data_34257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34257 _Entry.Title ; Solution structure of the Ni metallochaperone HypA from Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-07 _Entry.Accession_date 2018-04-07 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34257 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 C. Spronk C. A.E.M. . . 34257 2 S. Zerko S. . . . 34257 3 M. Gorka M. . . . 34257 4 W. Kozminski W. . . . 34257 5 B. Bardiaux B. . . . 34257 6 B. Zambelli B. . . . 34257 7 F. Musiani F. . . . 34257 8 M. Piccioli M. . . . 34257 9 H. Hu H. . . . 34257 10 M. Maroney M. . . . 34257 11 S. Ciurli S. . . . 34257 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 34257 'metallochaperone metal-binding Nickel hydrogenase' . 34257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 34257 '15N chemical shifts' 114 34257 '1H chemical shifts' 813 34257 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-13 2018-04-07 update BMRB 'update entry citation' 34257 1 . . 2018-10-01 2018-04-07 original author 'original release' 34257 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6G81 . 34257 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34257 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30264175 _Citation.Full_citation . _Citation.Title ; Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full 'Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry' _Citation.Journal_volume 23 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1432-1327 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1309 _Citation.Page_last 1330 _Citation.Year 2018 _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 Chris Spronk . . . . 34257 1 2 Szymon Zerko S. . . . 34257 1 3 Michal Gorka M. . . . 34257 1 4 Wiktor Kozminski W. . . . 34257 1 5 Benjamin Bardiaux B. . . . 34257 1 6 Barbara Zambelli B. . . . 34257 1 7 Francesco Musiani F. . . . 34257 1 8 Mario Piccioli M. . . . 34257 1 9 Priyanka Basak P. . . . 34257 1 10 Faith Blum F. C. . . 34257 1 11 Ryan Johnson R. C. . . 34257 1 12 Heidi Hu H. . . . 34257 1 13 'D Scott' Merrell D. S. . . 34257 1 14 Michael Maroney M. . . . 34257 1 15 Stefano Ciurli S. . . . 34257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34257 _Assembly.ID 1 _Assembly.Name 'Hydrogenase maturation factor HypA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34257 1 2 entity_2 2 $entity_ZN B A no . . . . . . 34257 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 disulfide single . 1 . 1 CYS 74 74 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34257 1 2 disulfide single . 1 . 1 CYS 77 77 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34257 1 3 disulfide single . 1 . 1 CYS 91 91 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34257 1 4 disulfide single . 1 . 1 CYS 94 94 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHEYSVVSSLIALCEEHAKK NQAHKIERVVVGIGERSAMD KSLFVSAFETFREESLVCKD AILDIVDEKVELECKDCSHV FKPNALDYGVCEKCHSKNVI ITQGNEMRLLSLEMLAE ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13221.247 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Cys14 and Cys58 are reduced thiols (RSH)' _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 . MET . 34257 1 2 . HIS . 34257 1 3 . GLU . 34257 1 4 . TYR . 34257 1 5 . SER . 34257 1 6 . VAL . 34257 1 7 . VAL . 34257 1 8 . SER . 34257 1 9 . SER . 34257 1 10 . LEU . 34257 1 11 . ILE . 34257 1 12 . ALA . 34257 1 13 . LEU . 34257 1 14 . CYS . 34257 1 15 . GLU . 34257 1 16 . GLU . 34257 1 17 . HIS . 34257 1 18 . ALA . 34257 1 19 . LYS . 34257 1 20 . LYS . 34257 1 21 . ASN . 34257 1 22 . GLN . 34257 1 23 . ALA . 34257 1 24 . HIS . 34257 1 25 . LYS . 34257 1 26 . ILE . 34257 1 27 . GLU . 34257 1 28 . ARG . 34257 1 29 . VAL . 34257 1 30 . VAL . 34257 1 31 . VAL . 34257 1 32 . GLY . 34257 1 33 . ILE . 34257 1 34 . GLY . 34257 1 35 . GLU . 34257 1 36 . ARG . 34257 1 37 . SER . 34257 1 38 . ALA . 34257 1 39 . MET . 34257 1 40 . ASP . 34257 1 41 . LYS . 34257 1 42 . SER . 34257 1 43 . LEU . 34257 1 44 . PHE . 34257 1 45 . VAL . 34257 1 46 . SER . 34257 1 47 . ALA . 34257 1 48 . PHE . 34257 1 49 . GLU . 34257 1 50 . THR . 34257 1 51 . PHE . 34257 1 52 . ARG . 34257 1 53 . GLU . 34257 1 54 . GLU . 34257 1 55 . SER . 34257 1 56 . LEU . 34257 1 57 . VAL . 34257 1 58 . CYS . 34257 1 59 . LYS . 34257 1 60 . ASP . 34257 1 61 . ALA . 34257 1 62 . ILE . 34257 1 63 . LEU . 34257 1 64 . ASP . 34257 1 65 . ILE . 34257 1 66 . VAL . 34257 1 67 . ASP . 34257 1 68 . GLU . 34257 1 69 . LYS . 34257 1 70 . VAL . 34257 1 71 . GLU . 34257 1 72 . LEU . 34257 1 73 . GLU . 34257 1 74 . CYS . 34257 1 75 . LYS . 34257 1 76 . ASP . 34257 1 77 . CYS . 34257 1 78 . SER . 34257 1 79 . HIS . 34257 1 80 . VAL . 34257 1 81 . PHE . 34257 1 82 . LYS . 34257 1 83 . PRO . 34257 1 84 . ASN . 34257 1 85 . ALA . 34257 1 86 . LEU . 34257 1 87 . ASP . 34257 1 88 . TYR . 34257 1 89 . GLY . 34257 1 90 . VAL . 34257 1 91 . CYS . 34257 1 92 . GLU . 34257 1 93 . LYS . 34257 1 94 . CYS . 34257 1 95 . HIS . 34257 1 96 . SER . 34257 1 97 . LYS . 34257 1 98 . ASN . 34257 1 99 . VAL . 34257 1 100 . ILE . 34257 1 101 . ILE . 34257 1 102 . THR . 34257 1 103 . GLN . 34257 1 104 . GLY . 34257 1 105 . ASN . 34257 1 106 . GLU . 34257 1 107 . MET . 34257 1 108 . ARG . 34257 1 109 . LEU . 34257 1 110 . LEU . 34257 1 111 . SER . 34257 1 112 . LEU . 34257 1 113 . GLU . 34257 1 114 . MET . 34257 1 115 . LEU . 34257 1 116 . ALA . 34257 1 117 . GLU . 34257 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34257 1 . HIS 2 2 34257 1 . GLU 3 3 34257 1 . TYR 4 4 34257 1 . SER 5 5 34257 1 . VAL 6 6 34257 1 . VAL 7 7 34257 1 . SER 8 8 34257 1 . SER 9 9 34257 1 . LEU 10 10 34257 1 . ILE 11 11 34257 1 . ALA 12 12 34257 1 . LEU 13 13 34257 1 . CYS 14 14 34257 1 . GLU 15 15 34257 1 . GLU 16 16 34257 1 . HIS 17 17 34257 1 . ALA 18 18 34257 1 . LYS 19 19 34257 1 . LYS 20 20 34257 1 . ASN 21 21 34257 1 . GLN 22 22 34257 1 . ALA 23 23 34257 1 . HIS 24 24 34257 1 . LYS 25 25 34257 1 . ILE 26 26 34257 1 . GLU 27 27 34257 1 . ARG 28 28 34257 1 . VAL 29 29 34257 1 . VAL 30 30 34257 1 . VAL 31 31 34257 1 . GLY 32 32 34257 1 . ILE 33 33 34257 1 . GLY 34 34 34257 1 . GLU 35 35 34257 1 . ARG 36 36 34257 1 . SER 37 37 34257 1 . ALA 38 38 34257 1 . MET 39 39 34257 1 . ASP 40 40 34257 1 . LYS 41 41 34257 1 . SER 42 42 34257 1 . LEU 43 43 34257 1 . PHE 44 44 34257 1 . VAL 45 45 34257 1 . SER 46 46 34257 1 . ALA 47 47 34257 1 . PHE 48 48 34257 1 . GLU 49 49 34257 1 . THR 50 50 34257 1 . PHE 51 51 34257 1 . ARG 52 52 34257 1 . GLU 53 53 34257 1 . GLU 54 54 34257 1 . SER 55 55 34257 1 . LEU 56 56 34257 1 . VAL 57 57 34257 1 . CYS 58 58 34257 1 . LYS 59 59 34257 1 . ASP 60 60 34257 1 . ALA 61 61 34257 1 . ILE 62 62 34257 1 . LEU 63 63 34257 1 . ASP 64 64 34257 1 . ILE 65 65 34257 1 . VAL 66 66 34257 1 . ASP 67 67 34257 1 . GLU 68 68 34257 1 . LYS 69 69 34257 1 . VAL 70 70 34257 1 . GLU 71 71 34257 1 . LEU 72 72 34257 1 . GLU 73 73 34257 1 . CYS 74 74 34257 1 . LYS 75 75 34257 1 . ASP 76 76 34257 1 . CYS 77 77 34257 1 . SER 78 78 34257 1 . HIS 79 79 34257 1 . VAL 80 80 34257 1 . PHE 81 81 34257 1 . LYS 82 82 34257 1 . PRO 83 83 34257 1 . ASN 84 84 34257 1 . ALA 85 85 34257 1 . LEU 86 86 34257 1 . ASP 87 87 34257 1 . TYR 88 88 34257 1 . GLY 89 89 34257 1 . VAL 90 90 34257 1 . CYS 91 91 34257 1 . GLU 92 92 34257 1 . LYS 93 93 34257 1 . CYS 94 94 34257 1 . HIS 95 95 34257 1 . SER 96 96 34257 1 . LYS 97 97 34257 1 . ASN 98 98 34257 1 . VAL 99 99 34257 1 . ILE 100 100 34257 1 . ILE 101 101 34257 1 . THR 102 102 34257 1 . GLN 103 103 34257 1 . GLY 104 104 34257 1 . ASN 105 105 34257 1 . GLU 106 106 34257 1 . MET 107 107 34257 1 . ARG 108 108 34257 1 . LEU 109 109 34257 1 . LEU 110 110 34257 1 . SER 111 111 34257 1 . LEU 112 112 34257 1 . GLU 113 113 34257 1 . MET 114 114 34257 1 . LEU 115 115 34257 1 . ALA 116 116 34257 1 . GLU 117 117 34257 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34257 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _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 . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34257 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34257 2 ZN 'Three letter code' 34257 2 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 1 ZN $chem_comp_ZN 34257 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 34257 _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 . 85963 organism . 'Helicobacter pylori J99' 'Campylobacter pylori J99' . . Bacteria . Helicobacter pylori 'J99 / ATCC 700824' . . . . . . . . . . 'hypA, jhp_0803' . 34257 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 34257 _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' . . 562 Escherichia coli . . . . . . . . . . 34257 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 34257 _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 34257 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34257 ZN [Zn++] SMILES CACTVS 3.341 34257 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34257 ZN [Zn+2] SMILES ACDLabs 10.04 34257 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34257 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34257 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 34257 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34257 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 . 34257 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34257 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] HypA, 20 mM HEPES, 200 mM sodium chloride, 1 mM TCEP, 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 HypA '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34257 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34257 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34257 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34257 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 34257 _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' 0.2 . M 34257 1 pH 7.2 . pH 34257 1 pressure 1 . atm 34257 1 temperature 298 . K 34257 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34257 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34257 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34257 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34257 _Software.ID 2 _Software.Type . _Software.Name SSA_software_package _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Stanek, Kosinski, Kozminski' . . 34257 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34257 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34257 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34257 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34257 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34257 _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 . . 34257 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34257 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34257 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34257 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34257 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34257 _Software.ID 6 _Software.Type . _Software.Name YARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bardiaux, Krieger, Spronk' . . 34257 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34257 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34257 _Software.ID 7 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34257 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34257 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34257 _Software.ID 8 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Biosciences' . . 34257 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34257 8 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 34257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34257 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34257 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DDR2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34257 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DDR2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34257 _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 . 900 . . . 34257 1 2 NMR_spectrometer_2 Bruker Avance . 950 . . . 34257 1 3 NMR_spectrometer_3 Agilent DDR2 . 800 . . . 34257 1 4 NMR_spectrometer_4 Agilent DDR2 . 600 . . . 34257 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34257 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34257 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 12 '3D HBCB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 13 '3D HBCB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34257 1 15 '4D 13C(ali)-HMQC-NOESY-13C(aro)-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 17 '4D 13C(ali)-HMQC-NOESY-13C(ali)-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 18 '4D 13C-HMQC-NOESY-15N-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34257 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34257 _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 0.000 internal indirect 0.25144953 . . . . . 34257 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34257 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34257 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 34257 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34257 1 2 '3D HNCO' . . . 34257 1 3 '3D HNCACB' . . . 34257 1 4 '3D HBHA(CO)NH' . . . 34257 1 5 '3D HCCH-TOCSY' . . . 34257 1 6 '3D HN(CA)CO' . . . 34257 1 7 '3D CBCA(CO)NH' . . . 34257 1 8 '3D HBHANH' . . . 34257 1 9 '2D 1H-13C HSQC aromatic' . . . 34257 1 10 '2D (HB)CB(CGCD)HD' . . . 34257 1 11 '2D (HB)CB(CGCDCE)HE' . . . 34257 1 12 '3D HBCB(CGCD)HD' . . . 34257 1 13 '3D HBCB(CGCDCE)HE' . . . 34257 1 14 '3D 1H-13C NOESY aromatic' . . . 34257 1 15 '4D 13C(ali)-HMQC-NOESY-13C(aro)-HSQC' . . . 34257 1 16 '3D 1H-15N NOESY' . . . 34257 1 17 '4D 13C(ali)-HMQC-NOESY-13C(ali)-HMQC' . . . 34257 1 18 '4D 13C-HMQC-NOESY-15N-HSQC' . . . 34257 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.082 0.000 . 1 . . . . A 1 MET HA . 34257 1 2 . 1 1 1 1 MET HB2 H 1 1.889 0.000 . 2 . . . . A 1 MET HB2 . 34257 1 3 . 1 1 1 1 MET HB3 H 1 1.849 0.000 . 2 . . . . A 1 MET HB3 . 34257 1 4 . 1 1 1 1 MET HG2 H 1 2.367 0.000 . 1 . . . . A 1 MET HG2 . 34257 1 5 . 1 1 1 1 MET HG3 H 1 2.367 0.000 . 1 . . . . A 1 MET HG3 . 34257 1 6 . 1 1 1 1 MET HE1 H 1 2.061 0.000 . 1 . . . . A 1 MET HE1 . 34257 1 7 . 1 1 1 1 MET HE2 H 1 2.061 0.000 . 1 . . . . A 1 MET HE2 . 34257 1 8 . 1 1 1 1 MET HE3 H 1 2.061 0.000 . 1 . . . . A 1 MET HE3 . 34257 1 9 . 1 1 1 1 MET CA C 13 55.505 0.000 . 1 . . . . A 1 MET CA . 34257 1 10 . 1 1 1 1 MET CB C 13 33.826 0.000 . 1 . . . . A 1 MET CB . 34257 1 11 . 1 1 1 1 MET CG C 13 31.056 0.000 . 1 . . . . A 1 MET CG . 34257 1 12 . 1 1 1 1 MET CE C 13 16.745 0.000 . 1 . . . . A 1 MET CE . 34257 1 13 . 1 1 2 2 HIS HA H 1 4.646 0.000 . 1 . . . . A 2 HIS HA . 34257 1 14 . 1 1 2 2 HIS HB2 H 1 3.360 0.000 . 2 . . . . A 2 HIS HB2 . 34257 1 15 . 1 1 2 2 HIS HB3 H 1 3.328 0.000 . 2 . . . . A 2 HIS HB3 . 34257 1 16 . 1 1 2 2 HIS HD2 H 1 7.028 0.000 . 1 . . . . A 2 HIS HD2 . 34257 1 17 . 1 1 2 2 HIS C C 13 176.340 0.000 . 1 . . . . A 2 HIS C . 34257 1 18 . 1 1 2 2 HIS CA C 13 57.543 0.000 . 1 . . . . A 2 HIS CA . 34257 1 19 . 1 1 2 2 HIS CB C 13 29.120 0.000 . 1 . . . . A 2 HIS CB . 34257 1 20 . 1 1 2 2 HIS CD2 C 13 119.432 0.000 . 1 . . . . A 2 HIS CD2 . 34257 1 21 . 1 1 3 3 GLU H H 1 9.944 0.000 . 