 13 22.163 0.400 . 1 . . . . A 330 LEU CD2 . 36251 1 382 . 1 . 1 35 35 LEU N N 15 121.130 0.400 . 1 . . . . A 330 LEU N . 36251 1 383 . 1 . 1 36 36 PRO HA H 1 4.369 0.020 . 1 . . . . A 331 PRO HA . 36251 1 384 . 1 . 1 36 36 PRO HB2 H 1 2.258 0.020 . 2 . . . . A 331 PRO HB2 . 36251 1 385 . 1 . 1 36 36 PRO HB3 H 1 1.852 0.020 . 2 . . . . A 331 PRO HB3 . 36251 1 386 . 1 . 1 36 36 PRO HG2 H 1 2.033 0.020 . 2 . . . . A 331 PRO HG2 . 36251 1 387 . 1 . 1 36 36 PRO HG3 H 1 1.985 0.020 . 2 . . . . A 331 PRO HG3 . 36251 1 388 . 1 . 1 36 36 PRO HD2 H 1 3.877 0.020 . 2 . . . . A 331 PRO HD2 . 36251 1 389 . 1 . 1 36 36 PRO HD3 H 1 3.673 0.020 . 2 . . . . A 331 PRO HD3 . 36251 1 390 . 1 . 1 36 36 PRO C C 13 175.536 0.400 . 1 . . . . A 331 PRO C . 36251 1 391 . 1 . 1 36 36 PRO CA C 13 62.321 0.400 . 1 . . . . A 331 PRO CA . 36251 1 392 . 1 . 1 36 36 PRO CB C 13 31.989 0.400 . 1 . . . . A 331 PRO CB . 36251 1 393 . 1 . 1 36 36 PRO CG C 13 27.265 0.400 . 1 . . . . A 331 PRO CG . 36251 1 394 . 1 . 1 36 36 PRO CD C 13 50.588 0.400 . 1 . . . . A 331 PRO CD . 36251 1 395 . 1 . 1 37 37 GLU H H 1 8.249 0.020 . 1 . . . . A 332 GLU H . 36251 1 396 . 1 . 1 37 37 GLU HA H 1 4.352 0.020 . 1 . . . . A 332 GLU HA . 36251 1 397 . 1 . 1 37 37 GLU HB2 H 1 1.959 0.020 . 2 . . . . A 332 GLU HB2 . 36251 1 398 . 1 . 1 37 37 GLU HB3 H 1 1.769 0.020 . 2 . . . . A 332 GLU HB3 . 36251 1 399 . 1 . 1 37 37 GLU HG2 H 1 2.361 0.020 . 2 . . . . A 332 GLU HG2 . 36251 1 400 . 1 . 1 37 37 GLU HG3 H 1 2.190 0.020 . 2 . . . . A 332 GLU HG3 . 36251 1 401 . 1 . 1 37 37 GLU C C 13 176.255 0.400 . 1 . . . . A 332 GLU C . 36251 1 402 . 1 . 1 37 37 GLU CA C 13 54.123 0.400 . 1 . . . . A 332 GLU CA . 36251 1 403 . 1 . 1 37 37 GLU CB C 13 29.917 0.400 . 1 . . . . A 332 GLU CB . 36251 1 404 . 1 . 1 37 37 GLU CG C 13 36.031 0.400 . 1 . . . . A 332 GLU CG . 36251 1 405 . 1 . 1 37 37 GLU N N 15 118.374 0.400 . 1 . . . . A 332 GLU N . 36251 1 406 . 1 . 1 38 38 PRO HA H 1 4.750 0.020 . 1 . . . . A 333 PRO HA . 36251 1 407 . 1 . 1 38 38 PRO HB2 H 1 2.339 0.020 . 2 . . . . A 333 PRO HB2 . 36251 1 408 . 1 . 1 38 38 PRO HB3 H 1 2.066 0.020 . 2 . . . . A 333 PRO HB3 . 36251 1 409 . 1 . 1 38 38 PRO HG2 H 1 1.952 0.020 . 1 . . . . A 333 PRO HG2 . 36251 1 410 . 1 . 1 38 38 PRO HG3 H 1 1.952 0.020 . 1 . . . . A 333 PRO HG3 . 36251 1 411 . 1 . 1 38 38 PRO HD2 H 1 3.575 0.020 . 2 . . . . A 333 PRO HD2 . 36251 1 412 . 1 . 1 38 38 PRO HD3 H 1 3.498 0.020 . 2 . . . . A 333 PRO HD3 . 36251 1 413 . 1 . 1 38 38 PRO C C 13 176.154 0.400 . 1 . . . . A 333 PRO C . 36251 1 414 . 1 . 1 38 38 PRO CA C 13 61.725 0.400 . 1 . . . . A 333 PRO CA . 36251 1 415 . 1 . 1 38 38 PRO CB C 13 33.422 0.400 . 1 . . . . A 333 PRO CB . 36251 1 416 . 1 . 1 38 38 PRO CG C 13 25.218 0.400 . 1 . . . . A 333 PRO CG . 36251 1 417 . 1 . 1 38 38 PRO CD C 13 50.341 0.400 . 1 . . . . A 333 PRO CD . 36251 1 418 . 1 . 1 39 39 LYS H H 1 8.353 0.020 . 