data_31098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31098 _Entry.Title ; Solution structure of the zinc finger repeat domain of BCL11A (ZnF456) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-17 _Entry.Accession_date 2023-07-17 _Entry.Last_release_date 2023-10-02 _Entry.Original_release_date 2023-10-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. Viennet T. . . . 31098 2 M. Yin M. . . . 31098 3 S. Orkin S. H. . . 31098 4 H. Arthanari H. . . . 31098 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 31098 'Transcription factor' . 31098 'zinc finger' . 31098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 31098 '15N chemical shifts' 97 31098 '1H chemical shifts' 551 31098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-07-17 . original BMRB . 31098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8THO 'BMRB Entry Tracking System' 31098 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31098 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and dynamic investigation of DNA-binding by BCL11A reveals a specific role for ZnF6 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 T. Viennet T. . . . 31098 1 2 M. Yin M. . . . 31098 1 3 A. Jayaraj A. . . . 31098 1 4 W. Kim W. . . . 31098 1 5 Z.-Y.J. Sun . . . . 31098 1 6 H.-S. Seo . . . . 31098 1 7 S. Dhe-Paganon S. . . . 31098 1 8 S. Orkin S. H. . . 31098 1 9 H. Arthanari H. . . . 31098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31098 _Assembly.ID 1 _Assembly.Name 'B-cell lymphoma/leukemia 11A' _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 unit_1 1 $entity_1 A A yes . . . . . . 31098 1 2 unit_2 2 $entity_ZN B A no . . . . . . 31098 1 3 unit_3 2 $entity_ZN C A no . . . . . . 31098 1 4 unit_4 2 $entity_ZN D A no . . . . . . 31098 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 coordination single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 2 coordination single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 3 coordination single . 1 . 1 HIS 25 25 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 4 coordination single . 1 . 1 HIS 29 29 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 5 coordination single . 1 . 1 CYS 37 37 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 6 coordination single . 1 . 1 CYS 40 40 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 7 coordination single . 1 . 1 HIS 53 53 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 8 coordination single . 1 . 1 HIS 57 57 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 9 coordination single . 1 . 1 CYS 67 67 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 10 coordination single . 1 . 1 CYS 70 70 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 11 coordination single . 1 . 1 HIS 83 83 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 12 coordination single . 1 . 1 HIS 88 88 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . . . 31098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31098 _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 ; SEGRRSDTCEYCGKVFKNCS NLTVHRRSHTGERPYKCELC NYACAQSSKLTRHMKTHGQV GKDVYKCEICKMPFSVYSTL EKHMKKWHSDRVLNNDIKTE ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 737-835' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11703.447 _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 'B-cell CLL/lymphoma 11A' common 31098 1 BCL-11A common 31098 1 'COUP-TF-interacting protein 1' common 31098 1 EVI-9 common 31098 1 'Ecotropic viral integration site 9 protein homolog' common 31098 1 'Zinc finger protein 856' common 31098 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 31098 1 2 . GLU . 31098 1 3 . GLY . 31098 1 4 . ARG . 31098 1 5 . ARG . 31098 1 6 . SER . 31098 1 7 . ASP . 31098 1 8 . THR . 31098 1 9 . CYS . 31098 1 10 . GLU . 31098 1 11 . TYR . 31098 1 12 . CYS . 31098 1 13 . GLY . 31098 1 14 . LYS . 31098 1 15 . VAL . 31098 1 16 . PHE . 31098 1 17 . LYS . 31098 1 18 . ASN . 31098 1 19 . CYS . 31098 1 20 . SER . 31098 1 21 . ASN . 31098 1 22 . LEU . 31098 1 23 . THR . 31098 1 24 . VAL . 31098 1 25 . HIS . 31098 1 26 . ARG . 31098 1 27 . ARG . 31098 1 28 . SER . 31098 1 29 . HIS . 31098 1 30 . THR . 31098 1 31 . GLY . 31098 1 32 . GLU . 31098 1 33 . ARG . 31098 1 34 . PRO . 31098 1 35 . TYR . 31098 1 36 . LYS . 31098 1 37 . CYS . 31098 1 38 . GLU . 31098 1 39 . LEU . 31098 1 40 . CYS . 31098 1 41 . ASN . 31098 1 42 . TYR . 31098 1 43 . ALA . 31098 1 44 . CYS . 31098 1 45 . ALA . 