1 . . . . A 3 GLU H . 34257 1 22 . 1 1 3 3 GLU HA H 1 3.844 0.000 . 1 . . . . A 3 GLU HA . 34257 1 23 . 1 1 3 3 GLU HB2 H 1 2.075 0.000 . 2 . . . . A 3 GLU HB2 . 34257 1 24 . 1 1 3 3 GLU HB3 H 1 1.554 0.000 . 2 . . . . A 3 GLU HB3 . 34257 1 25 . 1 1 3 3 GLU HG2 H 1 2.903 0.000 . 2 . . . . A 3 GLU HG2 . 34257 1 26 . 1 1 3 3 GLU HG3 H 1 2.409 0.000 . 2 . . . . A 3 GLU HG3 . 34257 1 27 . 1 1 3 3 GLU C C 13 177.820 0.000 . 1 . . . . A 3 GLU C . 34257 1 28 . 1 1 3 3 GLU CA C 13 62.926 0.000 . 1 . . . . A 3 GLU CA . 34257 1 29 . 1 1 3 3 GLU CB C 13 28.737 0.000 . 1 . . . . A 3 GLU CB . 34257 1 30 . 1 1 3 3 GLU CG C 13 38.658 0.000 . 1 . . . . A 3 GLU CG . 34257 1 31 . 1 1 3 3 GLU N N 15 120.261 0.000 . 1 . . . . A 3 GLU N . 34257 1 32 . 1 1 4 4 TYR H H 1 8.322 0.000 . 1 . . . . A 4 TYR H . 34257 1 33 . 1 1 4 4 TYR HA H 1 4.043 0.000 . 1 . . . . A 4 TYR HA . 34257 1 34 . 1 1 4 4 TYR HB2 H 1 3.224 0.000 . 2 . . . . A 4 TYR HB2 . 34257 1 35 . 1 1 4 4 TYR HB3 H 1 3.164 0.000 . 2 . . . . A 4 TYR HB3 . 34257 1 36 . 1 1 4 4 TYR HD1 H 1 7.124 0.000 . 1 . . . . A 4 TYR HD1 . 34257 1 37 . 1 1 4 4 TYR HD2 H 1 7.124 0.000 . 1 . . . . A 4 TYR HD2 . 34257 1 38 . 1 1 4 4 TYR HE1 H 1 6.796 0.000 . 1 . . . . A 4 TYR HE1 . 34257 1 39 . 1 1 4 4 TYR HE2 H 1 6.796 0.000 . 1 . . . . A 4 TYR HE2 . 34257 1 40 . 1 1 4 4 TYR C C 13 177.930 0.000 . 1 . . . . A 4 TYR C . 34257 1 41 . 1 1 4 4 TYR CA C 13 61.651 0.000 . 1 . . . . A 4 TYR CA . 34257 1 42 . 1 1 4 4 TYR CB C 13 37.013 0.000 . 1 . . . . A 4 TYR CB . 34257 1 43 . 1 1 4 4 TYR CD1 C 13 132.609 0.000 . 1 . . . . A 4 TYR CD1 . 34257 1 44 . 1 1 4 4 TYR CD2 C 13 132.609 0.000 . 1 . . . . A 4 TYR CD2 . 34257 1 45 . 1 1 4 4 TYR CE1 C 13 118.229 0.000 . 1 . . . . A 4 TYR CE1 . 34257 1 46 . 1 1 4 4 TYR CE2 C 13 118.229 0.000 . 1 . . . . A 4 TYR CE2 . 34257 1 47 . 1 1 4 4 TYR N N 15 116.359 0.000 . 1 . . . . A 4 TYR N . 34257 1 48 . 1 1 5 5 SER H H 1 7.917 0.000 . 1 . . . . A 5 SER H . 34257 1 49 . 1 1 5 5 SER HA H 1 4.267 0.000 . 1 . . . . A 5 SER HA . 34257 1 50 . 1 1 5 5 SER HB2 H 1 4.030 0.000 . 1 . . . . A 5 SER HB2 . 34257 1 51 . 1 1 5 5 SER HB3 H 1 4.030 0.000 . 1 . . . . A 5 SER HB3 . 34257 1 52 . 1 1 5 5 SER C C 13 177.230 0.000 . 1 . . . . A 5 SER C . 34257 1 53 . 1 1 5 5 SER CA C 13 61.303 0.000 . 1 . . . . A 5 SER CA . 34257 1 54 . 1 1 5 5 SER CB C 13 62.536 0.000 . 1 . . . . A 5 SER CB . 34257 1 55 . 1 1 5 5 SER N N 15 115.990 0.000 . 1 . . . . A 5 SER N . 34257 1 56 . 1 1 6 6 VAL H H 1 8.229 0.000 . 1 . . . . A 6 VAL H . 34257 1 57 . 1 1 6 6 VAL HA H 1 3.831 0.000 . 1 . . . . A 6 VAL HA . 34257 1 58 . 1 1 6 6 VAL HB H 1 2.228 0.000 . 1 . . . . A 6 VAL HB . 34257 1 59 . 1 1 6 6 VAL HG11 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG11 . 34257 1 60 . 1 1 6 6 VAL HG12 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG12 . 34257 1 61 . 1 1 6 6 VAL HG13 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG13 . 34257 1 62 . 1 1 6 6 VAL HG21 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG21 . 34257 1 63 . 1 1 6 6 VAL HG22 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG22 . 34257 1 64 . 1 1 6 6 VAL HG23 H 1 1.137 0.000 . 1 . . . . A 6 VAL HG23 . 34257 1 65 . 1 1 6 6 VAL C C 13 179.020 0.000 . 1 . . . . A 6 VAL C . 34257 1 66 . 1 1 6 6 VAL CA C 13 66.192 0.000 . 1 . . . . A 6 VAL CA . 34257 1 67 . 1 1 6 6 VAL CB C 13 31.819 0.000 . 1 . . . . A 6 VAL CB . 34257 1 68 . 1 1 6 6 VAL CG1 C 13 22.752 0.000 . 1 . . . . A 6 VAL CG1 . 34257 1 69 . 1 1 6 6 VAL CG2 C 13 22.752 0.000 . 1 . . . . A 6 VAL CG2 . 34257 1 70 . 1 1 6 6 VAL N N 15 122.906 0.000 . 1 . . . . A 6 VAL N . 34257 1 71 . 1 1 7 7 VAL H H 1 8.428 0.000 . 1 . . . . A 7 VAL H . 34257 1 72 . 1 1 7 7 VAL HA H 1 3.523 0.000 . 1 . . . . A 7 VAL HA . 34257 1 73 . 1 1 7 7 VAL HB H 1 1.940 0.000 . 1 . . . . A 7 VAL HB . 34257 1 74 . 1 1 7 7 VAL HG11 H 1 0.757 0.000 . 2 . . . . A 7 VAL HG11 . 34257 1 75 . 1 1 7 7 VAL HG12 H 1 0.757 0.000 . 2 . . . . A 7 VAL HG12 . 34257 1 76 . 1 1 7 7 VAL HG13 H 1 0.757 0.000 . 2 . . . . A 7 VAL HG13 . 34257 1 77 . 1 1 7 7 VAL HG21 H 1 0.549 0.000 . 2 . . . . A 7 VAL HG21 . 34257 1 78 . 1 1 7 7 VAL HG22 H 1 0.549 0.000 . 2 . . . . A 7 VAL HG22 . 34257 1 79 . 1 1 7 7 VAL HG23 H 1 0.549 0.000 . 2 . . . . A 7 VAL HG23 . 34257 1 80 . 1 1 7 7 VAL C C 13 177.360 0.000 . 1 . . . . A 7 VAL C . 34257 1 81 . 1 1 7 7 VAL CA C 13 67.253 0.000 . 1 . . . . A 7 VAL CA . 34257 1 82 . 1 1 7 7 VAL CB C 13 30.743 0.000 . 1 . . . . A 7 VAL CB . 34257 1 83 . 1 1 7 7 VAL CG1 C 13 24.290 0.000 . 2 . . . . A 7 VAL CG1 . 34257 1 84 . 1 1 7 7 VAL CG2 C 13 22.455 0.000 . 2 . . . . A 7 VAL CG2 . 34257 1 85 . 1 1 7 7 VAL N N 15 121.183 0.000 . 1 . . . . A 7 VAL N . 34257 1 86 . 1 1 8 8 SER H H 1 8.152 0.000 . 1 . . . . A 8 SER H . 34257 1 87 . 1 1 8 8 SER HA H 1 3.779 0.000 . 1 . . . . A 8 SER HA . 34257 1 88 . 1 1 8 8 SER HB2 H 1 3.752 0.000 . 1 . . . . A 8 SER HB2 . 34257 1 89 . 1 1 8 8 SER HB3 H 1 3.752 0.000 . 1 . . . . A 8 SER HB3 . 34257 1 90 . 1 1 8 8 SER C C 13 177.810 0.000 . 1 . . . . A 8 SER C . 34257 1 91 . 1 1 8 8 SER CA C 13 62.162 0.000 . 1 . . . . A 8 SER CA . 34257 1 92 . 1 1 8 8 SER CB C 13 62.132 0.000 . 1 . . . . A 8 SER CB . 34257 1 93 . 1 1 8 8 SER N N 15 115.827 0.000 . 1 . . . . A 8 SER N . 34257 1 94 . 1 1 9 9 SER H H 1 7.850 0.000 . 1 . . . . A 9 SER H . 34257 1 95 . 1 1 9 9 SER HA H 1 4.315 0.000 . 1 . . . . A 9 SER HA . 34257 1 96 . 1 1 9 9 SER HB2 H 1 4.080 0.000 . 1 . . . . A 9 SER HB2 . 34257 1 97 . 1 1 9 9 SER HB3 H 1 4.080 0.000 . 1 . . . . A 9 SER HB3 . 34257 1 98 . 1 1 9 9 SER C C 13 176.180 0.000 . 1 . . . . A 9 SER C . 34257 1 99 . 1 1 9 9 SER CA C 13 61.731 0.000 . 1 . . . . A 9 SER CA . 34257 1 100 . 1 1 9 9 SER CB C 13 62.525 0.000 . 1 . . . . A 9 SER CB . 34257 1 101 . 1 1 9 9 SER N N 15 117.863 0.000 . 1 . . . . A 9 SER N . 34257 1 102 . 1 1 10 10 LEU H H 1 8.267 0.000 . 1 . . . . A 10 LEU H . 34257 1 103 . 1 1 10 10 LEU HA H 1 4.328 0.000 . 1 . . . . A 10 LEU HA . 34257 1 104 . 1 1 10 10 LEU HB2 H 1 2.409 0.000 . 2 . . . . A 10 LEU HB2 . 34257 1 105 . 1 1 10 10 LEU HB3 H 1 1.672 0.000 . 2 . . . . A 10 LEU HB3 . 34257 1 106 . 1 1 10 10 LEU HG H 1 1.623 0.000 . 1 . . . . A 10 LEU HG . 34257 1 107 . 1 1 10 10 LEU HD11 H 1 1.041 0.000 . 2 . . . . A 10 LEU HD11 . 34257 1 108 . 1 1 10 10 LEU HD12 H 1 1.041 0.000 . 2 . . . . A 10 LEU HD12 . 34257 1 109 . 1 1 10 10 LEU HD13 H 1 1.041 0.000 . 2 . . . . A 10 LEU HD13 . 34257 1 110 . 1 1 10 10 LEU HD21 H 1 0.957 0.000 . 2 . . . . A 10 LEU HD21 . 34257 1 111 . 1 1 10 10 LEU HD22 H 1 0.957 0.000 . 2 . . . . A 10 LEU HD22 . 34257 1 112 . 1 1 10 10 LEU HD23 H 1 0.957 0.000 . 2 . . . . A 10 LEU HD23 . 34257 1 113 . 1 1 10 10 LEU C C 13 178.680 0.000 . 1 . . . . A 10 LEU C . 34257 1 114 . 1 1 10 10 LEU CA C 13 57.847 0.000 . 1 . . . . A 10 LEU CA . 34257 1 115 . 1 1 10 10 LEU CB C 13 41.908 0.000 . 1 . . . . A 10 LEU CB . 34257 1 116 . 1 1 10 10 LEU CG C 13 27.852 0.000 . 1 . . . . A 10 LEU CG . 34257 1 117 . 1 1 10 10 LEU CD1 C 13 23.248 0.000 . 2 . . . . A 10 LEU CD1 . 34257 1 118 . 1 1 10 10 LEU CD2 C 13 26.782 0.000 . 2 . . . . A 10 LEU CD2 . 34257 1 119 . 1 1 10 10 LEU N N 15 125.598 0.000 . 1 . . . . A 10 LEU N . 34257 1 120 . 1 1 11 11 ILE H H 1 8.693 0.000 . 1 . . . . A 11 ILE H . 34257 1 121 . 1 1 11 11 ILE HA H 1 3.670 0.000 . 1 . . . . A 11 ILE HA . 34257 1 122 . 1 1 11 11 ILE HB H 1 1.949 0.000 . 1 . . . . A 11 ILE HB . 34257 1 123 . 1 1 11 11 ILE HG12 H 1 1.537 0.000 . 2 . . . . A 11 ILE HG12 . 34257 1 124 . 1 1 11 11 ILE HG13 H 1 1.228 0.000 . 2 . . . . A 11 ILE HG13 . 34257 1 125 . 1 1 11 11 ILE HG21 H 1 0.892 0.000 . 1 . . . . A 11 ILE HG21 . 34257 1 126 . 1 1 11 11 ILE HG22 H 1 0.892 0.000 . 1 . . . . A 11 ILE HG22 . 34257 1 127 . 1 1 11 11 ILE HG23 H 1 0.892 0.000 . 1 . . . . A 11 ILE HG23 . 34257 1 128 . 1 1 11 11 ILE HD11 H 1 0.531 0.000 . 1 . . . . A 11 ILE HD11 . 34257 1 129 . 1 1 11 11 ILE HD12 H 1 0.531 0.000 . 1 . . . . A 11 ILE HD12 . 34257 1 130 . 1 1 11 11 ILE HD13 H 1 0.531 0.000 . 1 . . . . A 11 ILE HD13 . 34257 1 131 . 1 1 11 11 ILE C C 13 177.530 0.000 . 1 . . . . A 11 ILE C . 34257 1 132 . 1 1 11 11 ILE CA C 13 65.020 0.000 . 1 . . . . A 11 ILE CA . 34257 1 133 . 1 1 11 11 ILE CB C 13 36.673 0.000 . 1 . . . . A 11 ILE CB . 34257 1 134 . 1 1 11 11 ILE CG1 C 13 29.569 0.000 . 1 . . . . A 11 ILE CG1 . 34257 1 135 . 1 1 11 11 ILE CG2 C 13 16.668 0.000 . 1 . . . . A 11 ILE CG2 . 34257 1 136 . 1 1 11 11 ILE CD1 C 13 11.914 0.000 . 1 . . . . A 11 ILE CD1 . 34257 1 137 . 1 1 11 11 ILE N N 15 121.341 0.000 . 1 . . . . A 11 ILE N . 34257 1 138 . 1 1 12 12 ALA H H 1 7.621 0.000 . 1 . . . . A 12 ALA H . 34257 1 139 . 1 1 12 12 ALA HA H 1 4.226 0.000 . 1 . . . . A 12 ALA HA . 34257 1 140 . 1 1 12 12 ALA HB1 H 1 1.539 0.000 . 1 . . . . A 12 ALA HB1 . 34257 1 141 . 1 1 12 12 ALA HB2 H 1 1.539 0.000 . 1 . . . . A 12 ALA HB2 . 34257 1 142 . 1 1 12 12 ALA HB3 H 1 1.539 0.000 . 1 . . . . A 12 ALA HB3 . 34257 1 143 . 1 1 12 12 ALA C C 13 180.620 0.000 . 1 . . . . A 12 ALA C . 34257 1 144 . 1 1 12 12 ALA CA C 13 55.395 0.000 . 1 . . . . A 12 ALA CA . 34257 1 145 . 1 1 12 12 ALA CB C 13 17.652 0.000 . 1 . . . . A 12 ALA CB . 34257 1 146 . 1 1 12 12 ALA N N 15 121.286 0.000 . 1 . . . . A 12 ALA N . 34257 1 147 . 1 1 13 13 LEU H H 1 8.059 0.000 . 1 . . . . A 13 LEU H . 34257 1 148 . 1 1 13 13 LEU HA H 1 4.242 0.000 . 1 . . . . A 13 LEU HA . 34257 1 149 . 1 1 13 13 LEU HB2 H 1 2.047 0.000 . 2 . . . . A 13 LEU HB2 . 34257 1 150 . 1 1 13 13 LEU HB3 H 1 1.906 0.000 . 2 . . . . A 13 LEU HB3 . 34257 1 151 . 1 1 13 13 LEU HG H 1 1.690 0.000 . 1 . . . . A 13 LEU HG . 34257 1 152 . 1 1 13 13 LEU HD11 H 1 0.970 0.000 . 2 . . . . A 13 LEU HD11 . 34257 1 153 . 1 1 13 13 LEU HD12 H 1 0.970 0.000 . 2 . . . . A 13 LEU HD12 . 34257 1 154 . 1 1 13 13 LEU HD13 H 1 0.970 0.000 . 2 . . . . A 13 LEU HD13 . 34257 1 155 . 1 1 13 13 LEU HD21 H 1 0.987 0.000 . 2 . . . . A 13 LEU HD21 . 34257 1 156 . 1 1 13 13 LEU HD22 H 1 0.987 0.000 . 2 . . . . A 13 LEU HD22 . 34257 1 157 . 1 1 13 13 LEU HD23 H 1 0.987 0.000 . 2 . . . . A 13 LEU HD23 . 34257 1 158 . 1 1 13 13 LEU C C 13 179.680 0.000 . 1 . . . . A 13 LEU C . 34257 1 159 . 1 1 13 13 LEU CA C 13 58.080 0.000 . 1 . . . . A 13 LEU CA . 34257 1 160 . 1 1 13 13 LEU CB C 13 42.248 0.000 . 1 . . . . A 13 LEU CB . 34257 1 161 . 1 1 13 13 LEU CG C 13 26.917 0.000 . 1 . . . . A 13 LEU CG . 34257 1 162 . 1 1 13 13 LEU CD1 C 13 24.143 0.000 . 2 . . . . A 13 LEU CD1 . 34257 1 163 . 1 1 13 13 LEU CD2 C 13 25.332 0.000 . 2 . . . . A 13 LEU CD2 . 34257 1 164 . 1 1 13 13 LEU N N 15 121.409 0.000 . 1 . . . . A 13 LEU N . 34257 1 165 . 1 1 14 14 CYS H H 1 8.609 0.000 . 1 . . . . A 14 CYS H . 34257 1 166 . 1 1 14 14 CYS HA H 1 3.957 0.000 . 1 . . . . A 14 CYS HA . 34257 1 167 . 1 1 14 14 CYS HB2 H 1 3.408 0.000 . 2 . . . . A 14 CYS HB2 . 34257 1 168 . 1 1 14 14 CYS HB3 H 1 2.433 0.000 . 2 . . . . A 14 CYS HB3 . 34257 1 169 . 1 1 14 14 CYS C C 13 176.960 0.000 . 1 . . . . A 14 CYS C . 34257 1 170 . 1 1 14 14 CYS CA C 13 64.894 0.000 . 1 . . . . A 14 CYS CA . 34257 1 171 . 1 1 14 14 CYS CB C 13 26.856 0.000 . 1 . . . . A 14 CYS CB . 34257 1 172 . 1 1 14 14 CYS N N 15 118.943 0.000 . 1 . . . . A 14 CYS N . 34257 1 173 . 1 1 15 15 GLU H H 1 8.554 0.000 . 1 . . . . A 15 GLU H . 34257 1 174 . 1 1 15 15 GLU HA H 1 3.817 0.000 . 1 . . . . A 15 GLU HA . 34257 1 175 . 1 1 15 15 GLU HB2 H 1 2.313 0.000 . 2 . . . . A 15 GLU HB2 . 34257 1 176 . 1 1 15 15 GLU HB3 H 1 2.006 0.000 . 2 . . . . A 15 GLU HB3 . 34257 1 177 . 1 1 15 15 GLU HG2 H 1 2.656 0.000 . 2 . . . . A 15 GLU HG2 . 34257 1 178 . 1 1 15 15 GLU HG3 H 1 2.022 0.000 . 2 . . . . A 15 GLU HG3 . 34257 1 179 . 1 1 15 15 GLU C C 13 179.240 0.000 . 1 . . . . A 15 GLU C . 34257 1 180 . 1 1 15 15 GLU CA C 13 60.194 0.000 . 1 . . . . A 15 GLU CA . 34257 1 181 . 1 1 15 15 GLU CB C 13 29.087 0.000 . 1 . . . . A 15 GLU CB . 34257 1 182 . 1 1 15 15 GLU CG C 13 37.456 0.000 . 1 . . . . A 15 GLU CG . 34257 1 183 . 1 1 15 15 GLU N N 15 118.396 0.000 . 1 . . . . A 15 GLU N . 34257 1 184 . 1 1 16 16 GLU H H 1 8.144 0.000 . 1 . . . . A 16 GLU H . 34257 1 185 . 1 1 16 16 GLU HA H 1 4.124 0.000 . 1 . . . . A 16 GLU HA . 34257 1 186 . 1 1 16 16 GLU HB2 H 1 2.224 0.000 . 1 . . . . A 16 GLU HB2 . 34257 1 187 . 1 1 16 16 GLU HB3 H 1 2.224 0.000 . 1 . . . . A 16 GLU HB3 . 34257 1 188 . 1 1 16 16 GLU HG2 H 1 2.335 0.000 . 2 . . . . A 16 GLU HG2 . 34257 1 189 . 1 1 16 16 GLU HG3 H 1 2.236 0.000 . 2 . . . . A 16 GLU HG3 . 34257 1 190 . 1 1 16 16 GLU C C 13 179.200 0.000 . 1 . . . . A 16 GLU C . 34257 1 191 . 1 1 16 16 GLU CA C 13 59.490 0.000 . 1 . . . . A 16 GLU CA . 34257 1 192 . 1 1 16 16 GLU CB C 13 29.275 0.000 . 1 . . . . A 16 GLU CB . 34257 1 193 . 1 1 16 16 GLU CG C 13 35.982 0.000 . 1 . . . . A 16 GLU CG . 34257 1 194 . 1 1 16 16 GLU N N 15 121.571 0.000 . 1 . . . . A 16 GLU N . 34257 1 195 . 1 1 17 17 HIS H H 1 8.405 0.000 . 1 . . . . A 17 HIS H . 34257 1 196 . 1 1 17 17 HIS HA H 1 4.193 0.000 . 1 . . . . A 17 HIS HA . 34257 1 197 . 1 1 17 17 HIS HB2 H 1 3.123 0.000 . 2 . . . . A 17 HIS HB2 . 34257 1 198 . 1 1 17 17 HIS HB3 H 1 2.912 0.000 . 2 . . . . A 17 HIS HB3 . 34257 1 199 . 1 1 17 17 HIS HD2 H 1 6.856 0.000 . 1 . . . . A 17 HIS HD2 . 34257 1 200 . 1 1 17 17 HIS C C 13 178.940 0.000 . 1 . . . . A 17 HIS C . 34257 1 201 . 1 1 17 17 HIS CA C 13 60.310 0.000 . 1 . . . . A 17 HIS CA . 34257 1 202 . 1 1 17 17 HIS CB C 13 31.225 0.000 . 1 . . . . A 17 HIS CB . 34257 1 203 . 1 1 17 17 HIS CD2 C 13 118.573 0.000 . 1 . . . . A 17 HIS CD2 . 34257 1 204 . 1 1 17 17 HIS N N 15 119.725 0.000 . 1 . . . . A 17 HIS N . 34257 1 205 . 1 1 18 18 ALA H H 1 8.553 0.000 . 1 . . . . A 18 ALA H . 34257 1 206 . 1 1 18 18 ALA HA H 1 4.139 0.000 . 1 . . . . A 18 ALA HA . 34257 1 207 . 1 1 18 18 ALA HB1 H 1 1.454 0.000 . 1 . . . . A 18 ALA HB1 . 34257 1 208 . 1 1 18 18 ALA HB2 H 1 1.454 0.000 . 1 . . . . A 18 ALA HB2 . 34257 1 209 . 1 1 18 18 ALA HB3 H 1 1.454 0.000 . 1 . . . . A 18 ALA HB3 . 34257 1 210 . 1 1 18 18 ALA C C 13 179.320 0.000 . 1 . . . . A 18 ALA C . 34257 1 211 . 1 1 18 18 ALA CA C 13 55.615 0.000 . 1 . . . . A 18 ALA CA . 34257 1 212 . 1 1 18 18 ALA CB C 13 17.600 0.000 . 1 . . . . A 18 ALA CB . 34257 1 213 . 1 1 18 18 ALA N N 15 122.231 0.000 . 1 . . . . A 18 ALA N . 34257 1 214 . 1 1 19 19 LYS H H 1 8.032 0.000 . 1 . . . . A 19 LYS H . 34257 1 215 . 1 1 19 19 LYS HA H 1 4.135 0.000 . 1 . . . . A 19 LYS HA . 34257 1 216 . 1 1 19 19 LYS HB2 H 1 1.998 0.000 . 1 . . . . A 19 LYS HB2 . 34257 1 217 . 1 1 19 19 LYS HB3 H 1 1.998 0.000 . 1 . . . . A 19 LYS HB3 . 34257 1 218 . 1 1 19 19 LYS HG2 H 1 1.611 0.000 . 2 . . . . A 19 LYS HG2 . 34257 1 219 . 1 1 19 19 LYS HG3 H 1 1.467 0.000 . 2 . . . . A 19 LYS HG3 . 34257 1 220 . 1 1 19 19 LYS HD2 H 1 1.736 0.000 . 1 . . . . A 19 LYS HD2 . 34257 1 221 . 1 1 19 19 LYS HD3 H 1 1.736 0.000 . 1 . . . . A 19 LYS HD3 . 34257 1 222 . 1 1 19 19 LYS HE2 H 1 2.977 0.000 . 1 . . . . A 19 LYS HE2 . 34257 1 223 . 1 1 19 19 LYS HE3 H 1 2.977 0.000 . 1 . . . . A 19 LYS HE3 . 34257 1 224 . 1 1 19 19 LYS C C 13 180.680 0.000 . 1 . . . . A 19 LYS C . 34257 1 225 . 1 1 19 19 LYS CA C 13 59.455 0.000 . 1 . . . . A 19 LYS CA . 34257 1 226 . 1 1 19 19 LYS CB C 13 32.192 0.000 . 1 . . . . A 19 LYS CB . 34257 1 227 . 1 1 19 19 LYS CG C 13 25.039 0.000 . 1 . . . . A 19 LYS CG . 34257 1 228 . 1 1 19 19 LYS CD C 13 29.231 0.000 . 1 . . . . A 19 LYS CD . 34257 1 229 . 1 1 19 19 LYS CE C 13 41.868 0.000 . 1 . . . . A 19 LYS CE . 