1 . . . . A 334 LYS H . 36251 1 419 . 1 . 1 39 39 LYS HA H 1 4.185 0.020 . 1 . . . . A 334 LYS HA . 36251 1 420 . 1 . 1 39 39 LYS HB2 H 1 1.932 0.020 . 2 . . . . A 334 LYS HB2 . 36251 1 421 . 1 . 1 39 39 LYS HB3 H 1 1.329 0.020 . 2 . . . . A 334 LYS HB3 . 36251 1 422 . 1 . 1 39 39 LYS HG2 H 1 1.405 0.020 . 2 . . . . A 334 LYS HG2 . 36251 1 423 . 1 . 1 39 39 LYS HG3 H 1 1.228 0.020 . 2 . . . . A 334 LYS HG3 . 36251 1 424 . 1 . 1 39 39 LYS HD2 H 1 1.348 0.020 . 2 . . . . A 334 LYS HD2 . 36251 1 425 . 1 . 1 39 39 LYS HD3 H 1 1.166 0.020 . 2 . . . . A 334 LYS HD3 . 36251 1 426 . 1 . 1 39 39 LYS HE2 H 1 2.769 0.020 . 2 . . . . A 334 LYS HE2 . 36251 1 427 . 1 . 1 39 39 LYS HE3 H 1 2.575 0.020 . 2 . . . . A 334 LYS HE3 . 36251 1 428 . 1 . 1 39 39 LYS C C 13 177.375 0.400 . 1 . . . . A 334 LYS C . 36251 1 429 . 1 . 1 39 39 LYS CA C 13 57.397 0.400 . 1 . . . . A 334 LYS CA . 36251 1 430 . 1 . 1 39 39 LYS CB C 13 33.831 0.400 . 1 . . . . A 334 LYS CB . 36251 1 431 . 1 . 1 39 39 LYS CG C 13 25.466 0.400 . 1 . . . . A 334 LYS CG . 36251 1 432 . 1 . 1 39 39 LYS CD C 13 29.756 0.400 . 1 . . . . A 334 LYS CD . 36251 1 433 . 1 . 1 39 39 LYS CE C 13 42.983 0.400 . 1 . . . . A 334 LYS CE . 36251 1 434 . 1 . 1 39 39 LYS N N 15 123.699 0.400 . 1 . . . . A 334 LYS N . 36251 1 435 . 1 . 1 40 40 LYS H H 1 8.707 0.020 . 1 . . . . A 335 LYS H . 36251 1 436 . 1 . 1 40 40 LYS HA H 1 4.693 0.020 . 1 . . . . A 335 LYS HA . 36251 1 437 . 1 . 1 40 40 LYS HB2 H 1 1.472 0.020 . 2 . . . . A 335 LYS HB2 . 36251 1 438 . 1 . 1 40 40 LYS HB3 H 1 1.209 0.020 . 2 . . . . A 335 LYS HB3 . 36251 1 439 . 1 . 1 40 40 LYS HG2 H 1 1.403 0.020 . 2 . . . . A 335 LYS HG2 . 36251 1 440 . 1 . 1 40 40 LYS HG3 H 1 1.134 0.020 . 2 . . . . A 335 LYS HG3 . 36251 1 441 . 1 . 1 40 40 LYS HD2 H 1 1.578 0.020 . 2 . . . . A 335 LYS HD2 . 36251 1 442 . 1 . 1 40 40 LYS HD3 H 1 1.494 0.020 . 2 . . . . A 335 LYS HD3 . 36251 1 443 . 1 . 1 40 40 LYS HE2 H 1 2.922 0.020 . 2 . . . . A 335 LYS HE2 . 36251 1 444 . 1 . 1 40 40 LYS HE3 H 1 2.863 0.020 . 2 . . . . A 335 LYS HE3 . 36251 1 445 . 1 . 1 40 40 LYS C C 13 174.927 0.400 . 1 . . . . A 335 LYS C . 36251 1 446 . 1 . 1 40 40 LYS CA C 13 53.794 0.400 . 1 . . . . A 335 LYS CA . 36251 1 447 . 1 . 1 40 40 LYS CB C 13 36.117 0.400 . 1 . . . . A 335 LYS CB . 36251 1 448 . 1 . 1 40 40 LYS CG C 13 24.494 0.400 . 1 . . . . A 335 LYS CG . 36251 1 449 . 1 . 1 40 40 LYS CD C 13 28.811 0.400 . 1 . . . . A 335 LYS CD . 36251 1 450 . 1 . 1 40 40 LYS CE C 13 42.317 0.400 . 1 . . . . A 335 LYS CE . 36251 1 451 . 1 . 1 40 40 LYS N N 15 124.005 0.400 . 1 . . . . A 335 LYS N . 36251 1 452 . 1 . 1 41 41 CYS H H 1 8.602 0.020 . 1 . . . . A 336 CYS H . 36251 1 453 . 1 . 1 41 41 CYS HA H 1 4.342 0.020 . 1 . . . . A 336 CYS HA . 36251 1 454 . 1 . 1 41 41 CYS HB2 H 1 3.374 0.020 . 2 . . . . A 336 CYS HB2 . 36251 1 455 . 1 . 1 41 41 CYS HB3 H 1 2.921 0.020 . 2 . . . . A 336 CYS HB3 . 36251 1 456 . 1 . 1 41 41 CYS C C 13 176.451 0.400 . 1 . . . . A 336 CYS C . 36251 1 457 . 1 . 1 41 41 CYS CA C 13 57.416 0.400 . 1 . . . . A 336 CYS CA . 36251 1 458 . 1 . 1 41 41 CYS CB C 13 31.859 0.400 . 1 . . . . A 336 CYS CB . 36251 1 459 . 1 . 1 41 41 CYS N N 15 124.766 0.400 . 1 . . . . A 336 CYS N . 36251 1 460 . 1 . 1 42 42 PRO HA H 1 4.421 0.020 . 1 . . . . A 337 PRO HA . 36251 1 461 . 1 . 1 42 42 PRO HB2 H 1 2.499 0.020 . 2 . . . . A 337 PRO HB2 . 36251 1 462 . 1 . 1 42 42 PRO HB3 H 1 1.875 0.020 . 2 . . . . A 337 PRO HB3 . 36251 1 463 . 1 . 1 42 42 PRO HG2 H 1 2.095 0.020 . 2 . . . . A 337 PRO HG2 . 36251 1 464 . 1 . 1 42 42 PRO HG3 H 1 2.040 0.020 . 2 . . . . A 337 PRO HG3 . 36251 1 465 . 1 . 1 42 42 PRO HD2 H 1 4.399 0.020 . 2 . . . . A 337 PRO HD2 . 36251 1 466 . 1 . 1 42 42 PRO HD3 H 1 4.226 0.020 . 2 . . . . A 337 PRO HD3 . 36251 1 467 . 1 . 1 42 42 PRO C C 13 176.972 0.400 . 1 . . . . A 337 PRO C . 36251 1 468 . 1 . 1 42 42 PRO CA C 13 64.778 0.400 . 1 . . . . A 337 PRO CA . 36251 1 469 . 1 . 1 42 42 PRO CB C 13 32.939 0.400 . 1 . . . . A 337 PRO CB . 36251 1 470 . 1 . 1 42 42 PRO CG C 13 27.356 0.400 . 1 . . . . A 337 PRO CG . 36251 1 471 . 1 . 1 42 42 PRO CD C 13 52.181 0.400 . 1 . . . . A 337 PRO CD . 36251 1 472 . 1 . 1 43 43 ILE H H 1 9.161 0.020 . 1 . . . . A 338 ILE H . 36251 1 473 . 1 . 1 43 43 ILE HA H 1 4.010 0.020 . 1 . . . . A 338 ILE HA . 36251 1 474 . 1 . 1 43 43 ILE HB H 1 1.514 0.020 . 1 . . . . A 338 ILE HB . 36251 1 475 . 1 . 1 43 43 ILE HG12 H 1 1.485 0.020 . 2 . . . . A 338 ILE HG12 . 36251 1 476 . 1 . 1 43 43 ILE HG13 H 1 1.218 0.020 . 2 . . . . A 338 ILE HG13 . 36251 1 477 . 1 . 1 43 43 ILE HG21 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG21 . 36251 1 478 . 1 . 1 43 43 ILE HG22 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG22 . 36251 1 479 . 1 . 1 43 43 ILE HG23 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG23 . 36251 1 480 . 1 . 1 43 43 ILE HD11 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD11 . 36251 1 481 . 1 . 1 43 43 ILE HD12 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD12 . 36251 1 482 . 1 . 1 43 43 ILE HD13 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD13 . 36251 1 483 . 1 . 1 43 43 ILE C C 13 177.287 0.400 . 1 . . . . A 338 ILE C . 36251 1 484 . 1 . 1 43 43 ILE CA C 13 62.009 0.400 . 1 . . . . A 338 ILE CA . 36251 1 485 . 1 . 1 43 43 ILE CB C 13 37.028 0.400 . 1 . . . . A 338 ILE CB . 36251 1 486 . 1 . 1 43 43 ILE CG1 C 13 26.956 0.400 . 1 . . . . A 338 ILE CG1 . 36251 1 487 . 1 . 1 43 43 ILE CG2 C 13 15.906 0.400 . 1 . . . . A 338 ILE CG2 . 36251 1 488 . 1 . 1 43 43 ILE CD1 C 13 10.528 0.400 . 1 . . . . A 338 ILE CD1 . 36251 1 489 . 1 . 1 43 43 ILE N N 15 118.953 0.400 . 1 . . . . A 338 ILE N . 36251 1 490 . 1 . 1 44 44 CYS H H 1 8.114 0.020 . 1 . . . . A 339 CYS H . 36251 1 491 . 1 . 1 44 44 CYS HA H 1 4.995 0.020 . 1 . . . . A 339 CYS HA . 