34257 1 230 . 1 1 19 19 LYS N N 15 118.599 0.000 . 1 . . . . A 19 LYS N . 34257 1 231 . 1 1 20 20 LYS H H 1 8.081 0.000 . 1 . . . . A 20 LYS H . 34257 1 232 . 1 1 20 20 LYS HA H 1 4.101 0.000 . 1 . . . . A 20 LYS HA . 34257 1 233 . 1 1 20 20 LYS HB2 H 1 1.905 0.000 . 1 . . . . A 20 LYS HB2 . 34257 1 234 . 1 1 20 20 LYS HB3 H 1 1.905 0.000 . 1 . . . . A 20 LYS HB3 . 34257 1 235 . 1 1 20 20 LYS HG2 H 1 1.565 0.000 . 2 . . . . A 20 LYS HG2 . 34257 1 236 . 1 1 20 20 LYS HG3 H 1 1.496 0.000 . 2 . . . . A 20 LYS HG3 . 34257 1 237 . 1 1 20 20 LYS HD2 H 1 1.646 0.000 . 1 . . . . A 20 LYS HD2 . 34257 1 238 . 1 1 20 20 LYS HD3 H 1 1.646 0.000 . 1 . . . . A 20 LYS HD3 . 34257 1 239 . 1 1 20 20 LYS HE2 H 1 2.928 0.000 . 1 . . . . A 20 LYS HE2 . 34257 1 240 . 1 1 20 20 LYS HE3 H 1 2.928 0.000 . 1 . . . . A 20 LYS HE3 . 34257 1 241 . 1 1 20 20 LYS C C 13 177.160 0.000 . 1 . . . . A 20 LYS C . 34257 1 242 . 1 1 20 20 LYS CA C 13 58.745 0.000 . 1 . . . . A 20 LYS CA . 34257 1 243 . 1 1 20 20 LYS CB C 13 32.375 0.000 . 1 . . . . A 20 LYS CB . 34257 1 244 . 1 1 20 20 LYS CG C 13 25.116 0.000 . 1 . . . . A 20 LYS CG . 34257 1 245 . 1 1 20 20 LYS CD C 13 29.125 0.000 . 1 . . . . A 20 LYS CD . 34257 1 246 . 1 1 20 20 LYS CE C 13 41.825 0.000 . 1 . . . . A 20 LYS CE . 34257 1 247 . 1 1 20 20 LYS N N 15 119.453 0.000 . 1 . . . . A 20 LYS N . 34257 1 248 . 1 1 21 21 ASN H H 1 7.465 0.000 . 1 . . . . A 21 ASN H . 34257 1 249 . 1 1 21 21 ASN HA H 1 4.736 0.000 . 1 . . . . A 21 ASN HA . 34257 1 250 . 1 1 21 21 ASN HB2 H 1 2.861 0.000 . 2 . . . . A 21 ASN HB2 . 34257 1 251 . 1 1 21 21 ASN HB3 H 1 2.524 0.000 . 2 . . . . A 21 ASN HB3 . 34257 1 252 . 1 1 21 21 ASN C C 13 173.010 0.000 . 1 . . . . A 21 ASN C . 34257 1 253 . 1 1 21 21 ASN CA C 13 53.384 0.000 . 1 . . . . A 21 ASN CA . 34257 1 254 . 1 1 21 21 ASN CB C 13 40.055 0.000 . 1 . . . . A 21 ASN CB . 34257 1 255 . 1 1 21 21 ASN N N 15 115.248 0.000 . 1 . . . . A 21 ASN N . 34257 1 256 . 1 1 22 22 GLN H H 1 7.880 0.000 . 1 . . . . A 22 GLN H . 34257 1 257 . 1 1 22 22 GLN HA H 1 3.930 0.000 . 1 . . . . A 22 GLN HA . 34257 1 258 . 1 1 22 22 GLN HB2 H 1 2.246 0.000 . 1 . . . . A 22 GLN HB2 . 34257 1 259 . 1 1 22 22 GLN HB3 H 1 2.246 0.000 . 1 . . . . A 22 GLN HB3 . 34257 1 260 . 1 1 22 22 GLN HG2 H 1 2.325 0.000 . 1 . . . . A 22 GLN HG2 . 34257 1 261 . 1 1 22 22 GLN HG3 H 1 2.325 0.000 . 1 . . . . A 22 GLN HG3 . 34257 1 262 . 1 1 22 22 GLN C C 13 174.190 0.000 . 1 . . . . A 22 GLN C . 34257 1 263 . 1 1 22 22 GLN CA C 13 56.943 0.000 . 1 . . . . A 22 GLN CA . 34257 1 264 . 1 1 22 22 GLN CB C 13 26.335 0.000 . 1 . . . . A 22 GLN CB . 34257 1 265 . 1 1 22 22 GLN CG C 13 34.482 0.000 . 1 . . . . A 22 GLN CG . 34257 1 266 . 1 1 22 22 GLN N N 15 116.154 0.000 . 1 . . . . A 22 GLN N . 34257 1 267 . 1 1 23 23 ALA H H 1 8.478 0.000 . 1 . . . . A 23 ALA H . 34257 1 268 . 1 1 23 23 ALA HA H 1 4.591 0.000 . 1 . . . . A 23 ALA HA . 34257 1 269 . 1 1 23 23 ALA HB1 H 1 1.340 0.000 . 1 . . . . A 23 ALA HB1 . 34257 1 270 . 1 1 23 23 ALA HB2 H 1 1.340 0.000 . 1 . . . . A 23 ALA HB2 . 34257 1 271 . 1 1 23 23 ALA HB3 H 1 1.340 0.000 . 1 . . . . A 23 ALA HB3 . 34257 1 272 . 1 1 23 23 ALA C C 13 176.750 0.000 . 1 . . . . A 23 ALA C . 34257 1 273 . 1 1 23 23 ALA CA C 13 51.212 0.000 . 1 . . . . A 23 ALA CA . 34257 1 274 . 1 1 23 23 ALA CB C 13 21.274 0.000 . 1 . . . . A 23 ALA CB . 34257 1 275 . 1 1 23 23 ALA N N 15 120.385 0.000 . 1 . . . . A 23 ALA N . 34257 1 276 . 1 1 24 24 HIS H H 1 8.473 0.000 . 1 . . . . A 24 HIS H . 34257 1 277 . 1 1 24 24 HIS HA H 1 4.731 0.000 . 1 . . . . A 24 HIS HA . 34257 1 278 . 1 1 24 24 HIS HB2 H 1 3.154 0.000 . 1 . . . . A 24 HIS HB2 . 34257 1 279 . 1 1 24 24 HIS HB3 H 1 3.154 0.000 . 1 . . . . A 24 HIS HB3 . 34257 1 280 . 1 1 24 24 HIS HD2 H 1 7.035 0.000 . 1 . . . . A 24 HIS HD2 . 34257 1 281 . 1 1 24 24 HIS C C 13 174.800 0.000 . 1 . . . . A 24 HIS C . 34257 1 282 . 1 1 24 24 HIS CA C 13 56.190 0.000 . 1 . . . . A 24 HIS CA . 34257 1 283 . 1 1 24 24 HIS CB C 13 31.433 0.000 . 1 . . . . A 24 HIS CB . 34257 1 284 . 1 1 24 24 HIS CD2 C 13 119.590 0.000 . 1 . . . . A 24 HIS CD2 . 34257 1 285 . 1 1 24 24 HIS N N 15 117.522 0.000 . 1 . . . . A 24 HIS N . 34257 1 286 . 1 1 25 25 LYS H H 1 7.563 0.000 . 1 . . . . A 25 LYS H . 34257 1 287 . 1 1 25 25 LYS HA H 1 4.778 0.000 . 1 . . . . A 25 LYS HA . 34257 1 288 . 1 1 25 25 LYS HB2 H 1 1.732 0.000 . 1 . . . . A 25 LYS HB2 . 34257 1 289 . 1 1 25 25 LYS HB3 H 1 1.732 0.000 . 1 . . . . A 25 LYS HB3 . 34257 1 290 . 1 1 25 25 LYS HG2 H 1 1.388 0.000 . 2 . . . . A 25 LYS HG2 . 34257 1 291 . 1 1 25 25 LYS HG3 H 1 1.245 0.000 . 2 . . . . A 25 LYS HG3 . 34257 1 292 . 1 1 25 25 LYS HD2 H 1 1.717 0.000 . 1 . . . . A 25 LYS HD2 . 34257 1 293 . 1 1 25 25 LYS HD3 H 1 1.717 0.000 . 1 . . . . A 25 LYS HD3 . 34257 1 294 . 1 1 25 25 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 25 LYS HE2 . 34257 1 295 . 1 1 25 25 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 25 LYS HE3 . 34257 1 296 . 1 1 25 25 LYS C C 13 174.540 0.000 . 1 . . . . A 25 LYS C . 34257 1 297 . 1 1 25 25 LYS CA C 13 55.780 0.000 . 1 . . . . A 25 LYS CA . 34257 1 298 . 1 1 25 25 LYS CB C 13 36.731 0.000 . 1 . . . . A 25 LYS CB . 34257 1 299 . 1 1 25 25 LYS CG C 13 24.962 0.000 . 1 . . . . A 25 LYS CG . 34257 1 300 . 1 1 25 25 LYS CD C 13 29.261 0.000 . 1 . . . . A 25 LYS CD . 34257 1 301 . 1 1 25 25 LYS CE C 13 41.900 0.000 . 1 . . . . A 25 LYS CE . 34257 1 302 . 1 1 25 25 LYS N N 15 116.199 0.000 . 1 . . . . A 25 LYS N . 34257 1 303 . 1 1 26 26 ILE H H 1 8.289 0.000 . 1 . . . . A 26 ILE H . 34257 1 304 . 1 1 26 26 ILE HA H 1 4.330 0.000 . 1 . . . . A 26 ILE HA . 34257 1 305 . 1 1 26 26 ILE HB H 1 1.822 0.000 . 1 . . . . A 26 ILE HB . 34257 1 306 . 1 1 26 26 ILE HG12 H 1 1.410 0.000 . 2 . . . . A 26 ILE HG12 . 34257 1 307 . 1 1 26 26 ILE HG13 H 1 0.823 0.000 . 2 . . . . A 26 ILE HG13 . 34257 1 308 . 1 1 26 26 ILE HG21 H 1 0.860 0.000 . 1 . . . . A 26 ILE HG21 . 34257 1 309 . 1 1 26 26 ILE HG22 H 1 0.860 0.000 . 1 . . . . A 26 ILE HG22 . 34257 1 310 . 1 1 26 26 ILE HG23 H 1 0.860 0.000 . 1 . . . . A 26 ILE HG23 . 34257 1 311 . 1 1 26 26 ILE HD11 H 1 0.847 0.000 . 1 . . . . A 26 ILE HD11 . 34257 1 312 . 1 1 26 26 ILE HD12 H 1 0.847 0.000 . 1 . . . . A 26 ILE HD12 . 34257 1 313 . 1 1 26 26 ILE HD13 H 1 0.847 0.000 . 1 . . . . A 26 ILE HD13 . 34257 1 314 . 1 1 26 26 ILE C C 13 174.570 0.000 . 1 . . . . A 26 ILE C . 34257 1 315 . 1 1 26 26 ILE CA C 13 60.298 0.000 . 1 . . . . A 26 ILE CA . 34257 1 316 . 1 1 26 26 ILE CB C 13 38.828 0.000 . 1 . . . . A 26 ILE CB . 34257 1 317 . 1 1 26 26 ILE CG1 C 13 28.167 0.000 . 1 . . . . A 26 ILE CG1 . 34257 1 318 . 1 1 26 26 ILE CG2 C 13 18.746 0.000 . 1 . . . . A 26 ILE CG2 . 34257 1 319 . 1 1 26 26 ILE CD1 C 13 14.071 0.000 . 1 . . . . A 26 ILE CD1 . 34257 1 320 . 1 1 26 26 ILE N N 15 122.931 0.000 . 1 . . . . A 26 ILE N . 34257 1 321 . 1 1 27 27 GLU H H 1 8.985 0.000 . 1 . . . . A 27 GLU H . 34257 1 322 . 1 1 27 27 GLU HA H 1 4.449 0.000 . 1 . . . . A 27 GLU HA . 34257 1 323 . 1 1 27 27 GLU HB2 H 1 1.951 0.000 . 2 . . . . A 27 GLU HB2 . 34257 1 324 . 1 1 27 27 GLU HB3 H 1 1.811 0.000 . 2 . . . . A 27 GLU HB3 . 34257 1 325 . 1 1 27 27 GLU HG2 H 1 2.156 0.000 . 2 . . . . A 27 GLU HG2 . 34257 1 326 . 1 1 27 27 GLU HG3 H 1 2.031 0.000 . 2 . . . . A 27 GLU HG3 . 34257 1 327 . 1 1 27 27 GLU C C 13 177.020 0.000 . 1 . . . . A 27 GLU C . 34257 1 328 . 1 1 27 27 GLU CA C 13 57.284 0.000 . 1 . . . . A 27 GLU CA . 34257 1 329 . 1 1 27 27 GLU CB C 13 31.778 0.000 . 1 . . . . A 27 GLU CB . 34257 1 330 . 1 1 27 27 GLU CG C 13 36.698 0.000 . 1 . . . . A 27 GLU CG . 34257 1 331 . 1 1 27 27 GLU N N 15 125.830 0.000 . 1 . . . . A 27 GLU N . 34257 1 332 . 1 1 28 28 ARG H H 1 7.631 0.000 . 1 . . . . A 28 ARG H . 34257 1 333 . 1 1 28 28 ARG HA H 1 5.295 0.000 . 1 . . . . A 28 ARG HA . 34257 1 334 . 1 1 28 28 ARG HB2 H 1 1.738 0.000 . 2 . . . . A 28 ARG HB2 . 34257 1 335 . 1 1 28 28 ARG HB3 H 1 1.531 0.000 . 2 . . . . A 28 ARG HB3 . 34257 1 336 . 1 1 28 28 ARG HG2 H 1 1.453 0.000 . 2 . . . . A 28 ARG HG2 . 34257 1 337 . 1 1 28 28 ARG HG3 H 1 1.228 0.000 . 2 . . . . A 28 ARG HG3 . 34257 1 338 . 1 1 28 28 ARG HD2 H 1 3.184 0.000 . 2 . . . . A 28 ARG HD2 . 34257 1 339 . 1 1 28 28 ARG HD3 H 1 3.002 0.000 . 2 . . . . A 28 ARG HD3 . 34257 1 340 . 1 1 28 28 ARG C C 13 172.690 0.000 . 1 . . . . A 28 ARG C . 34257 1 341 . 1 1 28 28 ARG CA C 13 55.383 0.000 . 1 . . . . A 28 ARG CA . 34257 1 342 . 1 1 28 28 ARG CB C 13 34.758 0.000 . 1 . . . . A 28 ARG CB . 34257 1 343 . 1 1 28 28 ARG CG C 13 27.811 0.000 . 1 . . . . A 28 ARG CG . 34257 1 344 . 1 1 28 28 ARG CD C 13 42.961 0.000 . 1 . . . . A 28 ARG CD . 34257 1 345 . 1 1 28 28 ARG N N 15 119.423 0.000 . 1 . . . . A 28 ARG N . 34257 1 346 . 1 1 29 29 VAL H H 1 9.221 0.000 . 1 . . . . A 29 VAL H . 34257 1 347 . 1 1 29 29 VAL HA H 1 4.416 0.000 . 1 . . . . A 29 VAL HA . 34257 1 348 . 1 1 29 29 VAL HB H 1 1.854 0.000 . 1 . . . . A 29 VAL HB . 34257 1 349 . 1 1 29 29 VAL HG11 H 1 0.776 0.000 . 2 . . . . A 29 VAL HG11 . 34257 1 350 . 1 1 29 29 VAL HG12 H 1 0.776 0.000 . 2 . . . . A 29 VAL HG12 . 34257 1 351 . 1 1 29 29 VAL HG13 H 1 0.776 0.000 . 2 . . . . A 29 VAL HG13 . 34257 1 352 . 1 1 29 29 VAL HG21 H 1 0.943 0.000 . 2 . . . . A 29 VAL HG21 . 34257 1 353 . 1 1 29 29 VAL HG22 H 1 0.943 0.000 . 2 . . . . A 29 VAL HG22 . 34257 1 354 . 1 1 29 29 VAL HG23 H 1 0.943 0.000 . 2 . . . . A 29 VAL HG23 . 34257 1 355 . 1 1 29 29 VAL C C 13 172.740 0.000 . 1 . . . . A 29 VAL C . 34257 1 356 . 1 1 29 29 VAL CA C 13 60.780 0.000 . 1 . . . . A 29 VAL CA . 34257 1 357 . 1 1 29 29 VAL CB C 13 34.439 0.000 . 1 . . . . A 29 VAL CB . 34257 1 358 . 1 1 29 29 VAL CG1 C 13 21.784 0.000 . 2 . . . . A 29 VAL CG1 . 34257 1 359 . 1 1 29 29 VAL CG2 C 13 21.187 0.000 . 2 . . . . A 29 VAL CG2 . 34257 1 360 . 1 1 29 29 VAL N N 15 127.382 0.000 . 1 . . . . A 29 VAL N . 34257 1 361 . 1 1 30 30 VAL H H 1 8.640 0.000 . 1 . . . . A 30 VAL H . 34257 1 362 . 1 1 30 30 VAL HA H 1 5.044 0.000 . 1 . . . . A 30 VAL HA . 34257 1 363 . 1 1 30 30 VAL HB H 1 2.044 0.000 . 1 . . . . A 30 VAL HB . 34257 1 364 . 1 1 30 30 VAL HG11 H 1 0.789 0.000 . 2 . . . . A 30 VAL HG11 . 34257 1 365 . 1 1 30 30 VAL HG12 H 1 0.789 0.000 . 2 . . . . A 30 VAL HG12 . 34257 1 366 . 1 1 30 30 VAL HG13 H 1 0.789 0.000 . 2 . . . . A 30 VAL HG13 . 34257 1 367 . 1 1 30 30 VAL HG21 H 1 0.785 0.000 . 2 . . . . A 30 VAL HG21 . 34257 1 368 . 1 1 30 30 VAL HG22 H 1 0.785 0.000 . 2 . . . . A 30 VAL HG22 . 34257 1 369 . 1 1 30 30 VAL HG23 H 1 0.785 0.000 . 2 . . . . A 30 VAL HG23 . 34257 1 370 . 1 1 30 30 VAL C C 13 176.000 0.000 . 1 . . . . A 30 VAL C . 34257 1 371 . 1 1 30 30 VAL CA C 13 60.766 0.000 . 1 . . . . A 30 VAL CA . 34257 1 372 . 1 1 30 30 VAL CB C 13 31.936 0.000 . 1 . . . . A 30 VAL CB . 34257 1 373 . 1 1 30 30 VAL CG1 C 13 20.339 0.000 . 2 . . . . A 30 VAL CG1 . 34257 1 374 . 1 1 30 30 VAL CG2 C 13 21.448 0.000 . 2 . . . . A 30 VAL CG2 . 34257 1 375 . 1 1 30 30 VAL N N 15 126.576 0.000 . 1 . . . . A 30 VAL N . 34257 1 376 . 1 1 31 31 VAL H H 1 8.786 0.000 . 1 . . . . A 31 VAL H . 34257 1 377 . 1 1 31 31 VAL HA H 1 4.938 0.000 . 1 . . . . A 31 VAL HA . 34257 1 378 . 1 1 31 31 VAL HB H 1 1.893 0.000 . 1 . . . . A 31 VAL HB . 34257 1 379 . 1 1 31 31 VAL HG11 H 1 0.782 0.000 . 2 . . . . A 31 VAL HG11 . 34257 1 380 . 1 1 31 31 VAL HG12 H 1 0.782 0.000 . 2 . . . . A 31 VAL HG12 . 34257 1 381 . 1 1 31 31 VAL HG13 H 1 0.782 0.000 . 2 . . . . A 31 VAL HG13 . 34257 1 382 . 1 1 31 31 VAL HG21 H 1 0.822 0.000 . 2 . . . . A 31 VAL HG21 . 34257 1 383 . 1 1 31 31 VAL HG22 H 1 0.822 0.000 . 2 . . . . A 31 VAL HG22 . 34257 1 384 . 1 1 31 31 VAL HG23 H 1 0.822 0.000 . 2 . . . . A 31 VAL HG23 . 34257 1 385 . 1 1 31 31 VAL C C 13 173.420 0.000 . 1 . . . . A 31 VAL C . 34257 1 386 . 1 1 31 31 VAL CA C 13 58.718 0.000 . 1 . . . . A 31 VAL CA . 34257 1 387 . 1 1 31 31 VAL CB C 13 35.094 0.000 . 1 . . . . A 31 VAL CB . 34257 1 388 . 1 1 31 31 VAL CG1 C 13 22.488 0.000 . 2 . . . . A 31 VAL CG1 . 34257 1 389 . 1 1 31 31 VAL CG2 C 13 21.225 0.000 . 2 . . . . A 31 VAL CG2 . 34257 1 390 . 1 1 31 31 VAL N N 15 122.447 0.000 . 1 . . . . A 31 VAL N . 34257 1 391 . 1 1 32 32 GLY H H 1 9.539 0.000 . 1 . . . . A 32 GLY H . 34257 1 392 . 1 1 32 32 GLY HA2 H 1 3.405 0.000 . 1 . . . . A 32 GLY HA2 . 34257 1 393 . 1 1 32 32 GLY HA3 H 1 3.405 0.000 . 1 . . . . A 32 GLY HA3 . 34257 1 394 . 1 1 32 32 GLY C C 13 173.440 0.000 . 1 . . . . A 32 GLY C . 34257 1 395 . 1 1 32 32 GLY CA C 13 43.908 0.000 . 1 . . . . A 32 GLY CA . 34257 1 396 . 1 1 32 32 GLY N N 15 112.059 0.000 . 1 . . . . A 32 GLY N . 34257 1 397 . 1 1 33 33 ILE H H 1 8.744 0.000 . 1 . . . . A 33 ILE H . 34257 1 398 . 1 1 33 33 ILE HA H 1 4.300 0.000 . 1 . . . . A 33 ILE HA . 34257 1 399 . 1 1 33 33 ILE HB H 1 1.465 0.000 . 1 . . . . A 33 ILE HB . 34257 1 400 . 1 1 33 33 ILE HG12 H 1 1.202 0.000 . 2 . . . . A 33 ILE HG12 . 34257 1 401 . 1 1 33 33 ILE HG13 H 1 0.600 0.000 . 2 . . . . A 33 ILE HG13 . 34257 1 402 . 1 1 33 33 ILE HG21 H 1 0.702 0.000 . 1 . . . . A 33 ILE HG21 . 34257 1 403 . 1 1 33 33 ILE HG22 H 1 0.702 0.000 . 1 . . . . A 33 ILE HG22 . 34257 1 404 . 1 1 33 33 ILE HG23 H 1 0.702 0.000 . 1 . . . . A 33 ILE HG23 . 34257 1 405 . 1 1 33 33 ILE HD11 H 1 0.094 0.000 . 1 . . . . A 33 ILE HD11 . 34257 1 406 . 1 1 33 33 ILE HD12 H 1 0.094 0.000 . 1 . . . . A 33 ILE HD12 . 34257 1 407 . 1 1 33 33 ILE HD13 H 1 0.094 0.000 . 1 . . . . A 33 ILE HD13 . 34257 1 408 . 1 1 33 33 ILE C C 13 176.680 0.000 . 1 . . . . A 33 ILE C . 34257 1 409 . 1 1 33 33 ILE CA C 13 60.182 0.000 . 1 . . . . A 33 ILE CA . 34257 1 410 . 1 1 33 33 ILE CB C 13 39.102 0.000 . 1 . . . . A 33 ILE CB . 34257 1 411 . 1 1 33 33 ILE CG1 C 13 28.144 0.000 . 1 . . . . A 33 ILE CG1 . 34257 1 412 . 1 1 33 33 ILE CG2 C 13 17.087 0.000 . 1 . . . . A 33 ILE CG2 . 34257 1 413 . 1 1 33 33 ILE CD1 C 13 12.033 0.000 . 1 . . . . A 33 ILE CD1 . 34257 1 414 . 1 1 33 33 ILE N N 15 123.822 0.000 . 1 . . . . A 33 ILE N . 34257 1 415 . 1 1 34 34 GLY H H 1 8.386 0.000 . 1 . . . . A 34 GLY H . 34257 1 416 . 1 1 34 34 GLY HA2 H 1 3.307 0.000 . 1 . . . . A 34 GLY HA2 . 34257 1 417 . 1 1 34 34 GLY HA3 H 1 3.307 0.000 . 1 . . . . A 34 GLY HA3 . 34257 1 418 . 1 1 34 34 GLY C C 13 175.770 0.000 . 1 . . . . A 34 GLY C . 34257 1 419 . 1 1 34 34 GLY CA C 13 46.313 0.000 . 1 . . . . A 34 GLY CA . 34257 1 420 . 1 1 34 34 GLY N N 15 117.215 0.000 . 1 . . . . A 34 GLY N . 34257 1 421 . 1 1 35 35 GLU H H 1 8.769 0.000 . 1 . . . . A 35 GLU H . 34257 1 422 . 1 1 35 35 GLU HA H 1 4.296 0.000 . 1 . . . . A 35 GLU HA . 34257 1 423 . 1 1 35 35 GLU HB2 H 1 2.207 0.000 . 2 . . . . A 35 GLU HB2 . 34257 1 424 . 1 1 35 35 GLU HB3 H 1 2.040 0.000 . 2 . . . . A 35 GLU HB3 . 34257 1 425 . 1 1 35 35 GLU HG2 H 1 2.430 0.000 . 2 . . . . A 35 GLU HG2 . 34257 1 426 . 1 1 35 35 GLU HG3 H 1 2.260 0.000 . 2 . . . . A 35 GLU HG3 . 34257 1 427 . 1 1 35 35 GLU C C 13 177.070 0.000 . 1 . . . . A 35 GLU C . 34257 1 428 . 1 1 35 35 GLU CA C 13 58.518 0.000 . 1 . . . . A 35 GLU CA . 34257 1 429 . 1 1 35 35 GLU CB C 13 29.889 0.000 . 1 . . . . A 35 GLU CB . 34257 1 430 . 1 1 35 35 GLU CG C 13 36.254 0.000 . 1 . . . . A 35 GLU CG . 34257 1 431 . 1 1 35 35 GLU N N 15 124.480 0.000 . 1 . . . . A 35 GLU N . 34257 1 432 . 1 1 36 36 ARG H H 1 8.486 0.000 . 1 . . . . A 36 ARG H . 34257 1 433 . 1 1 36 36 ARG HA H 1 4.640 0.000 . 1 . . . . A 36 ARG HA . 34257 1 434 . 1 1 36 36 ARG HB2 H 1 2.134 0.000 . 2 . . . . A 36 ARG HB2 . 34257 1 435 . 1 1 36 36 ARG HB3 H 1 1.594 0.000 . 2 . . . . A 36 ARG HB3 . 34257 1 436 . 1 1 36 36 ARG HG2 H 1 1.637 0.000 . 2 . . . . A 36 ARG HG2 . 34257 1 437 . 1 1 36 36 ARG HG3 H 1 1.580 0.000 . 2 . . . . A 36 ARG HG3 . 34257 1 438 . 1 1 36 36 ARG HD2 H 1 3.147 0.000 . 1 . . . . A 36 ARG HD2 . 34257 1 439 . 1 1 36 36 ARG HD3 H 1 3.147 0.000 . 1 . . . . A 36 ARG HD3 . 34257 1 440 . 1 1 36 36 ARG C C 13 176.170 0.000 . 1 . . . . A 36 ARG C . 34257 1 441 . 1 1 36 36 ARG CA C 13 54.716 0.000 . 1 . . . . A 36 ARG CA . 34257 1 442 . 1 1 36 36 ARG CB C 13 29.621 0.000 . 1 . . . . A 36 ARG CB . 34257 1 443 . 1 1 36 36 ARG CG C 13 27.760 0.000 . 1 . . . . A 36 ARG CG . 34257 1 444 . 1 1 36 36 ARG CD C 13 43.010 0.000 . 1 . . . . A 36 ARG CD . 34257 1 445 . 1 1 36 36 ARG N N 15 117.290 0.000 . 1 . . . . A 36 ARG N . 34257 1 446 . 1 1 37 37 SER H H 1 7.591 0.000 . 1 . . . . A 37 SER H . 34257 1 447 . 1 1 37 37 SER HA H 1 4.145 0.000 . 1 . . . . A 37 SER HA . 34257 1 448 . 1 1 37 37 SER HB2 H 1 3.838 0.000 . 2 . . . . A 37 SER HB2 . 34257 1 449 . 1 1 37 37 SER HB3 H 1 3.614 0.000 . 2 . . . . A 37 SER HB3 . 34257 1 450 . 1 1 37 37 SER C C 13 174.640 0.000 . 1 . . . . A 37 SER C . 34257 1 451 . 1 1 37 37 SER CA C 13 59.602 0.000 . 1 . . . . A 37 SER CA . 34257 1 452 . 1 1 37 37 SER CB C 13 64.176 0.000 . 1 . . . . A 37 SER CB . 34257 1 453 . 1 1 37 37 SER N N 15 114.980 0.000 . 1 . . . . A 37 SER N . 34257 1 454 . 1 1 38 38 ALA H H 1 8.660 0.000 . 1 . . . . A 38 ALA H . 34257 1 455 . 1 1 38 38 ALA HA H 1 4.237 0.000 . 1 . . . . A 38 ALA HA . 34257 1 456 . 1 1 38 38 ALA HB1 H 1 1.467 0.000 . 1 . . . . A 38 ALA HB1 . 34257 1 457 . 1 1 38 38 ALA HB2 H 1 1.467 0.000 . 1 . . . . A 38 ALA HB2 . 34257 1 458 . 1 1 38 38 ALA HB3 H 1 1.467 0.000 . 1 . . . . A 38 ALA HB3 . 34257 1 459 . 1 1 38 38 ALA C C 13 176.890 0.000 . 1 . . . . A 38 ALA C . 34257 1 460 . 1 1 38 38 ALA CA C 13 52.486 0.000 . 1 . . . . A 38 ALA CA . 34257 1 461 . 1 1 38 38 ALA CB C 13 17.710 0.000 . 1 . . . . A 38 ALA CB . 34257 1 462 . 1 1 38 38 ALA N N 15 125.361 0.000 . 1 . . . . A 38 ALA N . 34257 1 463 . 1 1 39 39 MET H H 1 7.771 0.000 . 1 . . . . A 39 MET H . 34257 1 464 . 1 1 39 39 MET HA H 1 4.462 0.000 . 1 . . . . A 39 MET HA . 34257 1 465 . 1 1 39 39 MET HB2 H 1 2.003 0.000 . 2 . . . . A 39 MET HB2 . 34257 1 466 . 1 1 39 39 MET HB3 H 1 1.699 0.000 . 2 . . . . A 39 MET HB3 . 34257 1 467 . 1 1 39 39 MET HG2 H 1 2.530 0.000 . 2 . . . . A 39 MET HG2 . 34257 1 468 . 1 1 39 39 MET HG3 H 1 2.475 0.000 . 2 . . . . A 39 MET HG3 . 34257 1 469 . 1 1 39 39 MET HE1 H 1 1.940 0.000 . 1 . . . . A 39 MET HE1 . 34257 1 470 . 1 1 39 39 MET HE2 H 1 1.940 0.000 . 1 . . . . A 39 MET HE2 . 34257 1 471 . 1 1 39 39 MET HE3 H 1 1.940 0.000 . 1 . . . . A 39 MET HE3 . 34257 1 472 . 1 1 39 39 MET C C 13 174.800 0.000 . 1 . . . . A 39 MET C . 34257 1 473 . 1 1 39 39 MET CA C 13 55.732 0.000 . 1 . . . . A 39 MET CA . 34257 1 474 . 1 1 39 39 MET CB C 13 35.117 0.000 . 1 . . . . A 39 MET CB . 34257 1 475 . 1 1 39 39 MET CG C 13 32.213 0.000 . 1 . . . . A 39 MET CG . 34257 1 476 . 1 1 39 39 MET CE C 13 17.621 0.000 . 1 . . . . A 39 MET CE . 34257 1 477 . 1 1 39 39 MET N N 15 117.697 0.000 . 1 . . . . A 39 MET N . 34257 1 478 . 1 1 40 40 ASP H H 1 9.778 0.000 . 1 . . . . A 40 ASP H . 34257 1 479 . 1 1 40 40 ASP HA H 1 4.712 0.000 . 1 . . . . A 40 ASP HA . 34257 1 480 . 1 1 40 40 ASP HB2 H 1 2.878 0.000 . 2 . . . . A 40 ASP HB2 . 34257 1 481 . 1 1 40 40 ASP HB3 H 1 2.564 0.000 . 2 . . . . A 40 ASP HB3 . 34257 1 482 . 1 1 40 40 ASP C C 13 176.880 0.000 . 1 . . . . A 40 ASP C . 34257 1 483 . 1 1 40 40 ASP CA C 13 52.862 0.000 . 1 . . . . A 40 ASP CA . 34257 1 484 . 1 1 40 40 ASP CB C 13 41.813 0.000 . 1 . . . . A 40 ASP CB . 34257 1 485 . 1 1 40 40 ASP N N 15 125.730 0.000 . 1 . . . . A 40 ASP N . 34257 1 486 . 1 1 41 41 LYS H H 1 8.937 0.000 . 1 . . . . A 41 LYS H . 34257 1 487 . 1 1 41 41 LYS HA H 1 3.731 0.000 . 1 . . . . A 41 LYS HA . 34257 1 488 . 1 1 41 41 LYS HB2 H 1 1.885 0.000 . 2 . . . . A 41 LYS HB2 . 34257 1 489 . 1 1 41 41 LYS HB3 H 1 1.823 0.000 . 2 . . . . A 41 LYS HB3 . 34257 1 490 . 1 1 41 41 LYS HG2 H 1 1.570 0.000 . 2 . . . . A 41 LYS HG2 . 34257 1 491 . 1 1 41 41 LYS HG3 H 1 1.268 0.000 . 2 . . . . A 41 LYS HG3 . 34257 1 492 . 1 1 41 41 LYS HD2 H 1 1.735 0.000 . 2 . . . . A 41 LYS HD2 . 34257 1 493 . 1 1 41 41 LYS HD3 H 1 1.664 0.000 . 2 . . . . A 41 LYS HD3 . 34257 1 494 . 1 1 41 41 LYS HE2 H 1 2.867 0.000 . 1 . . . . A 41 LYS HE2 . 34257 1 495 . 1 1 41 41 LYS HE3 H 1 2.867 0.000 . 1 . . . . A 41 LYS HE3 . 34257 1 496 . 1 1 41 41 LYS C C 13 177.730 0.000 . 1 . . . . A 41 LYS C . 34257 1 497 . 1 1 41 41 LYS CA C 13 60.958 0.000 . 1 . . . . A 41 LYS CA . 34257 1 498 . 1 1 41 41 LYS CB C 13 32.437 0.000 . 1 . . . . A 41 LYS CB . 34257 1 499 . 1 1 41 41 LYS CG C 13 26.209 0.000 . 1 . . . . A 41 LYS CG . 34257 1 500 . 1 1 41 41 LYS CD C 13 29.521 0.000 . 1 . . . . A 41 LYS CD . 34257 1 501 . 1 1 41 41 LYS CE C 13 41.060 0.000 . 1 . . . . A 41 LYS CE . 34257 1 502 . 1 1 41 41 LYS N N 15 127.294 0.000 . 1 . . . . A 41 LYS N . 34257 1 503 . 1 1 42 42 SER H H 1 8.302 0.000 . 1 . . . . A 42 SER H . 34257 1 504 . 1 1 42 42 SER HA H 1 4.250 0.000 . 1 . . . . A 42 SER HA . 34257 1 505 . 1 1 42 42 SER HB2 H 1 3.991 0.000 . 1 . . . . A 42 SER HB2 . 34257 1 506 . 1 1 42 42 SER HB3 H 1 3.991 0.000 . 1 . . . . A 42 SER HB3 . 34257 1 507 . 1 1 42 42 SER C C 13 177.390 0.000 . 1 . . . . A 42 SER C . 34257 1 508 . 1 1 42 42 SER CA C 13 61.892 0.000 . 1 . . . . A 42 SER CA . 34257 1 509 . 1 1 42 42 SER CB C 13 62.394 0.000 . 1 . . . . A 42 SER CB . 34257 1 510 . 1 1 42 42 SER N N 15 114.706 0.000 . 1 . . . . A 42 SER N . 34257 1 511 . 1 1 43 43 LEU H H 1 7.866 0.000 . 1 . . . . A 43 LEU H . 34257 1 512 . 1 1 43 43 LEU HA H 1 4.273 0.000 . 1 . . . . A 43 LEU HA . 34257 1 513 . 1 1 43 43 LEU HB2 H 1 1.755 0.000 . 2 . . . . A 43 LEU HB2 . 34257 1 514 . 1 1 43 43 LEU HB3 H 1 1.561 0.000 . 2 . . . . A 43 LEU HB3 . 34257 1 515 . 1 1 43 43 LEU HG H 1 1.597 0.000 . 1 . . . . A 43 LEU HG . 34257 1 516 . 1 1 43 43 LEU HD11 H 1 0.929 0.000 . 2 . . . . A 43 LEU HD11 . 34257 1 517 . 1 1 43 43 LEU HD12 H 1 0.929 0.000 . 2 . . . . A 43 LEU HD12 . 34257 1 518 . 1 1 43 43 LEU HD13 H 1 0.929 0.000 . 2 . . . . A 43 LEU HD13 . 34257 1 519 . 1 1 43 43 LEU HD21 H 1 1.011 0.000 . 2 . . . . A 43 LEU HD21 . 34257 1 520 . 1 1 43 43 LEU HD22 H 1 1.011 0.000 . 2 . . . . A 43 LEU HD22 . 34257 1 521 . 1 1 43 43 LEU HD23 H 1 1.011 0.000 . 2 . . . . A 43 LEU HD23 . 34257 1 522 . 1 1 43 43 LEU C C 13 178.450 0.000 . 1 . . . . A 43 LEU C . 34257 1 523 . 1 1 43 43 LEU CA C 13 56.968 0.000 . 1 . . . . A 43 LEU CA . 34257 1 524 . 1 1 43 43 LEU CB C 13 41.715 0.000 . 1 . . . . A 43 LEU CB . 34257 1 525 . 1 1 43 43 LEU CG C 13 27.833 0.000 . 1 . . . . A 43 LEU CG . 34257 1 526 . 1 1 43 43 LEU CD1 C 13 24.662 0.000 . 2 . . . . A 43 LEU CD1 . 34257 1 527 . 1 1 43 43 LEU CD2 C 13 23.730 0.000 . 2 . . . . A 43 LEU CD2 . 34257 1 528 . 1 1 43 43 LEU N N 15 124.468 0.000 . 1 . . . . A 43 LEU N . 34257 1 529 . 1 1 44 44 PHE H H 1 8.453 0.000 . 1 . . . . A 44 PHE H . 34257 1 530 . 1 1 44 44 PHE HA H 1 3.838 0.000 . 1 . . . . A 44 PHE HA . 34257 1 531 . 1 1 44 44 PHE HB2 H 1 3.388 0.000 . 2 . . . . A 44 PHE HB2 . 34257 1 532 . 1 1 44 44 PHE HB3 H 1 2.957 0.000 . 2 . . . . A 44 PHE HB3 . 34257 1 533 . 1 1 44 44 PHE HD1 H 1 7.021 0.000 . 1 . . . . A 44 PHE HD1 . 34257 1 534 . 1 1 44 44 PHE HD2 H 1 7.021 0.000 . 1 . . . . A 44 PHE HD2 . 34257 1 535 . 1 1 44 44 PHE HE1 H 1 7.022 0.000 . 1 . . . . A 44 PHE HE1 . 34257 1 536 . 1 1 44 44 PHE HE2 H 1 7.022 0.000 . 1 . . . . A 44 PHE HE2 . 34257 1 537 . 1 1 44 44 PHE HZ H 1 7.065 0.000 . 1 . . . . A 44 PHE HZ . 34257 1 538 . 1 1 44 44 PHE C C 13 176.410 0.000 . 1 . . . . A 44 PHE C . 34257 1 539 . 1 1 44 44 PHE CA C 13 61.806 0.000 . 1 . . . . A 44 PHE CA . 34257 1 540 . 1 1 44 44 PHE CB C 13 40.148 0.000 . 1 . . . . A 44 PHE CB . 34257 1 541 . 1 1 44 44 PHE CD1 C 13 132.000 0.000 . 1 . . . . A 44 PHE CD1 . 34257 1 542 . 1 1 44 44 PHE CD2 C 13 132.000 0.000 . 1 . . . . A 44 PHE CD2 . 34257 1 543 . 1 1 44 44 PHE CE1 C 13 130.983 0.000 . 1 . . . . A 44 PHE CE1 . 34257 1 544 . 1 1 44 44 PHE CE2 C 13 130.983 0.000 . 1 . . . . A 44 PHE CE2 . 34257 1 545 . 1 1 44 44 PHE CZ C 13 128.867 0.000 . 1 . . . . A 44 PHE CZ . 34257 1 546 . 1 1 44 44 PHE N N 15 121.291 0.000 . 1 . . . . A 44 PHE N . 34257 1 547 . 1 1 45 45 VAL H H 1 8.353 0.000 . 1 . . . . A 45 VAL H . 34257 1 548 . 1 1 45 45 VAL HA H 1 3.507 0.000 . 1 . . . . A 45 VAL HA . 34257 1 549 . 1 1 45 45 VAL HB H 1 2.181 0.000 . 1 . . . . A 45 VAL HB . 34257 1 550 . 1 1 45 45 VAL HG11 H 1 1.033 0.000 . 2 . . . . A 45 VAL HG11 . 34257 1 551 . 1 1 45 45 VAL HG12 H 1 1.033 0.000 . 2 . . . . A 45 VAL HG12 . 34257 1 552 . 1 1 45 45 VAL HG13 H 1 1.033 0.000 . 2 . . . . A 45 VAL HG13 . 34257 1 553 . 1 1 45 45 VAL HG21 H 1 1.199 0.000 . 2 . . . . A 45 VAL HG21 . 34257 1 554 . 1 1 45 45 VAL HG22 H 1 1.199 0.000 . 2 . . . . A 45 VAL HG22 . 34257 1 555 . 1 1 45 45 VAL HG23 H 1 1.199 0.000 . 2 . . . . A 45 VAL HG23 . 34257 1 556 . 1 1 45 45 VAL C C 13 178.080 0.000 . 1 . . . . A 45 VAL C . 34257 1 557 . 1 1 45 45 VAL CA C 13 67.182 0.000 . 1 . . . . A 45 VAL CA . 34257 1 558 . 1 1 45 45 VAL CB C 13 32.001 0.000 . 1 . . . . A 45 VAL CB . 34257 1 559 . 1 1 45 45 VAL CG1 C 13 23.518 0.000 . 2 . . . . A 45 VAL CG1 . 34257 1 560 . 1 1 45 45 VAL CG2 C 13 21.301 0.000 . 2 . . . . A 45 VAL CG2 . 34257 1 561 . 1 1 45 45 VAL N N 15 117.922 0.000 . 1 . . . . A 45 VAL N . 34257 1 562 . 1 1 46 46 SER H H 1 7.957 0.000 . 1 . . . . A 46 SER H . 34257 1 563 . 1 1 46 46 SER C C 13 177.320 0.000 . 1 . . . . A 46 SER C . 34257 1 564 . 1 1 46 46 SER N N 15 114.462 0.000 . 1 . . . . A 46 SER N . 34257 1 565 . 1 1 47 47 ALA H H 1 8.517 0.000 . 1 . . . . A 47 ALA H . 34257 1 566 . 1 1 47 47 ALA HA H 1 3.931 0.000 . 1 . . . . A 47 ALA HA . 34257 1 567 . 1 1 47 47 ALA HB1 H 1 1.116 0.000 . 1 . . . . A 47 ALA HB1 . 34257 1 568 . 1 1 47 47 ALA HB2 H 1 1.116 0.000 . 1 . . . . A 47 ALA HB2 . 34257 1 569 . 1 1 47 47 ALA HB3 H 1 1.116 0.000 . 1 . . . . A 47 ALA HB3 . 34257 1 570 . 1 1 47 47 ALA C C 13 178.820 0.000 . 1 . . . . A 47 ALA C . 34257 1 571 . 1 1 47 47 ALA CA C 13 54.979 0.000 . 1 . . . . A 47 ALA CA . 34257 1 572 . 1 1 47 47 ALA CB C 13 17.346 0.000 . 1 . . . . A 47 ALA CB . 34257 1 573 . 1 1 47 47 ALA N N 15 124.169 0.000 . 1 . . . . A 47 ALA N . 34257 1 574 . 1 1 48 48 PHE H H 1 8.484 0.000 . 1 . . . . A 48 PHE H . 34257 1 575 . 1 1 48 48 PHE HA H 1 3.776 0.000 . 1 . . . . A 48 PHE HA . 34257 1 576 . 1 1 48 48 PHE HB2 H 1 3.238 0.000 . 2 . . . . A 48 PHE HB2 . 34257 1 577 . 1 1 48 48 PHE HB3 H 1 2.700 0.000 . 2 . . . . A 48 PHE HB3 . 34257 1 578 . 1 1 48 48 PHE HD1 H 1 7.015 0.000 . 1 . . . . A 48 PHE HD1 . 34257 1 579 . 1 1 48 48 PHE HD2 H 1 7.015 0.000 . 1 . . . . A 48 PHE HD2 . 34257 1 580 . 1 1 48 48 PHE HE1 H 1 7.194 0.000 . 1 . . . . A 48 PHE HE1 . 34257 1 581 . 1 1 48 48 PHE HE2 H 1 7.194 0.000 . 1 . . . . A 48 PHE HE2 . 34257 1 582 . 1 1 48 48 PHE HZ H 1 6.914 0.000 . 1 . . . . A 48 PHE HZ . 34257 1 583 . 1 1 48 48 PHE C C 13 176.580 0.000 . 1 . . . . A 48 PHE C . 34257 1 584 . 1 1 48 48 PHE CA C 13 63.007 0.000 . 1 . . . . A 48 PHE CA . 34257 1 585 . 1 1 48 48 PHE CB C 13 39.366 0.000 . 1 . . . . A 48 PHE CB . 34257 1 586 . 1 1 48 48 PHE CD1 C 13 132.238 0.000 . 1 . . . . A 48 PHE CD1 . 34257 1 587 . 1 1 48 48 PHE CD2 C 13 132.238 0.000 . 1 . . . . A 48 PHE CD2 . 34257 1 588 . 1 1 48 48 PHE CE1 C 13 131.229 0.000 . 1 . . . . A 48 PHE CE1 . 34257 1 589 . 1 1 48 48 PHE CE2 C 13 131.229 0.000 . 1 . . . . A 48 PHE CE2 . 34257 1 590 . 1 1 48 48 PHE CZ C 13 128.513 0.000 . 1 . . . . A 48 PHE CZ . 34257 1 591 . 1 1 48 48 PHE N N 15 120.944 0.000 . 1 . . . . A 48 PHE N . 34257 1 592 . 1 1 49 49 GLU H H 1 8.592 0.000 . 1 . . . . A 49 GLU H . 34257 1 593 . 1 1 49 49 GLU HA H 1 3.722 0.000 . 1 . . . . A 49 GLU HA . 34257 1 594 . 1 1 49 49 GLU HB2 H 1 2.289 0.000 . 2 . . . . A 49 GLU HB2 . 34257 1 595 . 1 1 49 49 GLU HB3 H 1 2.114 0.000 . 2 . . . . A 49 GLU HB3 . 34257 1 596 . 1 1 49 49 GLU HG2 H 1 2.782 0.000 . 2 . . . . A 49 GLU HG2 . 34257 1 597 . 1 1 49 49 GLU HG3 H 1 2.296 0.000 . 2 . . . . A 49 GLU HG3 . 34257 1 598 . 1 1 49 49 GLU C C 13 178.470 0.000 . 1 . . . . A 49 GLU C . 34257 1 599 . 1 1 49 49 GLU CA C 13 59.689 0.000 . 1 . . . . A 49 GLU CA . 34257 1 600 . 1 1 49 49 GLU CB C 13 29.277 0.000 . 1 . . . . A 49 GLU CB . 34257 1 601 . 1 1 49 49 GLU CG C 13 37.212 0.000 . 1 . . . . A 49 GLU CG . 34257 1 602 . 1 1 49 49 GLU N N 15 116.941 0.000 . 1 . . . . A 49 GLU N . 34257 1 603 . 1 1 50 50 THR H H 1 7.771 0.000 . 1 . . . . A 50 THR H . 34257 1 604 . 1 1 50 50 THR HA H 1 4.098 0.000 . 1 . . . . A 50 THR HA . 34257 1 605 . 1 1 50 50 THR HB H 1 4.045 0.000 . 1 . . . . A 50 THR HB . 34257 1 606 . 1 1 50 50 THR HG21 H 1 1.037 0.000 . 1 . . . . A 50 THR HG21 . 34257 1 607 . 1 1 50 50 THR HG22 H 1 1.037 0.000 . 1 . . . . A 50 THR HG22 . 34257 1 608 . 1 1 50 50 THR HG23 H 1 1.037 0.000 . 1 . . . . A 50 THR HG23 . 34257 1 609 . 1 1 50 50 THR C C 13 176.580 0.000 . 1 . . . . A 50 THR C . 34257 1 610 . 1 1 50 50 THR CA C 13 65.758 0.000 . 1 . . . . A 50 THR CA . 34257 1 611 . 1 1 50 50 THR CB C 13 68.966 0.000 . 1 . . . . A 50 THR CB . 34257 1 612 . 1 1 50 50 THR CG2 C 13 21.067 0.000 . 1 . . . . A 50 THR CG2 . 34257 1 613 . 1 1 50 50 THR N N 15 114.395 0.000 . 1 . . . . A 50 THR N . 34257 1 614 . 1 1 51 51 PHE H H 1 8.723 0.000 . 1 . . . . A 51 PHE H . 34257 1 615 . 1 1 51 51 PHE HA H 1 4.333 0.000 . 1 . . . . A 51 PHE HA . 34257 1 616 . 1 1 51 51 PHE HB2 H 1 2.983 0.000 . 2 . . . . A 51 PHE HB2 . 34257 1 617 . 1 1 51 51 PHE HB3 H 1 2.724 0.000 . 2 . . . . A 51 PHE HB3 . 34257 1 618 . 1 1 51 51 PHE HD1 H 1 7.157 0.000 . 1 . . . . A 51 PHE HD1 . 34257 1 619 . 1 1 51 51 PHE HD2 H 1 7.157 0.000 . 1 . . . . A 51 PHE HD2 . 34257 1 620 . 1 1 51 51 PHE HE1 H 1 7.108 0.000 . 1 . . . . A 51 PHE HE1 . 34257 1 621 . 1 1 51 51 PHE HE2 H 1 7.108 0.000 . 1 . . . . A 51 PHE HE2 . 34257 1 622 . 1 1 51 51 PHE C C 13 179.170 0.000 . 1 . . . . A 51 PHE C . 34257 1 623 . 1 1 51 51 PHE CA C 13 59.981 0.000 . 1 . . . . A 51 PHE CA . 34257 1 624 . 1 1 51 51 PHE CB C 13 38.275 0.000 . 1 . . . . A 51 PHE CB . 34257 1 625 . 1 1 51 51 PHE CD1 C 13 130.829 0.000 . 1 . . . . A 51 PHE CD1 . 34257 1 626 . 1 1 51 51 PHE CD2 C 13 130.829 0.000 . 1 . . . . A 51 PHE CD2 . 34257 1 627 . 1 1 51 51 PHE CE1 C 13 129.732 0.000 . 1 . . . . A 51 PHE CE1 . 34257 1 628 . 1 1 51 51 PHE CE2 C 13 129.732 0.000 . 1 . . . . A 51 PHE CE2 . 34257 1 629 . 1 1 51 51 PHE N N 15 120.480 0.000 . 1 . . . . A 51 PHE N . 34257 1 630 . 1 1 52 52 ARG H H 1 8.585 0.000 . 1 . . . . A 52 ARG H . 34257 1 631 . 1 1 52 52 ARG HA H 1 3.635 0.000 . 1 . . . . A 52 ARG HA . 34257 1 632 . 1 1 52 52 ARG C C 13 176.310 0.000 . 1 . . . . A 52 ARG C . 34257 1 633 . 1 1 52 52 ARG CA C 13 59.188 0.000 . 1 . . . . A 52 ARG CA . 34257 1 634 . 1 1 52 52 ARG N N 15 119.172 0.000 . 1 . . . . A 52 ARG N . 34257 1 635 . 1 1 53 53 GLU H H 1 6.742 0.000 . 1 . . . . A 53 GLU H . 34257 1 636 . 1 1 53 53 GLU HA H 1 4.001 0.000 . 1 . . . . A 53 GLU HA . 34257 1 637 . 1 1 53 53 GLU HB2 H 1 2.154 0.000 . 2 . . . . A 53 GLU HB2 . 34257 1 638 . 1 1 53 53 GLU HB3 H 1 1.994 0.000 . 2 . . . . A 53 GLU HB3 . 34257 1 639 . 1 1 53 53 GLU HG2 H 1 2.502 0.000 . 