36251 1 492 . 1 . 1 44 44 CYS HB2 H 1 3.477 0.020 . 2 . . . . A 339 CYS HB2 . 36251 1 493 . 1 . 1 44 44 CYS HB3 H 1 2.796 0.020 . 2 . . . . A 339 CYS HB3 . 36251 1 494 . 1 . 1 44 44 CYS C C 13 176.048 0.400 . 1 . . . . A 339 CYS C . 36251 1 495 . 1 . 1 44 44 CYS CA C 13 58.359 0.400 . 1 . . . . A 339 CYS CA . 36251 1 496 . 1 . 1 44 44 CYS CB C 13 33.082 0.400 . 1 . . . . A 339 CYS CB . 36251 1 497 . 1 . 1 44 44 CYS N N 15 117.617 0.400 . 1 . . . . A 339 CYS N . 36251 1 498 . 1 . 1 45 45 ARG H H 1 8.485 0.020 . 1 . . . . A 340 ARG H . 36251 1 499 . 1 . 1 45 45 ARG HA H 1 4.026 0.020 . 1 . . . . A 340 ARG HA . 36251 1 500 . 1 . 1 45 45 ARG HB2 H 1 2.175 0.020 . 2 . . . . A 340 ARG HB2 . 36251 1 501 . 1 . 1 45 45 ARG HB3 H 1 2.066 0.020 . 2 . . . . A 340 ARG HB3 . 36251 1 502 . 1 . 1 45 45 ARG HG2 H 1 1.537 0.020 . 1 . . . . A 340 ARG HG2 . 36251 1 503 . 1 . 1 45 45 ARG HG3 H 1 1.537 0.020 . 1 . . . . A 340 ARG HG3 . 36251 1 504 . 1 . 1 45 45 ARG HD2 H 1 3.193 0.020 . 2 . . . . A 340 ARG HD2 . 36251 1 505 . 1 . 1 45 45 ARG HD3 H 1 3.109 0.020 . 2 . . . . A 340 ARG HD3 . 36251 1 506 . 1 . 1 45 45 ARG C C 13 174.440 0.400 . 1 . . . . A 340 ARG C . 36251 1 507 . 1 . 1 45 45 ARG CA C 13 57.923 0.400 . 1 . . . . A 340 ARG CA . 36251 1 508 . 1 . 1 45 45 ARG CB C 13 26.585 0.400 . 1 . . . . A 340 ARG CB . 36251 1 509 . 1 . 1 45 45 ARG CG C 13 27.350 0.400 . 1 . . . . A 340 ARG CG . 36251 1 510 . 1 . 1 45 45 ARG CD C 13 42.805 0.400 . 1 . . . . A 340 ARG CD . 36251 1 511 . 1 . 1 45 45 ARG N N 15 118.167 0.400 . 1 . . . . A 340 ARG N . 36251 1 512 . 1 . 1 46 46 GLN H H 1 8.207 0.020 . 1 . . . . A 341 GLN H . 36251 1 513 . 1 . 1 46 46 GLN HA H 1 4.374 0.020 . 1 . . . . A 341 GLN HA . 36251 1 514 . 1 . 1 46 46 GLN HB2 H 1 2.246 0.020 . 2 . . . . A 341 GLN HB2 . 36251 1 515 . 1 . 1 46 46 GLN HB3 H 1 2.170 0.020 . 2 . . . . A 341 GLN HB3 . 36251 1 516 . 1 . 1 46 46 GLN HG2 H 1 2.584 0.020 . 1 . . . . A 341 GLN HG2 . 36251 1 517 . 1 . 1 46 46 GLN HG3 H 1 2.584 0.020 . 1 . . . . A 341 GLN HG3 . 36251 1 518 . 1 . 1 46 46 GLN HE21 H 1 7.705 0.020 . 2 . . . . A 341 GLN HE21 . 36251 1 519 . 1 . 1 46 46 GLN HE22 H 1 7.008 0.020 . 2 . . . . A 341 GLN HE22 . 36251 1 520 . 1 . 1 46 46 GLN C C 13 175.904 0.400 . 1 . . . . A 341 GLN C . 36251 1 521 . 1 . 1 46 46 GLN CA C 13 55.989 0.400 . 1 . . . . A 341 GLN CA . 36251 1 522 . 1 . 1 46 46 GLN CB C 13 30.398 0.400 . 1 . . . . A 341 GLN CB . 36251 1 523 . 1 . 1 46 46 GLN CG C 13 35.347 0.400 . 1 . . . . A 341 GLN CG . 36251 1 524 . 1 . 1 46 46 GLN N N 15 119.339 0.400 . 1 . . . . A 341 GLN N . 36251 1 525 . 1 . 1 46 46 GLN NE2 N 15 113.036 0.400 . 1 . . . . A 341 GLN NE2 . 36251 1 526 . 1 . 1 47 47 ALA H H 1 8.613 0.020 . 1 . . . . A 342 ALA H . 36251 1 527 . 1 . 1 47 47 ALA HA H 1 4.304 0.020 . 1 . . . . A 342 ALA HA . 36251 1 528 . 1 . 1 47 47 ALA HB1 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB1 . 