2 . . . . A 53 GLU HG2 . 34257 1 640 . 1 1 53 53 GLU HG3 H 1 2.353 0.000 . 2 . . . . A 53 GLU HG3 . 34257 1 641 . 1 1 53 53 GLU C C 13 177.130 0.000 . 1 . . . . A 53 GLU C . 34257 1 642 . 1 1 53 53 GLU CA C 13 57.873 0.000 . 1 . . . . A 53 GLU CA . 34257 1 643 . 1 1 53 53 GLU CB C 13 29.698 0.000 . 1 . . . . A 53 GLU CB . 34257 1 644 . 1 1 53 53 GLU CG C 13 35.998 0.000 . 1 . . . . A 53 GLU CG . 34257 1 645 . 1 1 53 53 GLU N N 15 115.408 0.000 . 1 . . . . A 53 GLU N . 34257 1 646 . 1 1 54 54 GLU H H 1 7.211 0.000 . 1 . . . . A 54 GLU H . 34257 1 647 . 1 1 54 54 GLU HA H 1 4.312 0.000 . 1 . . . . A 54 GLU HA . 34257 1 648 . 1 1 54 54 GLU HB2 H 1 2.281 0.000 . 2 . . . . A 54 GLU HB2 . 34257 1 649 . 1 1 54 54 GLU HB3 H 1 1.867 0.000 . 2 . . . . A 54 GLU HB3 . 34257 1 650 . 1 1 54 54 GLU HG2 H 1 2.298 0.000 . 2 . . . . A 54 GLU HG2 . 34257 1 651 . 1 1 54 54 GLU HG3 H 1 2.186 0.000 . 2 . . . . A 54 GLU HG3 . 34257 1 652 . 1 1 54 54 GLU C C 13 175.520 0.000 . 1 . . . . A 54 GLU C . 34257 1 653 . 1 1 54 54 GLU CA C 13 55.642 0.000 . 1 . . . . A 54 GLU CA . 34257 1 654 . 1 1 54 54 GLU CB C 13 30.026 0.000 . 1 . . . . A 54 GLU CB . 34257 1 655 . 1 1 54 54 GLU CG C 13 36.173 0.000 . 1 . . . . A 54 GLU CG . 34257 1 656 . 1 1 54 54 GLU N N 15 114.555 0.000 . 1 . . . . A 54 GLU N . 34257 1 657 . 1 1 55 55 SER H H 1 7.384 0.000 . 1 . . . . A 55 SER H . 34257 1 658 . 1 1 55 55 SER HA H 1 4.708 0.000 . 1 . . . . A 55 SER HA . 34257 1 659 . 1 1 55 55 SER HB2 H 1 3.689 0.000 . 1 . . . . A 55 SER HB2 . 34257 1 660 . 1 1 55 55 SER HB3 H 1 3.689 0.000 . 1 . . . . A 55 SER HB3 . 34257 1 661 . 1 1 55 55 SER C C 13 174.610 0.000 . 1 . . . . A 55 SER C . 34257 1 662 . 1 1 55 55 SER CA C 13 55.362 0.000 . 1 . . . . A 55 SER CA . 34257 1 663 . 1 1 55 55 SER CB C 13 63.816 0.000 . 1 . . . . A 55 SER CB . 34257 1 664 . 1 1 55 55 SER N N 15 114.321 0.000 . 1 . . . . A 55 SER N . 34257 1 665 . 1 1 56 56 LEU H H 1 8.806 0.000 . 1 . . . . A 56 LEU H . 34257 1 666 . 1 1 56 56 LEU HA H 1 4.125 0.000 . 1 . . . . A 56 LEU HA . 34257 1 667 . 1 1 56 56 LEU HB2 H 1 1.796 0.000 . 2 . . . . A 56 LEU HB2 . 34257 1 668 . 1 1 56 56 LEU HB3 H 1 1.696 0.000 . 2 . . . . A 56 LEU HB3 . 34257 1 669 . 1 1 56 56 LEU HG H 1 1.784 0.000 . 1 . . . . A 56 LEU HG . 34257 1 670 . 1 1 56 56 LEU HD11 H 1 0.932 0.000 . 2 . . . . A 56 LEU HD11 . 34257 1 671 . 1 1 56 56 LEU HD12 H 1 0.932 0.000 . 2 . . . . A 56 LEU HD12 . 34257 1 672 . 1 1 56 56 LEU HD13 H 1 0.932 0.000 . 2 . . . . A 56 LEU HD13 . 34257 1 673 . 1 1 56 56 LEU HD21 H 1 0.986 0.000 . 2 . . . . A 56 LEU HD21 . 34257 1 674 . 1 1 56 56 LEU HD22 H 1 0.986 0.000 . 2 . . . . A 56 LEU HD22 . 34257 1 675 . 1 1 56 56 LEU HD23 H 1 0.986 0.000 . 2 . . . . A 56 LEU HD23 . 34257 1 676 . 1 1 56 56 LEU C C 13 179.450 0.000 . 1 . . . . A 56 LEU C . 34257 1 677 . 1 1 56 56 LEU CA C 13 58.276 0.000 . 1 . . . . A 56 LEU CA . 34257 1 678 . 1 1 56 56 LEU CB C 13 41.822 0.000 . 1 . . . . A 56 LEU CB . 34257 1 679 . 1 1 56 56 LEU CG C 13 27.150 0.000 . 1 . . . . A 56 LEU CG . 34257 1 680 . 1 1 56 56 LEU CD1 C 13 24.716 0.000 . 2 . . . . A 56 LEU CD1 . 34257 1 681 . 1 1 56 56 LEU CD2 C 13 23.719 0.000 . 2 . . . . A 56 LEU CD2 . 34257 1 682 . 1 1 56 56 LEU N N 15 129.462 0.000 . 1 . . . . A 56 LEU N . 34257 1 683 . 1 1 57 57 VAL H H 1 7.915 0.000 . 1 . . . . A 57 VAL H . 34257 1 684 . 1 1 57 57 VAL HA H 1 4.322 0.000 . 1 . . . . A 57 VAL HA . 34257 1 685 . 1 1 57 57 VAL HB H 1 1.976 0.000 . 1 . . . . A 57 VAL HB . 34257 1 686 . 1 1 57 57 VAL HG11 H 1 1.043 0.000 . 2 . . . . A 57 VAL HG11 . 34257 1 687 . 1 1 57 57 VAL HG12 H 1 1.043 0.000 . 2 . . . . A 57 VAL HG12 . 34257 1 688 . 1 1 57 57 VAL HG13 H 1 1.043 0.000 . 2 . . . . A 57 VAL HG13 . 34257 1 689 . 1 1 57 57 VAL HG21 H 1 0.915 0.000 . 2 . . . . A 57 VAL HG21 . 34257 1 690 . 1 1 57 57 VAL HG22 H 1 0.915 0.000 . 2 . . . . A 57 VAL HG22 . 34257 1 691 . 1 1 57 57 VAL HG23 H 1 0.915 0.000 . 2 . . . . A 57 VAL HG23 . 34257 1 692 . 1 1 57 57 VAL C C 13 177.870 0.000 . 1 . . . . A 57 VAL C . 34257 1 693 . 1 1 57 57 VAL CA C 13 63.896 0.000 . 1 . . . . A 57 VAL CA . 34257 1 694 . 1 1 57 57 VAL CB C 13 33.105 0.000 . 1 . . . . A 57 VAL CB . 34257 1 695 . 1 1 57 57 VAL CG1 C 13 21.716 0.000 . 2 . . . . A 57 VAL CG1 . 34257 1 696 . 1 1 57 57 VAL CG2 C 13 21.336 0.000 . 2 . . . . A 57 VAL CG2 . 34257 1 697 . 1 1 57 57 VAL N N 15 112.295 0.000 . 1 . . . . A 57 VAL N . 34257 1 698 . 1 1 58 58 CYS H H 1 7.774 0.000 . 1 . . . . A 58 CYS H . 34257 1 699 . 1 1 58 58 CYS HA H 1 4.599 0.000 . 1 . . . . A 58 CYS HA . 34257 1 700 . 1 1 58 58 CYS HB2 H 1 3.050 0.000 . 2 . . . . A 58 CYS HB2 . 34257 1 701 . 1 1 58 58 CYS HB3 H 1 2.747 0.000 . 2 . . . . A 58 CYS HB3 . 34257 1 702 . 1 1 58 58 CYS C C 13 174.920 0.000 . 1 . . . . A 58 CYS C . 34257 1 703 . 1 1 58 58 CYS CA C 13 59.831 0.000 . 1 . . . . A 58 CYS CA . 34257 1 704 . 1 1 58 58 CYS CB C 13 28.095 0.000 . 1 . . . . A 58 CYS CB . 34257 1 705 . 1 1 58 58 CYS N N 15 115.357 0.000 . 1 . . . . A 58 CYS N . 34257 1 706 . 1 1 59 59 LYS H H 1 7.408 0.000 . 1 . . . . A 59 LYS H . 34257 1 707 . 1 1 59 59 LYS HA H 1 3.836 0.000 . 1 . . . . A 59 LYS HA . 34257 1 708 . 1 1 59 59 LYS HB2 H 1 2.009 0.000 . 2 . . . . A 59 LYS HB2 . 34257 1 709 . 1 1 59 59 LYS HB3 H 1 1.823 0.000 . 2 . . . . A 59 LYS HB3 . 34257 1 710 . 1 1 59 59 LYS HG2 H 1 1.461 0.000 . 2 . . . . A 59 LYS HG2 . 34257 1 711 . 1 1 59 59 LYS HG3 H 1 1.381 0.000 . 2 . . . . A 59 LYS HG3 . 34257 1 712 . 1 1 59 59 LYS HD2 H 1 1.716 0.000 . 1 . . . . A 59 LYS HD2 . 34257 1 713 . 1 1 59 59 LYS HD3 H 1 1.716 0.000 . 1 . . . . A 59 LYS HD3 . 34257 1 714 . 1 1 59 59 LYS HE2 H 1 3.056 0.000 . 1 . . . . A 59 LYS HE2 . 34257 1 715 . 1 1 59 59 LYS HE3 H 1 3.056 0.000 . 1 . . . . A 59 LYS HE3 . 34257 1 716 . 1 1 59 59 LYS C C 13 175.610 0.000 . 1 . . . . A 59 LYS C . 34257 1 717 . 1 1 59 59 LYS CA C 13 60.251 0.000 . 1 . . . . A 59 LYS CA . 34257 1 718 . 1 1 59 59 LYS CB C 13 32.582 0.000 . 1 . . . . A 59 LYS CB . 34257 1 719 . 1 1 59 59 LYS CG C 13 23.782 0.000 . 1 . . . . A 59 LYS CG . 34257 1 720 . 1 1 59 59 LYS CD C 13 29.368 0.000 . 1 . . . . A 59 LYS CD . 34257 1 721 . 1 1 59 59 LYS CE C 13 41.895 0.000 . 1 . . . . A 59 LYS CE . 34257 1 722 . 1 1 59 59 LYS N N 15 120.965 0.000 . 1 . . . . A 59 LYS N . 34257 1 723 . 1 1 60 60 ASP H H 1 8.287 0.000 . 1 . . . . A 60 ASP H . 34257 1 724 . 1 1 60 60 ASP C C 13 176.190 0.000 . 1 . . . . A 60 ASP C . 34257 1 725 . 1 1 60 60 ASP N N 15 115.377 0.000 . 1 . . . . A 60 ASP N . 34257 1 726 . 1 1 61 61 ALA H H 1 7.859 0.000 . 1 . . . . A 61 ALA H . 34257 1 727 . 1 1 61 61 ALA HA H 1 4.074 0.000 . 1 . . . . A 61 ALA HA . 34257 1 728 . 1 1 61 61 ALA HB1 H 1 1.352 0.000 . 1 . . . . A 61 ALA HB1 . 34257 1 729 . 1 1 61 61 ALA HB2 H 1 1.352 0.000 . 1 . . . . A 61 ALA HB2 . 34257 1 730 . 1 1 61 61 ALA HB3 H 1 1.352 0.000 . 1 . . . . A 61 ALA HB3 . 34257 1 731 . 1 1 61 61 ALA C C 13 176.750 0.000 . 1 . . . . A 61 ALA C . 34257 1 732 . 1 1 61 61 ALA CA C 13 53.129 0.000 . 1 . . . . A 61 ALA CA . 34257 1 733 . 1 1 61 61 ALA CB C 13 19.461 0.000 . 1 . . . . A 61 ALA CB . 34257 1 734 . 1 1 61 61 ALA N N 15 124.369 0.000 . 1 . . . . A 61 ALA N . 34257 1 735 . 1 1 62 62 ILE H H 1 7.776 0.000 . 1 . . . . A 62 ILE H . 34257 1 736 . 1 1 62 62 ILE HA H 1 4.138 0.000 . 1 . . . . A 62 ILE HA . 34257 1 737 . 1 1 62 62 ILE HB H 1 1.768 0.000 . 1 . . . . A 62 ILE HB . 34257 1 738 . 1 1 62 62 ILE HG12 H 1 1.730 0.000 . 2 . . . . A 62 ILE HG12 . 34257 1 739 . 1 1 62 62 ILE HG13 H 1 1.314 0.000 . 2 . . . . A 62 ILE HG13 . 34257 1 740 . 1 1 62 62 ILE HG21 H 1 0.888 0.000 . 1 . . . . A 62 ILE HG21 . 34257 1 741 . 1 1 62 62 ILE HG22 H 1 0.888 0.000 . 1 . . . . A 62 ILE HG22 . 34257 1 742 . 1 1 62 62 ILE HG23 H 1 0.888 0.000 . 1 . . . . A 62 ILE HG23 . 34257 1 743 . 1 1 62 62 ILE HD11 H 1 0.927 0.000 . 1 . . . . A 62 ILE HD11 . 34257 1 744 . 1 1 62 62 ILE HD12 H 1 0.927 0.000 . 1 . . . . A 62 ILE HD12 . 34257 1 745 . 1 1 62 62 ILE HD13 H 1 0.927 0.000 . 1 . . . . A 62 ILE HD13 . 34257 1 746 . 1 1 62 62 ILE C C 13 174.000 0.000 . 1 . . . . A 62 ILE C . 34257 1 747 . 1 1 62 62 ILE CA C 13 60.389 0.000 . 1 . . . . A 62 ILE CA . 34257 1 748 . 1 1 62 62 ILE CB C 13 39.910 0.000 . 1 . . . . A 62 ILE CB . 34257 1 749 . 1 1 62 62 ILE CG1 C 13 27.910 0.000 . 1 . . . . A 62 ILE CG1 . 34257 1 750 . 1 1 62 62 ILE CG2 C 13 17.649 0.000 . 1 . . . . A 62 ILE CG2 . 34257 1 751 . 1 1 62 62 ILE CD1 C 13 13.071 0.000 . 1 . . . . A 62 ILE CD1 . 34257 1 752 . 1 1 62 62 ILE N N 15 122.652 0.000 . 1 . . . . A 62 ILE N . 34257 1 753 . 1 1 63 63 LEU H H 1 8.342 0.000 . 1 . . . . A 63 LEU H . 34257 1 754 . 1 1 63 63 LEU HA H 1 4.871 0.000 . 1 . . . . A 63 LEU HA . 34257 1 755 . 1 1 63 63 LEU HB2 H 1 1.514 0.000 . 2 . . . . A 63 LEU HB2 . 34257 1 756 . 1 1 63 63 LEU HB3 H 1 0.413 0.000 . 2 . . . . A 63 LEU HB3 . 34257 1 757 . 1 1 63 63 LEU HG H 1 1.063 0.000 . 1 . . . . A 63 LEU HG . 34257 1 758 . 1 1 63 63 LEU HD11 H 1 0.313 0.000 . 2 . . . . A 63 LEU HD11 . 34257 1 759 . 1 1 63 63 LEU HD12 H 1 0.313 0.000 . 2 . . . . A 63 LEU HD12 . 34257 1 760 . 1 1 63 63 LEU HD13 H 1 0.313 0.000 . 2 . . . . A 63 LEU HD13 . 34257 1 761 . 1 1 63 63 LEU HD21 H 1 0.565 0.000 . 2 . . . . A 63 LEU HD21 . 34257 1 762 . 1 1 63 63 LEU HD22 H 1 0.565 0.000 . 2 . . . . A 63 LEU HD22 . 34257 1 763 . 1 1 63 63 LEU HD23 H 1 0.565 0.000 . 2 . . . . A 63 LEU HD23 . 34257 1 764 . 1 1 63 63 LEU C C 13 174.870 0.000 . 1 . . . . A 63 LEU C . 34257 1 765 . 1 1 63 63 LEU CA C 13 53.142 0.000 . 1 . . . . A 63 LEU CA . 34257 1 766 . 1 1 63 63 LEU CB C 13 43.300 0.000 . 1 . . . . A 63 LEU CB . 34257 1 767 . 1 1 63 63 LEU CG C 13 26.838 0.000 . 1 . . . . A 63 LEU CG . 34257 1 768 . 1 1 63 63 LEU CD1 C 13 26.851 0.000 . 2 . . . . A 63 LEU CD1 . 34257 1 769 . 1 1 63 63 LEU CD2 C 13 22.940 0.000 . 2 . . . . A 63 LEU CD2 . 34257 1 770 . 1 1 63 63 LEU N N 15 128.274 0.000 . 1 . . . . A 63 LEU N . 34257 1 771 . 1 1 64 64 ASP H H 1 9.072 0.000 . 1 . . . . A 64 ASP H . 34257 1 772 . 1 1 64 64 ASP HA H 1 5.019 0.000 . 1 . . . . A 64 ASP HA . 34257 1 773 . 1 1 64 64 ASP HB2 H 1 2.602 0.000 . 2 . . . . A 64 ASP HB2 . 34257 1 774 . 1 1 64 64 ASP HB3 H 1 2.390 0.000 . 2 . . . . A 64 ASP HB3 . 34257 1 775 . 1 1 64 64 ASP C C 13 173.980 0.000 . 1 . . . . A 64 ASP C . 34257 1 776 . 1 1 64 64 ASP CA C 13 52.916 0.000 . 1 . . . . A 64 ASP CA . 34257 1 777 . 1 1 64 64 ASP CB C 13 44.264 0.000 . 1 . . . . A 64 ASP CB . 34257 1 778 . 1 1 64 64 ASP N N 15 129.422 0.000 . 1 . . . . A 64 ASP N . 34257 1 779 . 1 1 65 65 ILE H H 1 8.219 0.000 . 1 . . . . A 65 ILE H . 34257 1 780 . 1 1 65 65 ILE HA H 1 4.729 0.000 . 1 . . . . A 65 ILE HA . 34257 1 781 . 1 1 65 65 ILE HB H 1 1.601 0.000 . 1 . . . . A 65 ILE HB . 34257 1 782 . 1 1 65 65 ILE HG12 H 1 1.404 0.000 . 2 . . . . A 65 ILE HG12 . 34257 1 783 . 1 1 65 65 ILE HG13 H 1 0.707 0.000 . 2 . . . . A 65 ILE HG13 . 34257 1 784 . 1 1 65 65 ILE HG21 H 1 0.596 0.000 . 1 . . . . A 65 ILE HG21 . 34257 1 785 . 1 1 65 65 ILE HG22 H 1 0.596 0.000 . 1 . . . . A 65 ILE HG22 . 34257 1 786 . 1 1 65 65 ILE HG23 H 1 0.596 0.000 . 1 . . . . A 65 ILE HG23 . 34257 1 787 . 1 1 65 65 ILE HD11 H 1 0.733 0.000 . 1 . . . . A 65 ILE HD11 . 34257 1 788 . 1 1 65 65 ILE HD12 H 1 0.733 0.000 . 1 . . . . A 65 ILE HD12 . 34257 1 789 . 1 1 65 65 ILE HD13 H 1 0.733 0.000 . 1 . . . . A 65 ILE HD13 . 34257 1 790 . 1 1 65 65 ILE C C 13 175.850 0.000 . 1 . . . . A 65 ILE C . 34257 1 791 . 1 1 65 65 ILE CA C 13 59.583 0.000 . 1 . . . . A 65 ILE CA . 34257 1 792 . 1 1 65 65 ILE CB C 13 40.035 0.000 . 1 . . . . A 65 ILE CB . 34257 1 793 . 1 1 65 65 ILE CG1 C 13 27.343 0.000 . 1 . . . . A 65 ILE CG1 . 34257 1 794 . 1 1 65 65 ILE CG2 C 13 17.756 0.000 . 1 . . . . A 65 ILE CG2 . 34257 1 795 . 1 1 65 65 ILE CD1 C 13 13.893 0.000 . 1 . . . . A 65 ILE CD1 . 34257 1 796 . 1 1 65 65 ILE N N 15 120.773 0.000 . 1 . . . . A 65 ILE N . 34257 1 797 . 1 1 66 66 VAL H H 1 9.307 0.000 . 1 . . . . A 66 VAL H . 34257 1 798 . 1 1 66 66 VAL HA H 1 4.145 0.000 . 1 . . . . A 66 VAL HA . 34257 1 799 . 1 1 66 66 VAL HB H 1 1.797 0.000 . 1 . . . . A 66 VAL HB . 34257 1 800 . 1 1 66 66 VAL HG11 H 1 0.690 0.000 . 2 . . . . A 66 VAL HG11 . 34257 1 801 . 1 1 66 66 VAL HG12 H 1 0.690 0.000 . 2 . . . . A 66 VAL HG12 . 34257 1 802 . 1 1 66 66 VAL HG13 H 1 0.690 0.000 . 2 . . . . A 66 VAL HG13 . 34257 1 803 . 1 1 66 66 VAL HG21 H 1 0.766 0.000 . 2 . . . . A 66 VAL HG21 . 34257 1 804 . 1 1 66 66 VAL HG22 H 1 0.766 0.000 . 2 . . . . A 66 VAL HG22 . 34257 1 805 . 1 1 66 66 VAL HG23 H 1 0.766 0.000 . 2 . . . . A 66 VAL HG23 . 34257 1 806 . 1 1 66 66 VAL C C 13 174.830 0.000 . 1 . . . . A 66 VAL C . 34257 1 807 . 1 1 66 66 VAL CA C 13 60.588 0.000 . 1 . . . . A 66 VAL CA . 34257 1 808 . 1 1 66 66 VAL CB C 13 34.115 0.000 . 1 . . . . A 66 VAL CB . 34257 1 809 . 1 1 66 66 VAL CG1 C 13 20.655 0.000 . 2 . . . . A 66 VAL CG1 . 34257 1 810 . 1 1 66 66 VAL CG2 C 13 20.825 0.000 . 2 . . . . A 66 VAL CG2 . 34257 1 811 . 1 1 66 66 VAL N N 15 130.267 0.000 . 1 . . . . A 66 VAL N . 34257 1 812 . 1 1 67 67 ASP H H 1 8.572 0.000 . 1 . . . . A 67 ASP H . 34257 1 813 . 1 1 67 67 ASP HA H 1 4.822 0.000 . 1 . . . . A 67 ASP HA . 34257 1 814 . 1 1 67 67 ASP HB2 H 1 2.558 0.000 . 2 . . . . A 67 ASP HB2 . 34257 1 815 . 1 1 67 67 ASP HB3 H 1 2.508 0.000 . 2 . . . . A 67 ASP HB3 . 34257 1 816 . 1 1 67 67 ASP C C 13 175.750 0.000 . 1 . . . . A 67 ASP C . 34257 1 817 . 1 1 67 67 ASP CA C 13 54.320 0.000 . 1 . . . . A 67 ASP CA . 34257 1 818 . 1 1 67 67 ASP CB C 13 41.334 0.000 . 1 . . . . A 67 ASP CB . 34257 1 819 . 1 1 67 67 ASP N N 15 127.188 0.000 . 1 . . . . A 67 ASP N . 34257 1 820 . 1 1 68 68 GLU H H 1 7.801 0.000 . 1 . . . . A 68 GLU H . 34257 1 821 . 1 1 68 68 GLU HA H 1 4.577 0.000 . 1 . . . . A 68 GLU HA . 34257 1 822 . 1 1 68 68 GLU HB2 H 1 1.724 0.000 . 1 . . . . A 68 GLU HB2 . 34257 1 823 . 1 1 68 68 GLU HB3 H 1 1.724 0.000 . 1 . . . . A 68 GLU HB3 . 34257 1 824 . 1 1 68 68 GLU HG2 H 1 2.049 0.000 . 2 . . . . A 68 GLU HG2 . 34257 1 825 . 1 1 68 68 GLU HG3 H 1 1.786 0.000 . 2 . . . . A 68 GLU HG3 . 34257 1 826 . 1 1 68 68 GLU C C 13 175.280 0.000 . 1 . . . . A 68 GLU C . 34257 1 827 . 1 1 68 68 GLU CA C 13 56.139 0.000 . 1 . . . . A 68 GLU CA . 34257 1 828 . 1 1 68 68 GLU CB C 13 31.496 0.000 . 1 . . . . A 68 GLU CB . 34257 1 829 . 1 1 68 68 GLU CG C 13 38.186 0.000 . 1 . . . . A 68 GLU CG . 34257 1 830 . 1 1 68 68 GLU N N 15 123.301 0.000 . 1 . . . . A 68 GLU N . 34257 1 831 . 1 1 69 69 LYS H H 1 8.510 0.000 . 1 . . . . A 69 LYS H . 34257 1 832 . 1 1 69 69 LYS HA H 1 4.271 0.000 . 1 . . . . A 69 LYS HA . 34257 1 833 . 1 1 69 69 LYS HB2 H 1 1.934 0.000 . 2 . . . . A 69 LYS HB2 . 34257 1 834 . 1 1 69 69 LYS HB3 H 1 1.543 0.000 . 2 . . . . A 69 LYS HB3 . 34257 1 835 . 1 1 69 69 LYS HG2 H 1 1.509 0.000 . 2 . . . . A 69 LYS HG2 . 34257 1 836 . 1 1 69 69 LYS HG3 H 1 1.467 0.000 . 2 . . . . A 69 LYS HG3 . 34257 1 837 . 1 1 69 69 LYS HD2 H 1 1.636 0.000 . 1 . . . . A 69 LYS HD2 . 34257 1 838 . 1 1 69 69 LYS HD3 H 1 1.636 0.000 . 1 . . . . A 69 LYS HD3 . 34257 1 839 . 1 1 69 69 LYS HE2 H 1 3.051 0.000 . 2 . . . . A 69 LYS HE2 . 34257 1 840 . 1 1 69 69 LYS HE3 H 1 2.980 0.000 . 2 . . . . A 69 LYS HE3 . 34257 1 841 . 1 1 69 69 LYS C C 13 176.360 0.000 . 1 . . . . A 69 LYS C . 34257 1 842 . 1 1 69 69 LYS CA C 13 55.093 0.000 . 1 . . . . A 69 LYS CA . 34257 1 843 . 1 1 69 69 LYS CB C 13 32.986 0.000 . 1 . . . . A 69 LYS CB . 34257 1 844 . 1 1 69 69 LYS CG C 13 24.918 0.000 . 1 . . . . A 69 LYS CG . 34257 1 845 . 1 1 69 69 LYS CD C 13 28.253 0.000 . 1 . . . . A 69 LYS CD . 34257 1 846 . 1 1 69 69 LYS CE C 13 41.889 0.000 . 1 . . . . A 69 LYS CE . 34257 1 847 . 1 1 69 69 LYS N N 15 124.284 0.000 . 1 . . . . A 69 LYS N . 34257 1 848 . 1 1 70 70 VAL H H 1 8.605 0.000 . 1 . . . . A 70 VAL H . 34257 1 849 . 1 1 70 70 VAL HA H 1 4.303 0.000 . 1 . . . . A 70 VAL HA . 34257 1 850 . 1 1 70 70 VAL HB H 1 1.821 0.000 . 1 . . . . A 70 VAL HB . 34257 1 851 . 1 1 70 70 VAL HG11 H 1 0.668 0.000 . 2 . . . . A 70 VAL HG11 . 34257 1 852 . 1 1 70 70 VAL HG12 H 1 0.668 0.000 . 2 . . . . A 70 VAL HG12 . 34257 1 853 . 1 1 70 70 VAL HG13 H 1 0.668 0.000 . 2 . . . . A 70 VAL HG13 . 34257 1 854 . 1 1 70 70 VAL HG21 H 1 0.989 0.000 . 2 . . . . A 70 VAL HG21 . 34257 1 855 . 1 1 70 70 VAL HG22 H 1 0.989 0.000 . 2 . . . . A 70 VAL HG22 . 34257 1 856 . 1 1 70 70 VAL HG23 H 1 0.989 0.000 . 2 . . . . A 70 VAL HG23 . 34257 1 857 . 1 1 70 70 VAL C C 13 174.920 0.000 . 1 . . . . A 70 VAL C . 34257 1 858 . 1 1 70 70 VAL CA C 13 63.103 0.000 . 1 . . . . A 70 VAL CA . 34257 1 859 . 1 1 70 70 VAL CB C 13 32.151 0.000 . 1 . . . . A 70 VAL CB . 34257 1 860 . 1 1 70 70 VAL CG1 C 13 22.959 0.000 . 2 . . . . A 70 VAL CG1 . 34257 1 861 . 1 1 70 70 VAL CG2 C 13 21.513 0.000 . 2 . . . . A 70 VAL CG2 . 34257 1 862 . 1 1 70 70 VAL N N 15 119.526 0.000 . 1 . . . . A 70 VAL N . 34257 1 863 . 1 1 71 71 GLU H H 1 7.730 0.000 . 1 . . . . A 71 GLU H . 34257 1 864 . 1 1 71 71 GLU HA H 1 4.479 0.000 . 1 . . . . A 71 GLU HA . 34257 1 865 . 1 1 71 71 GLU HB2 H 1 1.884 0.000 . 2 . . . . A 71 GLU HB2 . 34257 1 866 . 1 1 71 71 GLU HB3 H 1 1.438 0.000 . 2 . . . . A 71 GLU HB3 . 34257 1 867 . 1 1 71 71 GLU HG2 H 1 1.925 0.000 . 2 . . . . A 71 GLU HG2 . 34257 1 868 . 1 1 71 71 GLU HG3 H 1 1.817 0.000 . 2 . . . . A 71 GLU HG3 . 34257 1 869 . 1 1 71 71 GLU C C 13 173.010 0.000 . 1 . . . . A 71 GLU C . 34257 1 870 . 1 1 71 71 GLU CA C 13 55.049 0.000 . 1 . . . . A 71 GLU CA . 34257 1 871 . 1 1 71 71 GLU CB C 13 34.527 0.000 . 1 . . . . A 71 GLU CB . 34257 1 872 . 1 1 71 71 GLU CG C 13 38.205 0.000 . 1 . . . . A 71 GLU CG . 34257 1 873 . 1 1 71 71 GLU N N 15 126.180 0.000 . 1 . . . . A 71 GLU N . 34257 1 874 . 1 1 72 72 LEU H H 1 8.485 0.000 . 1 . . . . A 72 LEU H . 34257 1 875 . 1 1 72 72 LEU HA H 1 5.221 0.000 . 1 . . . . A 72 LEU HA . 34257 1 876 . 1 1 72 72 LEU HB2 H 1 0.763 0.000 . 2 . . . . A 72 LEU HB2 . 34257 1 877 . 1 1 72 72 LEU HB3 H 1 0.555 0.000 . 2 . . . . A 72 LEU HB3 . 34257 1 878 . 1 1 72 72 LEU HG H 1 1.032 0.000 . 1 . . . . A 72 LEU HG . 34257 1 879 . 1 1 72 72 LEU HD11 H 1 0.592 0.000 . 2 . . . . A 72 LEU HD11 . 34257 1 880 . 1 1 72 72 LEU HD12 H 1 0.592 0.000 . 2 . . . . A 72 LEU HD12 . 34257 1 881 . 1 1 72 72 LEU HD13 H 1 0.592 0.000 . 2 . . . . A 72 LEU HD13 . 34257 1 882 . 1 1 72 72 LEU HD21 H 1 0.560 0.000 . 2 . . . . A 72 LEU HD21 . 34257 1 883 . 1 1 72 72 LEU HD22 H 1 0.560 0.000 . 2 . . . . A 72 LEU HD22 . 34257 1 884 . 1 1 72 72 LEU HD23 H 1 0.560 0.000 . 2 . . . . A 72 LEU HD23 . 34257 1 885 . 1 1 72 72 LEU C C 13 174.650 0.000 . 1 . . . . A 72 LEU C . 34257 1 886 . 1 1 72 72 LEU CA C 13 52.530 0.000 . 1 . . . . A 72 LEU CA . 34257 1 887 . 1 1 72 72 LEU CB C 13 45.413 0.000 . 1 . . . . A 72 LEU CB . 34257 1 888 . 1 1 72 72 LEU CG C 13 27.673 0.000 . 1 . . . . A 72 LEU CG . 34257 1 889 . 1 1 72 72 LEU CD1 C 13 26.154 0.000 . 2 . . . . A 72 LEU CD1 . 34257 1 890 . 1 1 72 72 LEU CD2 C 13 24.741 0.000 . 2 . . . . A 72 LEU CD2 . 34257 1 891 . 1 1 72 72 LEU N N 15 123.777 0.000 . 1 . . . . A 72 LEU N . 34257 1 892 . 1 1 73 73 GLU H H 1 8.762 0.000 . 1 . . . . A 73 GLU H . 34257 1 893 . 1 1 73 73 GLU HA H 1 5.132 0.000 . 1 . . . . A 73 GLU HA . 34257 1 894 . 1 1 73 73 GLU HB2 H 1 1.810 0.000 . 2 . . . . A 73 GLU HB2 . 34257 1 895 . 1 1 73 73 GLU HB3 H 1 1.729 0.000 . 2 . . . . A 73 GLU HB3 . 34257 1 896 . 1 1 73 73 GLU HG2 H 1 1.961 0.000 . 2 . . . . A 73 GLU HG2 . 34257 1 897 . 1 1 73 73 GLU HG3 H 1 1.688 0.000 . 2 . . . . A 73 GLU HG3 . 34257 1 898 . 1 1 73 73 GLU C C 13 174.860 0.000 . 1 . . . . A 73 GLU C . 34257 1 899 . 1 1 73 73 GLU CA C 13 53.656 0.000 . 1 . . . . A 73 GLU CA . 34257 1 900 . 1 1 73 73 GLU CB C 13 33.871 0.000 . 1 . . . . A 73 GLU CB . 34257 1 901 . 1 1 73 73 GLU CG C 13 36.139 0.000 . 1 . . . . A 73 GLU CG . 34257 1 902 . 1 1 73 73 GLU N N 15 118.699 0.000 . 1 . . . . A 73 GLU N . 34257 1 903 . 1 1 74 74 CYS H H 1 9.342 0.000 . 1 . . . . A 74 CYS H . 34257 1 904 . 1 1 74 74 CYS HA H 1 4.674 0.000 . 1 . . . . A 74 CYS HA . 34257 1 905 . 1 1 74 74 CYS HB2 H 1 3.437 0.000 . 2 . . . . A 74 CYS HB2 . 34257 1 906 . 1 1 74 74 CYS HB3 H 1 3.090 0.000 . 2 . . . . A 74 CYS HB3 . 34257 1 907 . 1 1 74 74 CYS C C 13 178.370 0.000 . 1 . . . . A 74 CYS C . 34257 1 908 . 1 1 74 74 CYS CA C 13 59.261 0.000 . 1 . . . . A 74 CYS CA . 34257 1 909 . 1 1 74 74 CYS CB C 13 32.459 0.000 . 1 . . . . A 74 CYS CB . 34257 1 910 . 1 1 74 74 CYS N N 15 128.372 0.000 . 1 . . . . A 74 CYS N . 34257 1 911 . 1 1 75 75 LYS H H 1 9.322 0.000 . 1 . . . . A 75 LYS H . 34257 1 912 . 1 1 75 75 LYS HA H 1 4.282 0.000 . 1 . . . . A 75 LYS HA . 34257 1 913 . 1 1 75 75 LYS HB2 H 1 1.870 0.000 . 2 . . . . A 75 LYS HB2 . 34257 1 914 . 1 1 75 75 LYS HB3 H 1 1.816 0.000 . 2 . . . . A 75 LYS HB3 . 34257 1 915 . 1 1 75 75 LYS HG2 H 1 1.513 0.000 . 2 . . . . A 75 LYS HG2 . 34257 1 916 . 1 1 75 75 LYS HG3 H 1 1.427 0.000 . 2 . . . . A 75 LYS HG3 . 34257 1 917 . 1 1 75 75 LYS HD2 H 1 1.602 0.000 . 1 . . . . A 75 LYS HD2 . 34257 1 918 . 1 1 75 75 LYS HD3 H 1 1.602 0.000 . 1 . . . . A 75 LYS HD3 . 34257 1 919 . 1 1 75 75 LYS HE2 H 1 2.961 0.000 . 2 . . . . A 75 LYS HE2 . 34257 1 920 . 1 1 75 75 LYS HE3 H 1 2.829 0.000 . 2 . . . . A 75 LYS HE3 . 34257 1 921 . 1 1 75 75 LYS C C 13 176.780 0.000 . 1 . . . . A 75 LYS C . 34257 1 922 . 1 1 75 75 LYS CA C 13 56.911 0.000 . 1 . . . . A 75 LYS CA . 34257 1 923 . 1 1 75 75 LYS CB C 13 31.269 0.000 . 1 . . . . A 75 LYS CB . 34257 1 924 . 1 1 75 75 LYS CG C 13 24.471 0.000 . 1 . . . . A 75 LYS CG . 34257 1 925 . 1 1 75 75 LYS CD C 13 27.852 0.000 . 1 . . . . A 75 LYS CD . 34257 1 926 . 1 1 75 75 LYS CE C 13 41.445 0.000 . 1 . . . . A 75 LYS CE . 34257 1 927 . 1 1 75 75 LYS N N 15 129.273 0.000 . 1 . . . . A 75 LYS N . 34257 1 928 . 1 1 76 76 ASP H H 1 9.171 0.000 . 1 . . . . A 76 ASP H . 34257 1 929 . 1 1 76 76 ASP HA H 1 4.951 0.000 . 1 . . . . A 76 ASP HA . 34257 1 930 . 1 1 76 76 ASP HB2 H 1 2.812 0.000 . 2 . . . . A 76 ASP HB2 . 34257 1 931 . 1 1 76 76 ASP HB3 H 1 2.636 0.000 . 2 . . . . A 76 ASP HB3 . 34257 1 932 . 1 1 76 76 ASP C C 13 177.530 0.000 . 1 . . . . A 76 ASP C . 34257 1 933 . 1 1 76 76 ASP CA C 13 56.618 0.000 . 1 . . . . A 76 ASP CA . 34257 1 934 . 1 1 76 76 ASP CB C 13 42.075 0.000 . 1 . . . . A 76 ASP CB . 34257 1 935 . 1 1 76 76 ASP N N 15 122.154 0.000 . 1 . . . . A 76 ASP N . 34257 1 936 . 1 1 77 77 CYS H H 1 9.864 0.000 . 1 . . . . A 77 CYS H . 34257 1 937 . 1 1 77 77 CYS HA H 1 5.170 0.000 . 1 . . . . A 77 CYS HA . 34257 1 938 . 1 1 77 77 CYS HB2 H 1 3.266 0.000 . 2 . . . . A 77 CYS HB2 . 34257 1 939 . 1 1 77 77 CYS HB3 H 1 2.668 0.000 . 2 . . . . A 77 CYS HB3 . 34257 1 940 . 1 1 77 77 CYS C C 13 177.200 0.000 . 1 . . . . A 77 CYS C . 34257 1 941 . 1 1 77 77 CYS CA C 13 59.028 0.000 . 1 . . . . A 77 CYS CA . 34257 1 942 . 1 1 77 77 CYS CB C 13 32.215 0.000 . 1 . . . . A 77 CYS CB . 34257 1 943 . 1 1 77 77 CYS N N 15 123.998 0.000 . 1 . . . . A 77 CYS N . 34257 1 944 . 1 1 78 78 SER H H 1 7.656 0.000 . 1 . . . . A 78 SER H . 34257 1 945 . 1 1 78 78 SER HA H 1 4.569 0.000 . 1 . . . . A 78 SER HA . 34257 1 946 . 1 1 78 78 SER HB2 H 1 4.392 0.000 . 2 . . . . A 78 SER HB2 . 34257 1 947 . 1 1 78 78 SER HB3 H 1 4.116 0.000 . 2 . . . . A 78 SER HB3 . 34257 1 948 . 1 1 78 78 SER C C 13 172.860 0.000 . 1 . . . . A 78 SER C . 34257 1 949 . 1 1 78 78 SER CA C 13 62.043 0.000 . 1 . . . . A 78 SER CA . 34257 1 950 . 1 1 78 78 SER CB C 13 61.919 0.000 . 1 . . . . A 78 SER CB . 34257 1 951 . 1 1 78 78 SER N N 15 115.889 0.000 . 1 . . . . A 78 SER N . 34257 1 952 . 1 1 79 79 HIS H H 1 8.911 0.000 . 1 . . . . A 79 HIS H . 34257 1 953 . 1 1 79 79 HIS HA H 1 4.656 0.000 . 1 . . . . A 79 HIS HA . 34257 1 954 . 1 1 79 79 HIS HB2 H 1 3.327 0.000 . 2 . . . . A 79 HIS HB2 . 34257 1 955 . 1 1 79 79 HIS HB3 H 1 3.174 0.000 . 2 . . . . A 79 HIS HB3 . 34257 1 956 . 1 1 79 79 HIS HD2 H 1 6.502 0.000 . 1 . . . . A 79 HIS HD2 . 34257 1 957 . 1 1 79 79 HIS C C 13 173.190 0.000 . 1 . . . . A 79 HIS C . 34257 1 958 . 1 1 79 79 HIS CA C 13 58.181 0.000 . 1 . . . . A 79 HIS CA . 34257 1 959 . 1 1 79 79 HIS CB C 13 32.922 0.000 . 1 . . . . A 79 HIS CB . 34257 1 960 . 1 1 79 79 HIS CD2 C 13 118.484 0.000 . 1 . . . . A 79 HIS CD2 . 34257 1 961 . 1 1 79 79 HIS N N 15 125.349 0.000 . 1 . . . . A 79 HIS N . 34257 1 962 . 1 1 80 80 VAL H H 1 7.049 0.000 . 1 . . . . A 80 VAL H . 34257 1 963 . 1 1 80 80 VAL HA H 1 5.226 0.000 . 1 . . . . A 80 VAL HA . 34257 1 964 . 1 1 80 80 VAL HB H 1 1.772 0.000 . 1 . . . . A 80 VAL HB . 34257 1 965 . 1 1 80 80 VAL HG11 H 1 0.964 0.000 . 2 . . . . A 80 VAL HG11 . 34257 1 966 . 1 1 80 80 VAL HG12 H 1 0.964 0.000 . 2 . . . . A 80 VAL HG12 . 34257 1 967 . 1 1 80 80 VAL HG13 H 1 0.964 0.000 . 2 . . . . A 80 VAL HG13 . 34257 1 968 . 1 1 80 80 VAL HG21 H 1 0.786 0.000 . 2 . . . . A 80 VAL HG21 . 34257 1 969 . 1 1 80 80 VAL HG22 H 1 0.786 0.000 . 2 . . . . A 80 VAL HG22 . 34257 1 970 . 1 1 80 80 VAL HG23 H 1 0.786 0.000 . 2 . . . . A 80 VAL HG23 . 34257 1 971 . 1 1 80 80 VAL C C 13 175.300 0.000 . 1 . . . . A 80 VAL C . 34257 1 972 . 1 1 80 80 VAL CA C 13 60.427 0.000 . 1 . . . . A 80 VAL CA . 34257 1 973 . 1 1 80 80 VAL CB C 13 34.319 0.000 . 1 . . . . A 80 VAL CB . 34257 1 974 . 1 1 80 80 VAL CG1 C 13 21.175 0.000 . 2 . . . . A 80 VAL CG1 . 34257 1 975 . 1 1 80 80 VAL CG2 C 13 21.170 0.000 . 2 . . . . A 80 VAL CG2 . 34257 1 976 . 1 1 80 80 VAL N N 15 125.301 0.000 . 1 . . . . A 80 VAL N . 34257 1 977 . 1 1 81 81 PHE H H 1 8.871 0.000 . 1 . . . . A 81 PHE H . 34257 1 978 . 1 1 81 81 PHE HA H 1 4.845 0.000 . 1 . . . . A 81 PHE HA . 34257 1 979 . 1 1 81 81 PHE HB2 H 1 2.830 0.000 . 1 . . . . A 81 PHE HB2 . 34257 1 980 . 1 1 81 81 PHE HB3 H 1 2.830 0.000 . 1 . . . . A 81 PHE HB3 . 34257 1 981 . 1 1 81 81 PHE HD1 H 1 6.901 0.000 . 1 . . . . A 81 PHE HD1 . 34257 1 982 . 1 1 81 81 PHE HD2 H 1 6.901 0.000 . 1 . . . . A 81 PHE HD2 . 34257 1 983 . 1 1 81 81 PHE HE1 H 1 7.337 0.000 . 1 . . . . A 81 PHE HE1 . 34257 1 984 . 1 1 81 81 PHE HE2 H 1 7.337 0.000 . 1 . . . . A 81 PHE HE2 . 34257 1 985 . 1 1 81 81 PHE HZ H 1 7.671 0.000 . 1 . . . . A 81 PHE HZ . 34257 1 986 . 1 1 81 81 PHE C C 13 171.790 0.000 . 1 . . . . A 81 PHE C . 34257 1 987 . 1 1 81 81 PHE CA C 13 55.347 0.000 . 1 . . . . A 81 PHE CA . 34257 1 988 . 1 1 81 81 PHE CB C 13 40.600 0.000 . 1 . . . . A 81 PHE CB . 34257 1 989 . 1 1 81 81 PHE CD1 C 13 134.117 0.000 . 1 . . . . A 81 PHE CD1 . 34257 1 990 . 1 1 81 81 PHE CD2 C 13 134.117 0.000 . 1 . . . . A 81 PHE CD2 . 34257 1 991 . 1 1 81 81 PHE CE1 C 13 130.668 0.000 . 1 . . . . A 81 PHE CE1 . 34257 1 992 . 1 1 81 81 PHE CE2 C 13 130.668 0.000 . 1 . . . . A 81 PHE CE2 . 34257 1 993 . 1 1 81 81 PHE CZ C 13 130.635 0.000 . 1 . . . . A 81 PHE CZ . 34257 1 994 . 1 1 81 81 PHE N N 15 122.346 0.000 . 1 . . . . A 81 PHE N . 34257 1 995 . 1 1 82 82 LYS H H 1 8.643 0.000 . 1 . . . . A 82 LYS H . 34257 1 996 . 1 1 82 82 LYS HA H 1 5.007 0.000 . 1 . . . . A 82 LYS HA . 34257 1 997 . 1 1 82 82 LYS HB2 H 1 1.806 0.000 . 1 . . . . A 82 LYS HB2 . 34257 1 998 . 1 1 82 82 LYS HB3 H 1 1.806 0.000 . 1 . . . . A 82 LYS HB3 . 34257 1 999 . 1 1 82 82 LYS HG2 H 1 1.582 0.000 . 2 . . . . A 82 LYS HG2 . 34257 1 1000 . 1 1 82 82 LYS HG3 H 1 1.407 0.000 . 2 . . . . A 82 LYS HG3 . 34257 1 1001 . 1 1 82 82 LYS HD2 H 1 1.629 0.000 . 1 . . . . A 82 LYS HD2 . 34257 1 1002 . 1 1 82 82 LYS HD3 H 1 1.629 0.000 . 1 . . . . A 82 LYS HD3 . 34257 1 1003 . 1 1 82 82 LYS HE2 H 1 2.962 0.000 . 2 . . . . A 82 LYS HE2 . 34257 1 1004 . 1 1 82 82 LYS HE3 H 1 2.838 0.000 . 2 . . . . A 82 LYS HE3 . 34257 1 1005 . 1 1 82 82 LYS C C 13 174.780 0.000 . 1 . . . . A 82 LYS C . 34257 1 1006 . 1 1 82 82 LYS CA C 13 52.654 0.000 . 1 . . . . A 82 LYS CA . 34257 1 1007 . 1 1 82 82 LYS CB C 13 32.566 0.000 . 1 . . . . A 82 LYS CB . 34257 1 1008 . 1 1 82 82 LYS CG C 13 25.050 0.000 . 1 . . . . A 82 LYS CG . 34257 1 1009 . 1 1 82 82 LYS CD C 13 29.452 0.000 . 1 . . . . A 82 LYS CD . 34257 1 1010 . 1 1 82 82 LYS CE C 13 42.072 0.000 . 1 . . . . A 82 LYS CE . 34257 1 1011 . 1 1 82 82 LYS N N 15 121.091 0.000 . 1 . . . . A 82 LYS N . 34257 1 1012 . 1 1 83 83 PRO HA H 1 4.671 0.000 . 1 . . . . A 83 PRO HA . 34257 1 1013 . 1 1 83 83 PRO HB2 H 1 2.245 0.000 . 2 . . . . A 83 PRO HB2 . 34257 1 1014 . 1 1 83 83 PRO HB3 H 1 2.165 0.000 . 2 . . . . A 83 PRO HB3 . 34257 1 1015 . 1 1 83 83 PRO HG2 H 1 1.894 0.000 . 2 . . . . A 83 PRO HG2 . 34257 1 1016 . 1 1 83 83 PRO HG3 H 1 1.650 0.000 . 2 . . . . A 83 PRO HG3 . 34257 1 1017 . 1 1 83 83 PRO HD2 H 1 3.872 0.000 . 2 . . . . A 83 PRO HD2 . 34257 1 1018 . 1 1 83 83 PRO HD3 H 1 3.070 0.000 . 2 . . . . A 83 PRO HD3 . 34257 1 1019 . 1 1 83 83 PRO C C 13 177.130 0.000 . 1 . . . . A 83 PRO C . 34257 1 1020 . 1 1 83 83 PRO CA C 13 62.564 0.000 . 1 . . . . A 83 PRO CA . 34257 1 1021 . 1 1 83 83 PRO CB C 13 32.700 0.000 . 1 . . . . A 83 PRO CB . 34257 1 1022 . 1 1 83 83 PRO CG C 13 27.119 0.000 . 1 . . . . A 83 PRO CG . 34257 1 1023 . 1 1 83 83 PRO CD C 13 50.539 0.000 . 1 . . . . A 83 PRO CD . 34257 1 1024 . 1 1 84 84 ASN H H 1 8.963 0.000 . 1 . . . . A 84 ASN H . 34257 1 1025 . 1 1 84 84 ASN HA H 1 4.709 0.000 . 1 . . . . A 84 ASN HA . 34257 1 1026 . 1 1 84 84 ASN HB2 H 1 2.931 0.000 . 1 . . . . A 84 ASN HB2 . 34257 1 1027 . 1 1 84 84 ASN HB3 H 1 2.931 0.000 . 1 . . . . A 84 ASN HB3 . 34257 1 1028 . 1 1 84 84 ASN C C 13 174.870 0.000 . 1 . . . . A 84 ASN C . 34257 1 1029 . 1 1 84 84 ASN CA C 13 53.396 0.000 . 1 . . . . A 84 ASN CA . 34257 1 1030 . 1 1 84 84 ASN CB C 13 39.123 0.000 . 1 . . . . A 84 ASN CB . 34257 1 1031 . 1 1 84 84 ASN N N 15 119.504 0.000 . 1 . . . . A 84 ASN N . 34257 1 1032 . 1 1 85 85 ALA H H 1 8.101 0.000 . 1 . . . . A 85 ALA H . 34257 1 1033 . 1 1 85 85 ALA HA H 1 4.377 0.000 . 1 . . . . A 85 ALA HA . 34257 1 1034 . 1 1 85 85 ALA HB1 H 1 1.453 0.000 . 1 . . . . A 85 ALA HB1 . 34257 1 1035 . 1 1 85 85 ALA HB2 H 1 1.453 0.000 . 1 . . . . A 85 ALA HB2 . 34257 1 1036 . 1 1 85 85 ALA HB3 H 1 1.453 0.000 . 1 . . . . A 85 ALA HB3 . 34257 1 1037 . 1 1 85 85 ALA C C 13 177.270 0.000 . 1 . . . . A 85 ALA C . 34257 1 1038 . 1 1 85 85 ALA CA C 13 52.527 0.000 . 1 . . . . A 85 ALA CA . 34257 1 1039 . 1 1 85 85 ALA CB C 13 19.641 0.000 . 1 . . . . A 85 ALA CB . 34257 1 1040 . 1 1 85 85 ALA N N 15 122.442 0.000 . 1 . . . . A 85 ALA N . 34257 1 1041 . 1 1 86 86 LEU H H 1 8.184 0.000 . 1 . . . . A 86 LEU H . 34257 1 1042 . 1 1 86 86 LEU HA H 1 4.194 0.000 . 1 . . . . A 86 LEU HA . 34257 1 1043 . 1 1 86 86 LEU HB2 H 1 1.665 0.000 . 2 . . . . A 86 LEU HB2 . 34257 1 1044 . 1 1 86 86 LEU HB3 H 1 1.575 0.000 . 2 . . . . A 86 LEU HB3 . 34257 1 1045 . 1 1 86 86 LEU HG H 1 1.632 0.000 . 1 . . . . A 86 LEU HG . 34257 1 1046 . 1 1 86 86 LEU HD11 H 1 0.867 0.000 . 2 . . . . A 86 LEU HD11 . 34257 1 1047 . 1 1 86 86 LEU HD12 H 1 0.867 0.000 . 2 . . . . A 86 LEU HD12 . 34257 1 1048 . 1 1 86 86 LEU HD13 H 1 0.867 0.000 . 2 . . . . A 86 LEU HD13 . 