36251 1 529 . 1 . 1 47 47 ALA HB2 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB2 . 36251 1 530 . 1 . 1 47 47 ALA HB3 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB3 . 36251 1 531 . 1 . 1 47 47 ALA C C 13 178.092 0.400 . 1 . . . . A 342 ALA C . 36251 1 532 . 1 . 1 47 47 ALA CA C 13 53.044 0.400 . 1 . . . . A 342 ALA CA . 36251 1 533 . 1 . 1 47 47 ALA CB C 13 18.612 0.400 . 1 . . . . A 342 ALA CB . 36251 1 534 . 1 . 1 47 47 ALA N N 15 123.938 0.400 . 1 . . . . A 342 ALA N . 36251 1 535 . 1 . 1 48 48 ILE H H 1 7.999 0.020 . 1 . . . . A 343 ILE H . 36251 1 536 . 1 . 1 48 48 ILE HA H 1 4.373 0.020 . 1 . . . . A 343 ILE HA . 36251 1 537 . 1 . 1 48 48 ILE HB H 1 1.383 0.020 . 1 . . . . A 343 ILE HB . 36251 1 538 . 1 . 1 48 48 ILE HG12 H 1 1.402 0.020 . 2 . . . . A 343 ILE HG12 . 36251 1 539 . 1 . 1 48 48 ILE HG13 H 1 0.260 0.020 . 2 . . . . A 343 ILE HG13 . 36251 1 540 . 1 . 1 48 48 ILE HG21 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG21 . 36251 1 541 . 1 . 1 48 48 ILE HG22 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG22 . 36251 1 542 . 1 . 1 48 48 ILE HG23 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG23 . 36251 1 543 . 1 . 1 48 48 ILE HD11 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD11 . 36251 1 544 . 1 . 1 48 48 ILE HD12 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD12 . 36251 1 545 . 1 . 1 48 48 ILE HD13 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD13 . 36251 1 546 . 1 . 1 48 48 ILE C C 13 177.060 0.400 . 1 . . . . A 343 ILE C . 36251 1 547 . 1 . 1 48 48 ILE CA C 13 60.728 0.400 . 1 . . . . A 343 ILE CA . 36251 1 548 . 1 . 1 48 48 ILE CB C 13 39.224 0.400 . 1 . . . . A 343 ILE CB . 36251 1 549 . 1 . 1 48 48 ILE CG1 C 13 27.179 0.400 . 1 . . . . A 343 ILE CG1 . 36251 1 550 . 1 . 1 48 48 ILE CG2 C 13 18.104 0.400 . 1 . . . . A 343 ILE CG2 . 36251 1 551 . 1 . 1 48 48 ILE CD1 C 13 13.978 0.400 . 1 . . . . A 343 ILE CD1 . 36251 1 552 . 1 . 1 48 48 ILE N N 15 124.887 0.400 . 1 . . . . A 343 ILE N . 36251 1 553 . 1 . 1 49 49 THR H H 1 9.405 0.020 . 1 . . . . A 344 THR H . 36251 1 554 . 1 . 1 49 49 THR HA H 1 4.362 0.020 . 1 . . . . A 344 THR HA . 36251 1 555 . 1 . 1 49 49 THR HB H 1 4.217 0.020 . 1 . . . . A 344 THR HB . 36251 1 556 . 1 . 1 49 49 THR HG21 H 1 1.213 0.020 . 1 . . . . A 344 THR HG21 . 36251 1 557 . 1 . 1 49 49 THR HG22 H 1 1.213 0.020 . 1 . . . . A 344 THR HG22 . 36251 1 558 . 1 . 1 49 49 THR HG23 H 1 1.213 0.020 . 1 . . . . A 344 THR HG23 . 36251 1 559 . 1 . 1 49 49 THR C C 13 174.949 0.400 . 1 . . . . A 344 THR C . 36251 1 560 . 1 . 1 49 49 THR CA C 13 62.881 0.400 . 1 . . . . A 344 THR CA . 36251 1 561 . 1 . 1 49 49 THR CB C 13 69.108 0.400 . 1 . . . . A 344 THR CB . 36251 1 562 . 1 . 1 49 49 THR CG2 C 13 22.604 0.400 . 1 . . . . A 344 THR CG2 . 36251 1 563 . 1 . 1 49 49 THR N N 15 122.460 0.400 . 1 . . . . A 344 THR N . 36251 1 564 . 1 . 1 50 50 ARG H H 1 7.693 0.020 . 1 . . . . A 345 ARG H . 36251 1 565 . 1 . 1 50 50 ARG HA H 1 4.510 0.020 . 1 . . . . A 345 ARG HA . 36251 1 566 . 1 . 1 50 50 ARG HB2 H 1 1.925 0.020 . 2 . . . . A 345 ARG HB2 . 36251 1 567 . 1 . 1 50 50 ARG HB3 H 1 1.705 0.020 . 2 . . . . A 345 ARG HB3 . 36251 1 568 . 1 . 1 50 50 ARG HG2 H 1 1.637 0.020 . 2 . . . . A 345 ARG HG2 . 36251 1 569 . 1 . 1 50 50 ARG HG3 H 1 1.437 0.020 . 2 . . . . A 345 ARG HG3 . 36251 1 570 . 1 . 1 50 50 ARG HD2 H 1 3.176 0.020 . 2 . . . . A 345 ARG HD2 . 36251 1 571 . 1 . 1 50 50 ARG HD3 H 1 3.021 0.020 . 2 . . . . A 345 ARG HD3 . 36251 1 572 . 1 . 1 50 50 ARG C C 13 172.306 0.400 . 1 . . . . A 345 ARG C . 36251 1 573 . 1 . 1 50 50 ARG CA C 13 56.045 0.400 . 1 . . . . A 345 ARG CA . 36251 1 574 . 1 . 1 50 50 ARG CB C 13 33.404 0.400 . 1 . . . . A 345 ARG CB . 36251 1 575 . 1 . 1 50 50 ARG CG C 13 27.232 0.400 . 1 . . . . A 345 ARG CG . 36251 1 576 . 1 . 1 50 50 ARG CD C 13 44.006 0.400 . 1 . . . . A 345 ARG CD . 36251 1 577 . 1 . 1 50 50 ARG N N 15 120.582 0.400 . 1 . . . . A 345 ARG N . 36251 1 578 . 1 . 1 51 51 VAL H H 1 8.342 0.020 . 1 . . . . A 346 VAL H . 36251 1 579 . 1 . 1 51 51 VAL HA H 1 5.104 0.020 . 1 . . . . A 346 VAL HA . 36251 1 580 . 1 . 1 51 51 VAL HB H 1 1.578 0.020 . 1 . . . . A 346 VAL HB . 36251 1 581 . 1 . 1 51 51 VAL HG11 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG11 . 36251 1 582 . 1 . 1 51 51 VAL HG12 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG12 . 36251 1 583 . 1 . 1 51 51 VAL HG13 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG13 . 36251 1 584 . 1 . 1 51 51 VAL HG21 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG21 . 36251 1 585 . 1 . 1 51 51 VAL HG22 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG22 . 36251 1 586 . 1 . 1 51 51 VAL HG23 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG23 . 36251 1 587 . 1 . 1 51 51 VAL C C 13 175.080 0.400 . 1 . . . . A 346 VAL C . 36251 1 588 . 1 . 1 51 51 VAL CA C 13 59.891 0.400 . 1 . . . . A 346 VAL CA . 36251 1 589 . 1 . 1 51 51 VAL CB C 13 34.643 0.400 . 1 . . . . A 346 VAL CB . 36251 1 590 . 1 . 1 51 51 VAL CG1 C 13 20.897 0.400 . 1 . . . . A 346 VAL CG1 . 36251 1 591 . 1 . 1 51 51 VAL CG2 C 13 20.856 0.400 . 1 . . . . A 346 VAL CG2 . 36251 1 592 . 1 . 1 51 51 VAL N N 15 120.128 0.400 . 1 . . . . A 346 VAL N . 36251 1 593 . 1 . 1 52 52 ILE H H 1 8.548 0.020 . 1 . . . . A 347 ILE H . 36251 1 594 . 1 . 1 52 52 ILE HA H 1 4.780 0.020 . 1 . . . . A 347 ILE HA . 36251 1 595 . 1 . 1 52 52 ILE HB H 1 1.727 0.020 . 1 . . . . A 347 ILE HB . 36251 1 596 . 1 . 1 52 52 ILE HG12 H 1 1.269 0.020 . 2 . . . . A 347 ILE HG12 . 36251 1 597 . 1 . 1 52 52 ILE HG13 H 1 1.113 0.020 . 2 . . . . A 347 ILE HG13 . 36251 1 598 . 1 . 1 52 52 ILE HG21 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG21 . 36251 1 599 . 1 . 1 52 52 ILE HG22 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG22 . 