34257 1 1049 . 1 1 86 86 LEU HD21 H 1 0.919 0.000 . 2 . . . . A 86 LEU HD21 . 34257 1 1050 . 1 1 86 86 LEU HD22 H 1 0.919 0.000 . 2 . . . . A 86 LEU HD22 . 34257 1 1051 . 1 1 86 86 LEU HD23 H 1 0.919 0.000 . 2 . . . . A 86 LEU HD23 . 34257 1 1052 . 1 1 86 86 LEU C C 13 176.620 0.000 . 1 . . . . A 86 LEU C . 34257 1 1053 . 1 1 86 86 LEU CA C 13 55.602 0.000 . 1 . . . . A 86 LEU CA . 34257 1 1054 . 1 1 86 86 LEU CB C 13 41.637 0.000 . 1 . . . . A 86 LEU CB . 34257 1 1055 . 1 1 86 86 LEU CG C 13 27.123 0.000 . 1 . . . . A 86 LEU CG . 34257 1 1056 . 1 1 86 86 LEU CD1 C 13 25.026 0.000 . 2 . . . . A 86 LEU CD1 . 34257 1 1057 . 1 1 86 86 LEU CD2 C 13 23.361 0.000 . 2 . . . . A 86 LEU CD2 . 34257 1 1058 . 1 1 86 86 LEU N N 15 118.719 0.000 . 1 . . . . A 86 LEU N . 34257 1 1059 . 1 1 87 87 ASP H H 1 7.896 0.000 . 1 . . . . A 87 ASP H . 34257 1 1060 . 1 1 87 87 ASP HA H 1 4.608 0.000 . 1 . . . . A 87 ASP HA . 34257 1 1061 . 1 1 87 87 ASP HB2 H 1 2.755 0.000 . 2 . . . . A 87 ASP HB2 . 34257 1 1062 . 1 1 87 87 ASP HB3 H 1 2.574 0.000 . 2 . . . . A 87 ASP HB3 . 34257 1 1063 . 1 1 87 87 ASP C C 13 175.510 0.000 . 1 . . . . A 87 ASP C . 34257 1 1064 . 1 1 87 87 ASP CA C 13 53.524 0.000 . 1 . . . . A 87 ASP CA . 34257 1 1065 . 1 1 87 87 ASP CB C 13 40.894 0.000 . 1 . . . . A 87 ASP CB . 34257 1 1066 . 1 1 87 87 ASP N N 15 118.550 0.000 . 1 . . . . A 87 ASP N . 34257 1 1067 . 1 1 88 88 TYR H H 1 7.900 0.000 . 1 . . . . A 88 TYR H . 34257 1 1068 . 1 1 88 88 TYR HA H 1 4.554 0.000 . 1 . . . . A 88 TYR HA . 34257 1 1069 . 1 1 88 88 TYR HB2 H 1 3.036 0.000 . 2 . . . . A 88 TYR HB2 . 34257 1 1070 . 1 1 88 88 TYR HB3 H 1 3.117 0.000 . 2 . . . . A 88 TYR HB3 . 34257 1 1071 . 1 1 88 88 TYR HD1 H 1 7.050 0.000 . 1 . . . . A 88 TYR HD1 . 34257 1 1072 . 1 1 88 88 TYR HD2 H 1 7.050 0.000 . 1 . . . . A 88 TYR HD2 . 34257 1 1073 . 1 1 88 88 TYR HE1 H 1 6.796 0.000 . 1 . . . . A 88 TYR HE1 . 34257 1 1074 . 1 1 88 88 TYR HE2 H 1 6.796 0.000 . 1 . . . . A 88 TYR HE2 . 34257 1 1075 . 1 1 88 88 TYR C C 13 176.120 0.000 . 1 . . . . A 88 TYR C . 34257 1 1076 . 1 1 88 88 TYR CA C 13 57.430 0.000 . 1 . . . . A 88 TYR CA . 34257 1 1077 . 1 1 88 88 TYR CB C 13 38.082 0.000 . 1 . . . . A 88 TYR CB . 34257 1 1078 . 1 1 88 88 TYR CD1 C 13 132.587 0.000 . 1 . . . . A 88 TYR CD1 . 34257 1 1079 . 1 1 88 88 TYR CD2 C 13 132.587 0.000 . 1 . . . . A 88 TYR CD2 . 34257 1 1080 . 1 1 88 88 TYR CE1 C 13 118.224 0.000 . 1 . . . . A 88 TYR CE1 . 34257 1 1081 . 1 1 88 88 TYR CE2 C 13 118.224 0.000 . 1 . . . . A 88 TYR CE2 . 34257 1 1082 . 1 1 88 88 TYR N N 15 121.518 0.000 . 1 . . . . A 88 TYR N . 34257 1 1083 . 1 1 89 89 GLY H H 1 8.292 0.000 . 1 . . . . A 89 GLY H . 34257 1 1084 . 1 1 89 89 GLY HA2 H 1 3.790 0.000 . 1 . . . . A 89 GLY HA2 . 34257 1 1085 . 1 1 89 89 GLY HA3 H 1 3.790 0.000 . 1 . . . . A 89 GLY HA3 . 34257 1 1086 . 1 1 89 89 GLY C C 13 172.820 0.000 . 1 . . . . A 89 GLY C . 34257 1 1087 . 1 1 89 89 GLY CA C 13 45.785 0.000 . 1 . . . . A 89 GLY CA . 34257 1 1088 . 1 1 89 89 GLY N N 15 108.085 0.000 . 1 . . . . A 89 GLY N . 34257 1 1089 . 1 1 90 90 VAL H H 1 7.069 0.000 . 1 . . . . A 90 VAL H . 34257 1 1090 . 1 1 90 90 VAL HA H 1 4.819 0.000 . 1 . . . . A 90 VAL HA . 34257 1 1091 . 1 1 90 90 VAL HB H 1 1.759 0.000 . 1 . . . . A 90 VAL HB . 34257 1 1092 . 1 1 90 90 VAL HG11 H 1 0.666 0.000 . 2 . . . . A 90 VAL HG11 . 34257 1 1093 . 1 1 90 90 VAL HG12 H 1 0.666 0.000 . 2 . . . . A 90 VAL HG12 . 34257 1 1094 . 1 1 90 90 VAL HG13 H 1 0.666 0.000 . 2 . . . . A 90 VAL HG13 . 34257 1 1095 . 1 1 90 90 VAL HG21 H 1 0.732 0.000 . 2 . . . . A 90 VAL HG21 . 34257 1 1096 . 1 1 90 90 VAL HG22 H 1 0.732 0.000 . 2 . . . . A 90 VAL HG22 . 34257 1 1097 . 1 1 90 90 VAL HG23 H 1 0.732 0.000 . 2 . . . . A 90 VAL HG23 . 34257 1 1098 . 1 1 90 90 VAL C C 13 174.540 0.000 . 1 . . . . A 90 VAL C . 34257 1 1099 . 1 1 90 90 VAL CA C 13 58.966 0.000 . 1 . . . . A 90 VAL CA . 34257 1 1100 . 1 1 90 90 VAL CB C 13 35.604 0.000 . 1 . . . . A 90 VAL CB . 34257 1 1101 . 1 1 90 90 VAL CG1 C 13 20.982 0.000 . 2 . . . . A 90 VAL CG1 . 34257 1 1102 . 1 1 90 90 VAL CG2 C 13 19.855 0.000 . 2 . . . . A 90 VAL CG2 . 34257 1 1103 . 1 1 90 90 VAL N N 15 113.883 0.000 . 1 . . . . A 90 VAL N . 34257 1 1104 . 1 1 91 91 CYS H H 1 9.071 0.000 . 1 . . . . A 91 CYS H . 34257 1 1105 . 1 1 91 91 CYS HA H 1 4.130 0.000 . 1 . . . . A 91 CYS HA . 34257 1 1106 . 1 1 91 91 CYS HB2 H 1 2.971 0.000 . 2 . . . . A 91 CYS HB2 . 34257 1 1107 . 1 1 91 91 CYS HB3 H 1 3.020 0.000 . 2 . . . . A 91 CYS HB3 . 34257 1 1108 . 1 1 91 91 CYS C C 13 178.000 0.000 . 1 . . . . A 91 CYS C . 34257 1 1109 . 1 1 91 91 CYS CA C 13 60.400 0.000 . 1 . . . . A 91 CYS CA . 34257 1 1110 . 1 1 91 91 CYS CB C 13 31.148 0.000 . 1 . . . . A 91 CYS CB . 34257 1 1111 . 1 1 91 91 CYS N N 15 126.163 0.000 . 1 . . . . A 91 CYS N . 34257 1 1112 . 1 1 92 92 GLU H H 1 5.674 0.000 . 1 . . . . A 92 GLU H . 34257 1 1113 . 1 1 92 92 GLU HA H 1 4.076 0.000 . 1 . . . . A 92 GLU HA . 34257 1 1114 . 1 1 92 92 GLU HB2 H 1 1.743 0.000 . 2 . . . . A 92 GLU HB2 . 34257 1 1115 . 1 1 92 92 GLU HB3 H 1 1.588 0.000 . 2 . . . . A 92 GLU HB3 . 34257 1 1116 . 1 1 92 92 GLU HG2 H 1 1.668 0.000 . 2 . . . . A 92 GLU HG2 . 34257 1 1117 . 1 1 92 92 GLU HG3 H 1 1.044 0.000 . 2 . . . . A 92 GLU HG3 . 34257 1 1118 . 1 1 92 92 GLU C C 13 174.530 0.000 . 1 . . . . A 92 GLU C . 34257 1 1119 . 1 1 92 92 GLU CA C 13 57.389 0.000 . 1 . . . . A 92 GLU CA . 34257 1 1120 . 1 1 92 92 GLU CB C 13 28.793 0.000 . 1 . . . . A 92 GLU CB . 34257 1 1121 . 1 1 92 92 GLU CG C 13 34.084 0.000 . 1 . . . . A 92 GLU CG . 34257 1 1122 . 1 1 92 92 GLU N N 15 126.586 0.000 . 1 . . . . A 92 GLU N . 34257 1 1123 . 1 1 93 93 LYS H H 1 8.986 0.000 . 1 . . . . A 93 LYS H . 34257 1 1124 . 1 1 93 93 LYS HA H 1 4.079 0.000 . 1 . . . . A 93 LYS HA . 34257 1 1125 . 1 1 93 93 LYS HB2 H 1 1.514 0.000 . 2 . . . . A 93 LYS HB2 . 34257 1 1126 . 1 1 93 93 LYS HB3 H 1 0.874 0.000 . 2 . . . . A 93 LYS HB3 . 34257 1 1127 . 1 1 93 93 LYS HG2 H 1 0.805 0.000 . 2 . . . . A 93 LYS HG2 . 34257 1 1128 . 1 1 93 93 LYS HG3 H 1 0.734 0.000 . 2 . . . . A 93 LYS HG3 . 34257 1 1129 . 1 1 93 93 LYS HD2 H 1 1.371 0.000 . 2 . . . . A 93 LYS HD2 . 34257 1 1130 . 1 1 93 93 LYS HD3 H 1 1.119 0.000 . 2 . . . . A 93 LYS HD3 . 34257 1 1131 . 1 1 93 93 LYS HE2 H 1 2.666 0.000 . 1 . . . . A 93 LYS HE2 . 34257 1 1132 . 1 1 93 93 LYS HE3 H 1 2.666 0.000 . 1 . . . . A 93 LYS HE3 . 34257 1 1133 . 1 1 93 93 LYS C C 13 176.590 0.000 . 1 . . . . A 93 LYS C . 34257 1 1134 . 1 1 93 93 LYS CA C 13 57.752 0.000 . 1 . . . . A 93 LYS CA . 34257 1 1135 . 1 1 93 93 LYS CB C 13 33.999 0.000 . 1 . . . . A 93 LYS CB . 34257 1 1136 . 1 1 93 93 LYS CG C 13 24.751 0.000 . 1 . . . . A 93 LYS CG . 34257 1 1137 . 1 1 93 93 LYS CD C 13 28.586 0.000 . 1 . . . . A 93 LYS CD . 34257 1 1138 . 1 1 93 93 LYS CE C 13 41.699 0.000 . 1 . . . . A 93 LYS CE . 34257 1 1139 . 1 1 93 93 LYS N N 15 123.697 0.000 . 1 . . . . A 93 LYS N . 34257 1 1140 . 1 1 94 94 CYS H H 1 9.049 0.000 . 1 . . . . A 94 CYS H . 34257 1 1141 . 1 1 94 94 CYS HA H 1 4.752 0.000 . 1 . . . . A 94 CYS HA . 34257 1 1142 . 1 1 94 94 CYS HB2 H 1 3.162 0.000 . 2 . . . . A 94 CYS HB2 . 34257 1 1143 . 1 1 94 94 CYS HB3 H 1 2.560 0.000 . 2 . . . . A 94 CYS HB3 . 34257 1 1144 . 1 1 94 94 CYS C C 13 176.640 0.000 . 1 . . . . A 94 CYS C . 34257 1 1145 . 1 1 94 94 CYS CA C 13 58.607 0.000 . 1 . . . . A 94 CYS CA . 34257 1 1146 . 1 1 94 94 CYS CB C 13 31.926 0.000 . 1 . . . . A 94 CYS CB . 34257 1 1147 . 1 1 94 94 CYS N N 15 120.650 0.000 . 1 . . . . A 94 CYS N . 34257 1 1148 . 1 1 95 95 HIS H H 1 7.535 0.000 . 1 . . . . A 95 HIS H . 34257 1 1149 . 1 1 95 95 HIS HA H 1 4.497 0.000 . 1 . . . . A 95 HIS HA . 34257 1 1150 . 1 1 95 95 HIS HB2 H 1 3.531 0.000 . 2 . . . . A 95 HIS HB2 . 34257 1 1151 . 1 1 95 95 HIS HB3 H 1 3.378 0.000 . 2 . . . . A 95 HIS HB3 . 34257 1 1152 . 1 1 95 95 HIS HD2 H 1 6.993 0.000 . 1 . . . . A 95 HIS HD2 . 34257 1 1153 . 1 1 95 95 HIS C C 13 173.400 0.000 . 1 . . . . A 95 HIS C . 34257 1 1154 . 1 1 95 95 HIS CA C 13 57.303 0.000 . 1 . . . . A 95 HIS CA . 34257 1 1155 . 1 1 95 95 HIS CB C 13 26.718 0.000 . 1 . . . . A 95 HIS CB . 34257 1 1156 . 1 1 95 95 HIS CD2 C 13 119.124 0.000 . 1 . . . . A 95 HIS CD2 . 34257 1 1157 . 1 1 95 95 HIS N N 15 116.583 0.000 . 1 . . . . A 95 HIS N . 34257 1 1158 . 1 1 96 96 SER H H 1 8.766 0.000 . 1 . . . . A 96 SER H . 34257 1 1159 . 1 1 96 96 SER HA H 1 4.336 0.000 . 1 . . . . A 96 SER HA . 34257 1 1160 . 1 1 96 96 SER HB2 H 1 4.313 0.000 . 2 . . . . A 96 SER HB2 . 34257 1 1161 . 1 1 96 96 SER HB3 H 1 3.973 0.000 . 2 . . . . A 96 SER HB3 . 34257 1 1162 . 1 1 96 96 SER C C 13 175.050 0.000 . 1 . . . . A 96 SER C . 34257 1 1163 . 1 1 96 96 SER CA C 13 58.681 0.000 . 1 . . . . A 96 SER CA . 34257 1 1164 . 1 1 96 96 SER CB C 13 64.626 0.000 . 1 . . . . A 96 SER CB . 34257 1 1165 . 1 1 96 96 SER N N 15 116.968 0.000 . 1 . . . . A 96 SER N . 34257 1 1166 . 1 1 97 97 LYS H H 1 8.552 0.000 . 1 . . . . A 97 LYS H . 34257 1 1167 . 1 1 97 97 LYS HA H 1 4.944 0.000 . 1 . . . . A 97 LYS HA . 34257 1 1168 . 1 1 97 97 LYS HB2 H 1 2.183 0.000 . 2 . . . . A 97 LYS HB2 . 34257 1 1169 . 1 1 97 97 LYS HB3 H 1 1.756 0.000 . 2 . . . . A 97 LYS HB3 . 34257 1 1170 . 1 1 97 97 LYS HG2 H 1 1.629 0.000 . 2 . . . . A 97 LYS HG2 . 34257 1 1171 . 1 1 97 97 LYS HG3 H 1 1.559 0.000 . 2 . . . . A 97 LYS HG3 . 34257 1 1172 . 1 1 97 97 LYS HD2 H 1 1.772 0.000 . 1 . . . . A 97 LYS HD2 . 34257 1 1173 . 1 1 97 97 LYS HD3 H 1 1.772 0.000 . 1 . . . . A 97 LYS HD3 . 34257 1 1174 . 1 1 97 97 LYS HE2 H 1 3.040 0.000 . 1 . . . . A 97 LYS HE2 . 34257 1 1175 . 1 1 97 97 LYS HE3 H 1 3.040 0.000 . 1 . . . . A 97 LYS HE3 . 34257 1 1176 . 1 1 97 97 LYS C C 13 177.830 0.000 . 1 . . . . A 97 LYS C . 34257 1 1177 . 1 1 97 97 LYS CA C 13 56.239 0.000 . 1 . . . . A 97 LYS CA . 34257 1 1178 . 1 1 97 97 LYS CB C 13 32.216 0.000 . 1 . . . . A 97 LYS CB . 34257 1 1179 . 1 1 97 97 LYS CG C 13 25.376 0.000 . 1 . . . . A 97 LYS CG . 34257 1 1180 . 1 1 97 97 LYS CD C 13 29.075 0.000 . 1 . . . . A 97 LYS CD . 34257 1 1181 . 1 1 97 97 LYS CE C 13 41.972 0.000 . 1 . . . . A 97 LYS CE . 34257 1 1182 . 1 1 97 97 LYS N N 15 122.574 0.000 . 1 . . . . A 97 LYS N . 34257 1 1183 . 1 1 98 98 ASN H H 1 9.414 0.000 . 1 . . . . A 98 ASN H . 34257 1 1184 . 1 1 98 98 ASN HA H 1 4.927 0.000 . 1 . . . . A 98 ASN HA . 34257 1 1185 . 1 1 98 98 ASN HB2 H 1 2.855 0.000 . 2 . . . . A 98 ASN HB2 . 34257 1 1186 . 1 1 98 98 ASN HB3 H 1 2.625 0.000 . 2 . . . . A 98 ASN HB3 . 34257 1 1187 . 1 1 98 98 ASN C C 13 172.970 0.000 . 1 . . . . A 98 ASN C . 34257 1 1188 . 1 1 98 98 ASN CA C 13 51.826 0.000 . 1 . . . . A 98 ASN CA . 34257 1 1189 . 1 1 98 98 ASN CB C 13 36.382 0.000 . 1 . . . . A 98 ASN CB . 34257 1 1190 . 1 1 98 98 ASN N N 15 124.439 0.000 . 1 . . . . A 98 ASN N . 34257 1 1191 . 1 1 99 99 VAL H H 1 7.615 0.000 . 1 . . . . A 99 VAL H . 34257 1 1192 . 1 1 99 99 VAL HA H 1 5.342 0.000 . 1 . . . . A 99 VAL HA . 34257 1 1193 . 1 1 99 99 VAL HB H 1 1.839 0.000 . 1 . . . . A 99 VAL HB . 34257 1 1194 . 1 1 99 99 VAL HG11 H 1 0.831 0.000 . 2 . . . . A 99 VAL HG11 . 34257 1 1195 . 1 1 99 99 VAL HG12 H 1 0.831 0.000 . 2 . . . . A 99 VAL HG12 . 34257 1 1196 . 1 1 99 99 VAL HG13 H 1 0.831 0.000 . 2 . . . . A 99 VAL HG13 . 34257 1 1197 . 1 1 99 99 VAL HG21 H 1 0.732 0.000 . 2 . . . . A 99 VAL HG21 . 34257 1 1198 . 1 1 99 99 VAL HG22 H 1 0.732 0.000 . 2 . . . . A 99 VAL HG22 . 34257 1 1199 . 1 1 99 99 VAL HG23 H 1 0.732 0.000 . 2 . . . . A 99 VAL HG23 . 34257 1 1200 . 1 1 99 99 VAL C C 13 175.960 0.000 . 1 . . . . A 99 VAL C . 34257 1 1201 . 1 1 99 99 VAL CA C 13 58.118 0.000 . 1 . . . . A 99 VAL CA . 34257 1 1202 . 1 1 99 99 VAL CB C 13 34.709 0.000 . 1 . . . . A 99 VAL CB . 34257 1 1203 . 1 1 99 99 VAL CG1 C 13 19.035 0.000 . 2 . . . . A 99 VAL CG1 . 34257 1 1204 . 1 1 99 99 VAL CG2 C 13 21.660 0.000 . 2 . . . . A 99 VAL CG2 . 34257 1 1205 . 1 1 99 99 VAL N N 15 112.585 0.000 . 1 . . . . A 99 VAL N . 34257 1 1206 . 1 1 100 100 ILE H H 1 9.014 0.000 . 1 . . . . A 100 ILE H . 34257 1 1207 . 1 1 100 100 ILE HA H 1 4.679 0.000 . 1 . . . . A 100 ILE HA . 34257 1 1208 . 1 1 100 100 ILE HB H 1 1.810 0.000 . 1 . . . . A 100 ILE HB . 34257 1 1209 . 1 1 100 100 ILE HG12 H 1 1.448 0.000 . 2 . . . . A 100 ILE HG12 . 34257 1 1210 . 1 1 100 100 ILE HG13 H 1 1.052 0.000 . 2 . . . . A 100 ILE HG13 . 34257 1 1211 . 1 1 100 100 ILE HG21 H 1 0.875 0.000 . 1 . . . . A 100 ILE HG21 . 34257 1 1212 . 1 1 100 100 ILE HG22 H 1 0.875 0.000 . 1 . . . . A 100 ILE HG22 . 34257 1 1213 . 1 1 100 100 ILE HG23 H 1 0.875 0.000 . 1 . . . . A 100 ILE HG23 . 34257 1 1214 . 1 1 100 100 ILE HD11 H 1 0.799 0.000 . 1 . . . . A 100 ILE HD11 . 34257 1 1215 . 1 1 100 100 ILE HD12 H 1 0.799 0.000 . 1 . . . . A 100 ILE HD12 . 34257 1 1216 . 1 1 100 100 ILE HD13 H 1 0.799 0.000 . 1 . . . . A 100 ILE HD13 . 34257 1 1217 . 1 1 100 100 ILE C C 13 174.190 0.000 . 1 . . . . A 100 ILE C . 34257 1 1218 . 1 1 100 100 ILE CA C 13 58.842 0.000 . 1 . . . . A 100 ILE CA . 34257 1 1219 . 1 1 100 100 ILE CB C 13 41.946 0.000 . 1 . . . . A 100 ILE CB . 34257 1 1220 . 1 1 100 100 ILE CG1 C 13 26.677 0.000 . 1 . . . . A 100 ILE CG1 . 34257 1 1221 . 1 1 100 100 ILE CG2 C 13 18.095 0.000 . 1 . . . . A 100 ILE CG2 . 34257 1 1222 . 1 1 100 100 ILE CD1 C 13 13.680 0.000 . 1 . . . . A 100 ILE CD1 . 34257 1 1223 . 1 1 100 100 ILE N N 15 119.792 0.000 . 1 . . . . A 100 ILE N . 34257 1 1224 . 1 1 101 101 ILE H H 1 8.350 0.000 . 1 . . . . A 101 ILE H . 34257 1 1225 . 1 1 101 101 ILE HA H 1 4.537 0.000 . 1 . . . . A 101 ILE HA . 34257 1 1226 . 1 1 101 101 ILE HB H 1 1.653 0.000 . 1 . . . . A 101 ILE HB . 34257 1 1227 . 1 1 101 101 ILE HG12 H 1 1.637 0.000 . 2 . . . . A 101 ILE HG12 . 34257 1 1228 . 1 1 101 101 ILE HG13 H 1 0.817 0.000 . 2 . . . . A 101 ILE HG13 . 34257 1 1229 . 1 1 101 101 ILE HG21 H 1 0.797 0.000 . 1 . . . . A 101 ILE HG21 . 34257 1 1230 . 1 1 101 101 ILE HG22 H 1 0.797 0.000 . 1 . . . . A 101 ILE HG22 . 34257 1 1231 . 1 1 101 101 ILE HG23 H 1 0.797 0.000 . 1 . . . . A 101 ILE HG23 . 34257 1 1232 . 1 1 101 101 ILE HD11 H 1 0.826 0.000 . 1 . . . . A 101 ILE HD11 . 34257 1 1233 . 1 1 101 101 ILE HD12 H 1 0.826 0.000 . 1 . . . . A 101 ILE HD12 . 34257 1 1234 . 1 1 101 101 ILE HD13 H 1 0.826 0.000 . 1 . . . . A 101 ILE HD13 . 34257 1 1235 . 1 1 101 101 ILE C C 13 177.240 0.000 . 1 . . . . A 101 ILE C . 34257 1 1236 . 1 1 101 101 ILE CA C 13 61.254 0.000 . 1 . . . . A 101 ILE CA . 34257 1 1237 . 1 1 101 101 ILE CB C 13 38.555 0.000 . 1 . . . . A 101 ILE CB . 34257 1 1238 . 1 1 101 101 ILE CG1 C 13 28.201 0.000 . 1 . . . . A 101 ILE CG1 . 34257 1 1239 . 1 1 101 101 ILE CG2 C 13 18.076 0.000 . 1 . . . . A 101 ILE CG2 . 34257 1 1240 . 1 1 101 101 ILE CD1 C 13 13.837 0.000 . 1 . . . . A 101 ILE CD1 . 34257 1 1241 . 1 1 101 101 ILE N N 15 123.339 0.000 . 1 . . . . A 101 ILE N . 34257 1 1242 . 1 1 102 102 THR H H 1 8.791 0.000 . 1 . . . . A 102 THR H . 34257 1 1243 . 1 1 102 102 THR HA H 1 4.264 0.000 . 1 . . . . A 102 THR HA . 34257 1 1244 . 1 1 102 102 THR HB H 1 4.181 0.000 . 1 . . . . A 102 THR HB . 34257 1 1245 . 1 1 102 102 THR HG21 H 1 1.103 0.000 . 1 . . . . A 102 THR HG21 . 34257 1 1246 . 1 1 102 102 THR HG22 H 1 1.103 0.000 . 1 . . . . A 102 THR HG22 . 34257 1 1247 . 1 1 102 102 THR HG23 H 1 1.103 0.000 . 1 . . . . A 102 THR HG23 . 34257 1 1248 . 1 1 102 102 THR C C 13 175.110 0.000 . 1 . . . . A 102 THR C . 34257 1 1249 . 1 1 102 102 THR CA C 13 62.416 0.000 . 