36251 1 600 . 1 . 1 52 52 ILE HG23 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG23 . 36251 1 601 . 1 . 1 52 52 ILE HD11 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD11 . 36251 1 602 . 1 . 1 52 52 ILE HD12 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD12 . 36251 1 603 . 1 . 1 52 52 ILE HD13 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD13 . 36251 1 604 . 1 . 1 52 52 ILE C C 13 173.761 0.400 . 1 . . . . A 347 ILE C . 36251 1 605 . 1 . 1 52 52 ILE CA C 13 56.810 0.400 . 1 . . . . A 347 ILE CA . 36251 1 606 . 1 . 1 52 52 ILE CB C 13 40.394 0.400 . 1 . . . . A 347 ILE CB . 36251 1 607 . 1 . 1 52 52 ILE CG1 C 13 26.971 0.400 . 1 . . . . A 347 ILE CG1 . 36251 1 608 . 1 . 1 52 52 ILE CG2 C 13 16.573 0.400 . 1 . . . . A 347 ILE CG2 . 36251 1 609 . 1 . 1 52 52 ILE CD1 C 13 12.823 0.400 . 1 . . . . A 347 ILE CD1 . 36251 1 610 . 1 . 1 52 52 ILE N N 15 125.657 0.400 . 1 . . . . A 347 ILE N . 36251 1 611 . 1 . 1 53 53 PRO HA H 1 4.458 0.020 . 1 . . . . A 348 PRO HA . 36251 1 612 . 1 . 1 53 53 PRO HB2 H 1 2.263 0.020 . 2 . . . . A 348 PRO HB2 . 36251 1 613 . 1 . 1 53 53 PRO HB3 H 1 1.722 0.020 . 2 . . . . A 348 PRO HB3 . 36251 1 614 . 1 . 1 53 53 PRO HG2 H 1 2.152 0.020 . 2 . . . . A 348 PRO HG2 . 36251 1 615 . 1 . 1 53 53 PRO HG3 H 1 1.958 0.020 . 2 . . . . A 348 PRO HG3 . 36251 1 616 . 1 . 1 53 53 PRO HD2 H 1 3.816 0.020 . 1 . . . . A 348 PRO HD2 . 36251 1 617 . 1 . 1 53 53 PRO HD3 H 1 3.816 0.020 . 1 . . . . A 348 PRO HD3 . 36251 1 618 . 1 . 1 53 53 PRO C C 13 175.555 0.400 . 1 . . . . A 348 PRO C . 36251 1 619 . 1 . 1 53 53 PRO CA C 13 62.625 0.400 . 1 . . . . A 348 PRO CA . 36251 1 620 . 1 . 1 53 53 PRO CB C 13 32.259 0.400 . 1 . . . . A 348 PRO CB . 36251 1 621 . 1 . 1 53 53 PRO CG C 13 27.381 0.400 . 1 . . . . A 348 PRO CG . 36251 1 622 . 1 . 1 53 53 PRO CD C 13 51.429 0.400 . 1 . . . . A 348 PRO CD . 36251 1 623 . 1 . 1 54 54 LEU H H 1 7.739 0.020 . 1 . . . . A 349 LEU H . 36251 1 624 . 1 . 1 54 54 LEU HA H 1 4.250 0.020 . 1 . . . . A 349 LEU HA . 36251 1 625 . 1 . 1 54 54 LEU HB2 H 1 1.095 0.020 . 1 . . . . A 349 LEU HB2 . 36251 1 626 . 1 . 1 54 54 LEU HB3 H 1 1.095 0.020 . 1 . . . . A 349 LEU HB3 . 36251 1 627 . 1 . 1 54 54 LEU HG H 1 1.133 0.020 . 1 . . . . A 349 LEU HG . 36251 1 628 . 1 . 1 54 54 LEU HD11 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD11 . 36251 1 629 . 1 . 1 54 54 LEU HD12 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD12 . 36251 1 630 . 1 . 1 54 54 LEU HD13 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD13 . 36251 1 631 . 1 . 1 54 54 LEU HD21 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD21 . 36251 1 632 . 1 . 1 54 54 LEU HD22 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD22 . 36251 1 633 . 1 . 1 54 54 LEU HD23 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD23 . 36251 1 634 . 1 . 1 54 54 LEU C C 13 176.527 0.400 . 1 . . . . A 349 LEU C . 36251 1 635 . 1 . 1 54 54 LEU CA C 13 54.453 0.400 . 1 . . . . A 349 LEU CA . 36251 1 636 . 1 . 1 54 54 LEU CB C 13 43.016 0.400 . 1 . . . . A 349 LEU CB . 36251 1 637 . 1 . 1 54 54 LEU CG C 13 26.884 0.400 . 1 . . . . A 349 LEU CG . 36251 1 638 . 1 . 1 54 54 LEU CD1 C 13 25.064 0.400 . 1 . . . . A 349 LEU CD1 . 36251 1 639 . 1 . 1 54 54 LEU CD2 C 13 24.097 0.400 . 1 . . . . A 349 LEU CD2 . 36251 1 640 . 1 . 1 54 54 LEU N N 15 120.261 0.400 . 1 . . . . A 349 LEU N . 36251 1 641 . 1 . 1 55 55 TYR H H 1 8.165 0.020 . 1 . . . . A 350 TYR H . 36251 1 642 . 1 . 1 55 55 TYR HA H 1 4.714 0.020 . 1 . . . . A 350 TYR HA . 36251 1 643 . 1 . 1 55 55 TYR HB2 H 1 3.161 0.020 . 2 . . . . A 350 TYR HB2 . 36251 1 644 . 1 . 1 55 55 TYR HB3 H 1 2.836 0.020 . 2 . . . . A 350 TYR HB3 . 36251 1 645 . 1 . 1 55 55 TYR HD1 H 1 7.095 0.020 . 1 . . . . A 350 TYR HD1 . 36251 1 646 . 1 . 1 55 55 TYR HD2 H 1 7.095 0.020 . 1 . . . . A 350 TYR HD2 . 36251 1 647 . 1 . 1 55 55 TYR HE1 H 1 6.794 0.020 . 1 . . . . A 350 TYR HE1 . 36251 1 648 . 1 . 1 55 55 TYR HE2 H 1 6.794 0.020 . 1 . . . . A 350 TYR HE2 . 36251 1 649 . 1 . 1 55 55 TYR C C 13 175.309 0.400 . 1 . . . . A 350 TYR C . 36251 1 650 . 1 . 1 55 55 TYR CA C 13 56.856 0.400 . 1 . . . . A 350 TYR CA . 36251 1 651 . 1 . 1 55 55 TYR CB C 13 38.952 0.400 . 1 . . . . A 350 TYR CB . 36251 1 652 . 1 . 1 55 55 TYR N N 15 118.826 0.400 . 1 . . . . A 350 TYR N . 36251 1 653 . 1 . 1 56 56 ASN H H 1 8.528 0.020 . 1 . . . . A 351 ASN H . 36251 1 654 . 1 . 1 56 56 ASN HA H 1 4.818 0.020 . 1 . . . . A 351 ASN HA . 36251 1 655 . 1 . 1 56 56 ASN HB2 H 1 2.755 0.020 . 1 . . . . A 351 ASN HB2 . 36251 1 656 . 1 . 1 56 56 ASN HB3 H 1 2.755 0.020 . 1 . . . . A 351 ASN HB3 . 36251 1 657 . 1 . 1 56 56 ASN HD21 H 1 7.547 0.020 . 2 . . . . A 351 ASN HD21 . 36251 1 658 . 1 . 1 56 56 ASN HD22 H 1 6.812 0.020 . 2 . . . . A 351 ASN HD22 . 36251 1 659 . 1 . 1 56 56 ASN C C 13 174.163 0.400 . 1 . . . . A 351 ASN C . 36251 1 660 . 1 . 1 56 56 ASN CA C 13 53.302 0.400 . 1 . . . . A 351 ASN CA . 36251 1 661 . 1 . 1 56 56 ASN CB C 13 39.369 0.400 . 1 . . . . A 351 ASN CB . 36251 1 662 . 1 . 1 56 56 ASN N N 15 120.620 0.400 . 1 . . . . A 351 ASN N . 36251 1 663 . 1 . 1 56 56 ASN ND2 N 15 112.269 0.400 . 1 . . . . A 351 ASN ND2 . 36251 1 664 . 1 . 1 57 57 SER H H 1 7.905 0.020 . 1 . . . . A 352 SER H . 36251 1 665 . 1 . 1 57 57 SER HA H 1 4.256 0.020 . 1 . . . . A 352 SER HA . 36251 1 666 . 1 . 1 57 57 SER HB2 H 1 3.849 0.020 . 1 . . . . A 352 SER HB2 . 36251 1 667 . 1 . 1 57 57 SER HB3 H 1 3.849 0.020 . 1 . . . . A 352 SER HB3 . 36251 1 668 . 1 . 1 57 57 SER C C 13 178.372 0.400 . 1 . . . . A 352 SER C . 36251 1 669 . 1 . 1 57 57 SER CA C 13 60.121 0.400 . 1 . . . . A 352 SER CA . 36251 1 670 . 1 . 1 57 57 SER CB C 13 65.073 0.400 . 1 . . . . A 352 SER CB . 36251 1 671 . 1 . 1 57 57 SER N N 15 121.317 0.400 . 1 . . . . A 352 SER N . 36251 1 stop_ save_