1 . . . . A 102 THR CA . 34257 1 1250 . 1 1 102 102 THR CB C 13 68.329 0.000 . 1 . . . . A 102 THR CB . 34257 1 1251 . 1 1 102 102 THR CG2 C 13 23.689 0.000 . 1 . . . . A 102 THR CG2 . 34257 1 1252 . 1 1 102 102 THR N N 15 120.789 0.000 . 1 . . . . A 102 THR N . 34257 1 1253 . 1 1 103 103 GLN H H 1 7.677 0.000 . 1 . . . . A 103 GLN H . 34257 1 1254 . 1 1 103 103 GLN HA H 1 4.501 0.000 . 1 . . . . A 103 GLN HA . 34257 1 1255 . 1 1 103 103 GLN HB2 H 1 2.153 0.000 . 2 . . . . A 103 GLN HB2 . 34257 1 1256 . 1 1 103 103 GLN HB3 H 1 1.773 0.000 . 2 . . . . A 103 GLN HB3 . 34257 1 1257 . 1 1 103 103 GLN HG2 H 1 2.201 0.000 . 1 . . . . A 103 GLN HG2 . 34257 1 1258 . 1 1 103 103 GLN HG3 H 1 2.201 0.000 . 1 . . . . A 103 GLN HG3 . 34257 1 1259 . 1 1 103 103 GLN C C 13 174.110 0.000 . 1 . . . . A 103 GLN C . 34257 1 1260 . 1 1 103 103 GLN CA C 13 55.532 0.000 . 1 . . . . A 103 GLN CA . 34257 1 1261 . 1 1 103 103 GLN CB C 13 31.890 0.000 . 1 . . . . A 103 GLN CB . 34257 1 1262 . 1 1 103 103 GLN CG C 13 33.338 0.000 . 1 . . . . A 103 GLN CG . 34257 1 1263 . 1 1 103 103 GLN N N 15 118.397 0.000 . 1 . . . . A 103 GLN N . 34257 1 1264 . 1 1 104 104 GLY H H 1 9.103 0.000 . 1 . . . . A 104 GLY H . 34257 1 1265 . 1 1 104 104 GLY HA2 H 1 3.464 0.000 . 1 . . . . A 104 GLY HA2 . 34257 1 1266 . 1 1 104 104 GLY HA3 H 1 3.464 0.000 . 1 . . . . A 104 GLY HA3 . 34257 1 1267 . 1 1 104 104 GLY C C 13 173.250 0.000 . 1 . . . . A 104 GLY C . 34257 1 1268 . 1 1 104 104 GLY CA C 13 45.420 0.000 . 1 . . . . A 104 GLY CA . 34257 1 1269 . 1 1 104 104 GLY N N 15 106.818 0.000 . 1 . . . . A 104 GLY N . 34257 1 1270 . 1 1 105 105 ASN H H 1 8.541 0.000 . 1 . . . . A 105 ASN H . 34257 1 1271 . 1 1 105 105 ASN HA H 1 4.638 0.000 . 1 . . . . A 105 ASN HA . 34257 1 1272 . 1 1 105 105 ASN HB2 H 1 2.804 0.000 . 2 . . . . A 105 ASN HB2 . 34257 1 1273 . 1 1 105 105 ASN HB3 H 1 2.566 0.000 . 2 . . . . A 105 ASN HB3 . 34257 1 1274 . 1 1 105 105 ASN C C 13 174.460 0.000 . 1 . . . . A 105 ASN C . 34257 1 1275 . 1 1 105 105 ASN CA C 13 52.523 0.000 . 1 . . . . A 105 ASN CA . 34257 1 1276 . 1 1 105 105 ASN CB C 13 39.595 0.000 . 1 . . . . A 105 ASN CB . 34257 1 1277 . 1 1 105 105 ASN N N 15 117.839 0.000 . 1 . . . . A 105 ASN N . 34257 1 1278 . 1 1 106 106 GLU H H 1 8.012 0.000 . 1 . . . . A 106 GLU H . 34257 1 1279 . 1 1 106 106 GLU HA H 1 4.673 0.000 . 1 . . . . A 106 GLU HA . 34257 1 1280 . 1 1 106 106 GLU HB2 H 1 2.116 0.000 . 2 . . . . A 106 GLU HB2 . 34257 1 1281 . 1 1 106 106 GLU HB3 H 1 1.891 0.000 . 2 . . . . A 106 GLU HB3 . 34257 1 1282 . 1 1 106 106 GLU HG2 H 1 2.187 0.000 . 1 . . . . A 106 GLU HG2 . 34257 1 1283 . 1 1 106 106 GLU HG3 H 1 2.187 0.000 . 1 . . . . A 106 GLU HG3 . 34257 1 1284 . 1 1 106 106 GLU C C 13 174.990 0.000 . 1 . . . . A 106 GLU C . 34257 1 1285 . 1 1 106 106 GLU CA C 13 55.522 0.000 . 1 . . . . A 106 GLU CA . 34257 1 1286 . 1 1 106 106 GLU CB C 13 32.749 0.000 . 1 . . . . A 106 GLU CB . 34257 1 1287 . 1 1 106 106 GLU CG C 13 35.720 0.000 . 1 . . . . A 106 GLU CG . 34257 1 1288 . 1 1 106 106 GLU N N 15 118.350 0.000 . 1 . . . . A 106 GLU N . 34257 1 1289 . 1 1 107 107 MET H H 1 8.439 0.000 . 1 . . . . A 107 MET H . 34257 1 1290 . 1 1 107 107 MET HA H 1 5.256 0.000 . 1 . . . . A 107 MET HA . 34257 1 1291 . 1 1 107 107 MET HB2 H 1 2.060 0.000 . 2 . . . . A 107 MET HB2 . 34257 1 1292 . 1 1 107 107 MET HB3 H 1 1.792 0.000 . 2 . . . . A 107 MET HB3 . 34257 1 1293 . 1 1 107 107 MET HG2 H 1 2.385 0.000 . 2 . . . . A 107 MET HG2 . 34257 1 1294 . 1 1 107 107 MET HG3 H 1 2.213 0.000 . 2 . . . . A 107 MET HG3 . 34257 1 1295 . 1 1 107 107 MET HE1 H 1 1.937 0.000 . 1 . . . . A 107 MET HE1 . 34257 1 1296 . 1 1 107 107 MET HE2 H 1 1.937 0.000 . 1 . . . . A 107 MET HE2 . 34257 1 1297 . 1 1 107 107 MET HE3 H 1 1.937 0.000 . 1 . . . . A 107 MET HE3 . 34257 1 1298 . 1 1 107 107 MET C C 13 175.020 0.000 . 1 . . . . A 107 MET C . 34257 1 1299 . 1 1 107 107 MET CA C 13 54.647 0.000 . 1 . . . . A 107 MET CA . 34257 1 1300 . 1 1 107 107 MET CB C 13 33.037 0.000 . 1 . . . . A 107 MET CB . 34257 1 1301 . 1 1 107 107 MET CG C 13 31.700 0.000 . 1 . . . . A 107 MET CG . 34257 1 1302 . 1 1 107 107 MET CE C 13 17.371 0.000 . 1 . . . . A 107 MET CE . 34257 1 1303 . 1 1 107 107 MET N N 15 121.664 0.000 . 1 . . . . A 107 MET N . 34257 1 1304 . 1 1 108 108 ARG H H 1 9.154 0.000 . 1 . . . . A 108 ARG H . 34257 1 1305 . 1 1 108 108 ARG HA H 1 4.737 0.000 . 1 . . . . A 108 ARG HA . 34257 1 1306 . 1 1 108 108 ARG HB2 H 1 1.733 0.000 . 2 . . . . A 108 ARG HB2 . 34257 1 1307 . 1 1 108 108 ARG HB3 H 1 1.663 0.000 . 2 . . . . A 108 ARG HB3 . 34257 1 1308 . 1 1 108 108 ARG HG2 H 1 1.507 0.000 . 1 . . . . A 108 ARG HG2 . 34257 1 1309 . 1 1 108 108 ARG HG3 H 1 1.507 0.000 . 1 . . . . A 108 ARG HG3 . 34257 1 1310 . 1 1 108 108 ARG HD2 H 1 3.130 0.000 . 1 . . . . A 108 ARG HD2 . 34257 1 1311 . 1 1 108 108 ARG HD3 H 1 3.130 0.000 . 1 . . . . A 108 ARG HD3 . 34257 1 1312 . 1 1 108 108 ARG C C 13 174.270 0.000 . 1 . . . . A 108 ARG C . 34257 1 1313 . 1 1 108 108 ARG CA C 13 54.504 0.000 . 1 . . . . A 108 ARG CA . 34257 1 1314 . 1 1 108 108 ARG CB C 13 33.509 0.000 . 1 . . . . A 108 ARG CB . 34257 1 1315 . 1 1 108 108 ARG CG C 13 25.875 0.000 . 1 . . . . A 108 ARG CG . 34257 1 1316 . 1 1 108 108 ARG CD C 13 43.808 0.000 . 1 . . . . A 108 ARG CD . 34257 1 1317 . 1 1 108 108 ARG N N 15 123.672 0.000 . 1 . . . . A 108 ARG N . 34257 1 1318 . 1 1 109 109 LEU H H 1 8.861 0.000 . 1 . . . . A 109 LEU H . 34257 1 1319 . 1 1 109 109 LEU HA H 1 4.324 0.000 . 1 . . . . A 109 LEU HA . 34257 1 1320 . 1 1 109 109 LEU HB2 H 1 1.163 0.000 . 2 . . . . A 109 LEU HB2 . 34257 1 1321 . 1 1 109 109 LEU HB3 H 1 1.865 0.000 . 2 . . . . A 109 LEU HB3 . 34257 1 1322 . 1 1 109 109 LEU HG H 1 1.287 0.000 . 1 . . . . A 109 LEU HG . 34257 1 1323 . 1 1 109 109 LEU HD11 H 1 0.829 0.000 . 2 . . . . A 109 LEU HD11 . 34257 1 1324 . 1 1 109 109 LEU HD12 H 1 0.829 0.000 . 2 . . . . A 109 LEU HD12 . 34257 1 1325 . 1 1 109 109 LEU HD13 H 1 0.829 0.000 . 2 . . . . A 109 LEU HD13 . 34257 1 1326 . 1 1 109 109 LEU HD21 H 1 0.738 0.000 . 2 . . . . A 109 LEU HD21 . 34257 1 1327 . 1 1 109 109 LEU HD22 H 1 0.738 0.000 . 2 . . . . A 109 LEU HD22 . 34257 1 1328 . 1 1 109 109 LEU HD23 H 1 0.738 0.000 . 2 . . . . A 109 LEU HD23 . 34257 1 1329 . 1 1 109 109 LEU C C 13 175.650 0.000 . 1 . . . . A 109 LEU C . 34257 1 1330 . 1 1 109 109 LEU CA C 13 55.506 0.000 . 1 . . . . A 109 LEU CA . 34257 1 1331 . 1 1 109 109 LEU CB C 13 42.116 0.000 . 1 . . . . A 109 LEU CB . 34257 1 1332 . 1 1 109 109 LEU CG C 13 27.397 0.000 . 1 . . . . A 109 LEU CG . 34257 1 1333 . 1 1 109 109 LEU CD1 C 13 25.833 0.000 . 2 . . . . A 109 LEU CD1 . 34257 1 1334 . 1 1 109 109 LEU CD2 C 13 23.952 0.000 . 2 . . . . A 109 LEU CD2 . 34257 1 1335 . 1 1 109 109 LEU N N 15 125.342 0.000 . 1 . . . . A 109 LEU N . 34257 1 1336 . 1 1 110 110 LEU H H 1 9.046 0.000 . 1 . . . . A 110 LEU H . 34257 1 1337 . 1 1 110 110 LEU HA H 1 4.441 0.000 . 1 . . . . A 110 LEU HA . 34257 1 1338 . 1 1 110 110 LEU HB2 H 1 1.461 0.000 . 2 . . . . A 110 LEU HB2 . 34257 1 1339 . 1 1 110 110 LEU HB3 H 1 1.324 0.000 . 2 . . . . A 110 LEU HB3 . 34257 1 1340 . 1 1 110 110 LEU HG H 1 1.505 0.000 . 1 . . . . A 110 LEU HG . 34257 1 1341 . 1 1 110 110 LEU HD11 H 1 0.743 0.000 . 2 . . . . A 110 LEU HD11 . 34257 1 1342 . 1 1 110 110 LEU HD12 H 1 0.743 0.000 . 2 . . . . A 110 LEU HD12 . 34257 1 1343 . 1 1 110 110 LEU HD13 H 1 0.743 0.000 . 2 . . . . A 110 LEU HD13 . 34257 1 1344 . 1 1 110 110 LEU HD21 H 1 0.649 0.000 . 2 . . . . A 110 LEU HD21 . 34257 1 1345 . 1 1 110 110 LEU HD22 H 1 0.649 0.000 . 2 . . . . A 110 LEU HD22 . 34257 1 1346 . 1 1 110 110 LEU HD23 H 1 0.649 0.000 . 2 . . . . A 110 LEU HD23 . 34257 1 1347 . 1 1 110 110 LEU C C 13 177.600 0.000 . 1 . . . . A 110 LEU C . 34257 1 1348 . 1 1 110 110 LEU CA C 13 56.202 0.000 . 1 . . . . A 110 LEU CA . 34257 1 1349 . 1 1 110 110 LEU CB C 13 42.590 0.000 . 1 . . . . A 110 LEU CB . 34257 1 1350 . 1 1 110 110 LEU CG C 13 27.000 0.000 . 1 . . . . A 110 LEU CG . 34257 1 1351 . 1 1 110 110 LEU CD1 C 13 24.973 0.000 . 2 . . . . A 110 LEU CD1 . 34257 1 1352 . 1 1 110 110 LEU CD2 C 13 22.152 0.000 . 2 . . . . A 110 LEU CD2 . 34257 1 1353 . 1 1 110 110 LEU N N 15 128.456 0.000 . 1 . . . . A 110 LEU N . 34257 1 1354 . 1 1 111 111 SER H H 1 7.896 0.000 . 1 . . . . A 111 SER H . 34257 1 1355 . 1 1 111 111 SER HA H 1 4.470 0.000 . 1 . . . . A 111 SER HA . 34257 1 1356 . 1 1 111 111 SER HB2 H 1 3.704 0.000 . 2 . . . . A 111 SER HB2 . 34257 1 1357 . 1 1 111 111 SER HB3 H 1 3.648 0.000 . 2 . . . . A 111 SER HB3 . 34257 1 1358 . 1 1 111 111 SER C C 13 171.220 0.000 . 1 . . . . A 111 SER C . 34257 1 1359 . 1 1 111 111 SER CA C 13 58.106 0.000 . 1 . . . . A 111 SER CA . 34257 1 1360 . 1 1 111 111 SER CB C 13 64.326 0.000 . 1 . . . . A 111 SER CB . 34257 1 1361 . 1 1 111 111 SER N N 15 110.889 0.000 . 1 . . . . A 111 SER N . 34257 1 1362 . 1 1 112 112 LEU H H 1 8.110 0.000 . 1 . . . . A 112 LEU H . 34257 1 1363 . 1 1 112 112 LEU HA H 1 5.079 0.000 . 1 . . . . A 112 LEU HA . 34257 1 1364 . 1 1 112 112 LEU HB2 H 1 1.588 0.000 . 2 . . . . A 112 LEU HB2 . 34257 1 1365 . 1 1 112 112 LEU HB3 H 1 1.346 0.000 . 2 . . . . A 112 LEU HB3 . 34257 1 1366 . 1 1 112 112 LEU HG H 1 1.539 0.000 . 1 . . . . A 112 LEU HG . 34257 1 1367 . 1 1 112 112 LEU HD11 H 1 0.810 0.000 . 2 . . . . A 112 LEU HD11 . 34257 1 1368 . 1 1 112 112 LEU HD12 H 1 0.810 0.000 . 2 . . . . A 112 LEU HD12 . 34257 1 1369 . 1 1 112 112 LEU HD13 H 1 0.810 0.000 . 2 . . . . A 112 LEU HD13 . 34257 1 1370 . 1 1 112 112 LEU HD21 H 1 1.105 0.000 . 2 . . . . A 112 LEU HD21 . 34257 1 1371 . 1 1 112 112 LEU HD22 H 1 1.105 0.000 . 2 . . . . A 112 LEU HD22 . 34257 1 1372 . 1 1 112 112 LEU HD23 H 1 1.105 0.000 . 2 . . . . A 112 LEU HD23 . 34257 1 1373 . 1 1 112 112 LEU C C 13 175.750 0.000 . 1 . . . . A 112 LEU C . 34257 1 1374 . 1 1 112 112 LEU CA C 13 53.783 0.000 . 1 . . . . A 112 LEU CA . 34257 1 1375 . 1 1 112 112 LEU CB C 13 46.289 0.000 . 1 . . . . A 112 LEU CB . 34257 1 1376 . 1 1 112 112 LEU CG C 13 26.989 0.000 . 1 . . . . A 112 LEU CG . 34257 1 1377 . 1 1 112 112 LEU CD1 C 13 27.024 0.000 . 2 . . . . A 112 LEU CD1 . 34257 1 1378 . 1 1 112 112 LEU CD2 C 13 26.462 0.000 . 2 . . . . A 112 LEU CD2 . 34257 1 1379 . 1 1 112 112 LEU N N 15 120.923 0.000 . 1 . . . . A 112 LEU N . 34257 1 1380 . 1 1 113 113 GLU H H 1 8.659 0.000 . 1 . . . . A 113 GLU H . 34257 1 1381 . 1 1 113 113 GLU HA H 1 4.767 0.000 . 1 . . . . A 113 GLU HA . 34257 1 1382 . 1 1 113 113 GLU HB2 H 1 2.151 0.000 . 2 . . . . A 113 GLU HB2 . 34257 1 1383 . 1 1 113 113 GLU HB3 H 1 1.885 0.000 . 2 . . . . A 113 GLU HB3 . 34257 1 1384 . 1 1 113 113 GLU HG2 H 1 2.229 0.000 . 2 . . . . A 113 GLU HG2 . 34257 1 1385 . 1 1 113 113 GLU HG3 H 1 2.159 0.000 . 2 . . . . A 113 GLU HG3 . 34257 1 1386 . 1 1 113 113 GLU C C 13 175.690 0.000 . 1 . . . . A 113 GLU C . 34257 1 1387 . 1 1 113 113 GLU CA C 13 55.009 0.000 . 1 . . . . A 113 GLU CA . 34257 1 1388 . 1 1 113 113 GLU CB C 13 30.983 0.000 . 1 . . . . A 113 GLU CB . 34257 1 1389 . 1 1 113 113 GLU CG C 13 35.561 0.000 . 1 . . . . A 113 GLU CG . 34257 1 1390 . 1 1 113 113 GLU N N 15 122.248 0.000 . 1 . . . . A 113 GLU N . 34257 1 1391 . 1 1 114 114 MET H H 1 9.118 0.000 . 1 . . . . A 114 MET H . 34257 1 1392 . 1 1 114 114 MET HA H 1 4.982 0.000 . 1 . . . . A 114 MET HA . 34257 1 1393 . 1 1 114 114 MET HB2 H 1 2.076 0.000 . 2 . . . . A 114 MET HB2 . 34257 1 1394 . 1 1 114 114 MET HB3 H 1 1.910 0.000 . 2 . . . . A 114 MET HB3 . 34257 1 1395 . 1 1 114 114 MET HG2 H 1 2.419 0.000 . 1 . . . . A 114 MET HG2 . 34257 1 1396 . 1 1 114 114 MET HG3 H 1 2.419 0.000 . 1 . . . . A 114 MET HG3 . 34257 1 1397 . 1 1 114 114 MET HE1 H 1 1.978 0.000 . 1 . . . . A 114 MET HE1 . 34257 1 1398 . 1 1 114 114 MET HE2 H 1 1.978 0.000 . 1 . . . . A 114 MET HE2 . 34257 1 1399 . 1 1 114 114 MET HE3 H 1 1.978 0.000 . 1 . . . . A 114 MET HE3 . 34257 1 1400 . 1 1 114 114 MET C C 13 174.120 0.000 . 1 . . . . A 114 MET C . 34257 1 1401 . 1 1 114 114 MET CA C 13 54.570 0.000 . 1 . . . . A 114 MET CA . 34257 1 1402 . 1 1 114 114 MET CB C 13 35.909 0.000 . 1 . . . . A 114 MET CB . 34257 1 1403 . 1 1 114 114 MET CG C 13 32.525 0.000 . 1 . . . . A 114 MET CG . 34257 1 1404 . 1 1 114 114 MET CE C 13 17.652 0.000 . 1 . . . . A 114 MET CE . 34257 1 1405 . 1 1 114 114 MET N N 15 124.019 0.000 . 1 . . . . A 114 MET N . 34257 1 1406 . 1 1 115 115 LEU H H 1 8.552 0.000 . 1 . . . . A 115 LEU H . 34257 1 1407 . 1 1 115 115 LEU HA H 1 4.639 0.000 . 1 . . . . A 115 LEU HA . 34257 1 1408 . 1 1 115 115 LEU HB2 H 1 1.692 0.000 . 2 . . . . A 115 LEU HB2 . 34257 1 1409 . 1 1 115 115 LEU HB3 H 1 1.434 0.000 . 2 . . . . A 115 LEU HB3 . 34257 1 1410 . 1 1 115 115 LEU HG H 1 1.516 0.000 . 1 . . . . A 115 LEU HG . 34257 1 1411 . 1 1 115 115 LEU HD11 H 1 0.920 0.000 . 2 . . . . A 115 LEU HD11 . 34257 1 1412 . 1 1 115 115 LEU HD12 H 1 0.920 0.000 . 2 . . . . A 115 LEU HD12 . 34257 1 1413 . 1 1 115 115 LEU HD13 H 1 0.920 0.000 . 2 . . . . A 115 LEU HD13 . 34257 1 1414 . 1 1 115 115 LEU HD21 H 1 0.939 0.000 . 2 . . . . A 115 LEU HD21 . 34257 1 1415 . 1 1 115 115 LEU HD22 H 1 0.939 0.000 . 2 . . . . A 115 LEU HD22 . 34257 1 1416 . 1 1 115 115 LEU HD23 H 1 0.939 0.000 . 2 . . . . A 115 LEU HD23 . 34257 1 1417 . 1 1 115 115 LEU C C 13 177.840 0.000 . 1 . . . . A 115 LEU C . 34257 1 1418 . 1 1 115 115 LEU CA C 13 54.360 0.000 . 1 . . . . A 115 LEU CA . 34257 1 1419 . 1 1 115 115 LEU CB C 13 44.020 0.000 . 1 . . . . A 115 LEU CB . 34257 1 1420 . 1 1 115 115 LEU CG C 13 27.306 0.000 . 1 . . . . A 115 LEU CG . 34257 1 1421 . 1 1 115 115 LEU CD1 C 13 24.675 0.000 . 2 . . . . A 115 LEU CD1 . 34257 1 1422 . 1 1 115 115 LEU CD2 C 13 24.402 0.000 . 2 . . . . A 115 LEU CD2 . 34257 1 1423 . 1 1 115 115 LEU N N 15 122.574 0.000 . 1 . . . . A 115 LEU N . 34257 1 1424 . 1 1 116 116 ALA H H 1 8.692 0.000 . 1 . . . . A 116 ALA H . 34257 1 1425 . 1 1 116 116 ALA HA H 1 4.571 0.000 . 1 . . . . A 116 ALA HA . 34257 1 1426 . 1 1 116 116 ALA HB1 H 1 1.460 0.000 . 1 . . . . A 116 ALA HB1 . 34257 1 1427 . 1 1 116 116 ALA HB2 H 1 1.460 0.000 . 1 . . . . A 116 ALA HB2 . 34257 1 1428 . 1 1 116 116 ALA HB3 H 1 1.460 0.000 . 1 . . . . A 116 ALA HB3 . 34257 1 1429 . 1 1 116 116 ALA C C 13 176.200 0.000 . 1 . . . . A 116 ALA C . 34257 1 1430 . 1 1 116 116 ALA CA C 13 52.211 0.000 . 1 . . . . A 116 ALA CA . 34257 1 1431 . 1 1 116 116 ALA CB C 13 20.190 0.000 . 1 . . . . A 116 ALA CB . 34257 1 1432 . 1 1 116 116 ALA N N 15 127.899 0.000 . 1 . . . . A 116 ALA N . 34257 1 1433 . 1 1 117 117 GLU H H 1 8.078 0.000 . 1 . . . . A 117 GLU H . 34257 1 1434 . 1 1 117 117 GLU HA H 1 4.131 0.000 . 1 . . . . A 117 GLU HA . 34257 1 1435 . 1 1 117 117 GLU HB2 H 1 2.057 0.000 . 2 . . . . A 117 GLU HB2 . 34257 1 1436 . 1 1 117 117 GLU HB3 H 1 1.902 0.000 . 2 . . . . A 117 GLU HB3 . 34257 1 1437 . 1 1 117 117 GLU HG2 H 1 2.187 0.000 . 1 . . . . A 117 GLU HG2 . 34257 1 1438 . 1 1 117 117 GLU HG3 H 1 2.187 0.000 . 1 . . . . A 117 GLU HG3 . 34257 1 1439 . 1 1 117 117 GLU C C 13 180.790 0.000 . 1 . . . . A 117 GLU C . 34257 1 1440 . 1 1 117 117 GLU CA C 13 57.906 0.000 . 1 . . . . A 117 GLU CA . 34257 1 1441 . 1 1 117 117 GLU CB C 13 31.415 0.000 . 1 . . . . A 117 GLU CB . 34257 1 1442 . 1 1 117 117 GLU CG C 13 36.652 0.000 . 1 . . . . A 117 GLU CG . 34257 1 1443 . 1 1 117 117 GLU N N 15 124.994 0.000 . 1 . . . . A 117 GLU N . 34257 1 stop_ save_