31098 1 46 . GLN . 31098 1 47 . SER . 31098 1 48 . SER . 31098 1 49 . LYS . 31098 1 50 . LEU . 31098 1 51 . THR . 31098 1 52 . ARG . 31098 1 53 . HIS . 31098 1 54 . MET . 31098 1 55 . LYS . 31098 1 56 . THR . 31098 1 57 . HIS . 31098 1 58 . GLY . 31098 1 59 . GLN . 31098 1 60 . VAL . 31098 1 61 . GLY . 31098 1 62 . LYS . 31098 1 63 . ASP . 31098 1 64 . VAL . 31098 1 65 . TYR . 31098 1 66 . LYS . 31098 1 67 . CYS . 31098 1 68 . GLU . 31098 1 69 . ILE . 31098 1 70 . CYS . 31098 1 71 . LYS . 31098 1 72 . MET . 31098 1 73 . PRO . 31098 1 74 . PHE . 31098 1 75 . SER . 31098 1 76 . VAL . 31098 1 77 . TYR . 31098 1 78 . SER . 31098 1 79 . THR . 31098 1 80 . LEU . 31098 1 81 . GLU . 31098 1 82 . LYS . 31098 1 83 . HIS . 31098 1 84 . MET . 31098 1 85 . LYS . 31098 1 86 . LYS . 31098 1 87 . TRP . 31098 1 88 . HIS . 31098 1 89 . SER . 31098 1 90 . ASP . 31098 1 91 . ARG . 31098 1 92 . VAL . 31098 1 93 . LEU . 31098 1 94 . ASN . 31098 1 95 . ASN . 31098 1 96 . ASP . 31098 1 97 . ILE . 31098 1 98 . LYS . 31098 1 99 . THR . 31098 1 100 . GLU . 31098 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 . SER 1 1 31098 1 . GLU 2 2 31098 1 . GLY 3 3 31098 1 . ARG 4 4 31098 1 . ARG 5 5 31098 1 . SER 6 6 31098 1 . ASP 7 7 31098 1 . THR 8 8 31098 1 . CYS 9 9 31098 1 . GLU 10 10 31098 1 . TYR 11 11 31098 1 . CYS 12 12 31098 1 . GLY 13 13 31098 1 . LYS 14 14 31098 1 . VAL 15 15 31098 1 . PHE 16 16 31098 1 . LYS 17 17 31098 1 . ASN 18 18 31098 1 . CYS 19 19 31098 1 . SER 20 20 31098 1 . ASN 21 21 31098 1 . LEU 22 22 31098 1 . THR 23 23 31098 1 . VAL 24 24 31098 1 . HIS 25 25 31098 1 . ARG 26 26 31098 1 . ARG 27 27 31098 1 . SER 28 28 31098 1 . HIS 29 29 31098 1 . THR 30 30 31098 1 . GLY 31 31 31098 1 . GLU 32 32 31098 1 . ARG 33 33 31098 1 . PRO 34 34 31098 1 . TYR 35 35 31098 1 . LYS 36 36 31098 1 . CYS 37 37 31098 1 . GLU 38 38 31098 1 . LEU 39 39 31098 1 . CYS 40 40 31098 1 . ASN 41 41 31098 1 . TYR 42 42 31098 1 . ALA 43 43 31098 1 . CYS 44 44 31098 1 . ALA 45 45 31098 1 . GLN 46 46 31098 1 . SER 47 47 31098 1 . SER 48 48 31098 1 . LYS 49 49 31098 1 . LEU 50 50 31098 1 . THR 51 51 31098 1 . ARG 52 52 31098 1 . HIS 53 53 31098 1 . MET 54 54 31098 1 . LYS 55 55 31098 1 . THR 56 56 31098 1 . HIS 57 57 31098 1 . GLY 58 58 31098 1 . GLN 59 59 31098 1 . VAL 60 60 31098 1 . GLY 61 61 31098 1 . LYS 62 62 31098 1 . ASP 63 63 31098 1 . VAL 64 64 31098 1 . TYR 65 65 31098 1 . LYS 66 66 31098 1 . CYS 67 67 31098 1 . GLU 68 68 31098 1 . ILE 69 69 31098 1 . CYS 70 70 31098 1 . LYS 71 71 31098 1 . MET 72 72 31098 1 . PRO 73 73 31098 1 . PHE 74 74 31098 1 . SER 75 75 31098 1 . VAL 76 76 31098 1 . TYR 77 77 31098 1 . SER 78 78 31098 1 . THR 79 79 31098 1 . LEU 80 80 31098 1 . GLU 81 81 31098 1 . LYS 82 82 31098 1 . HIS 83 83 31098 1 . MET 84 84 31098 1 . LYS 85 85 31098 1 . LYS 86 86 31098 1 . TRP 87 87 31098 1 . HIS 88 88 31098 1 . SER 89 89 31098 1 . ASP 90 90 31098 1 . ARG 91 91 31098 1 . VAL 92 92 31098 1 . LEU 93 93 31098 1 . ASN 94 94 31098 1 . ASN 95 95 31098 1 . ASP 96 96 31098 1 . ILE 97 97 31098 1 . LYS 98 98 31098 1 . THR 99 99 31098 1 . GLU 100 100 31098 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 31098 _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 31098 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 31098 2 ZN 'Three letter code' 31098 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 31098 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 31098 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BCL11A, CTIP1, EVI9, KIAA1809, ZNF856' . 31098 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 31098 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 31098 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 31098 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 31098 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 31098 ZN [Zn++] SMILES CACTVS 3.341 31098 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 31098 ZN [Zn+2] SMILES ACDLabs 10.04 31098 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 31098 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 31098 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 31098 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 31098 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 31098 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31098 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 137 mM sodium chloride, 2.7 mM potassium chloride, 10 mM sodium phosphate, 1.8 mM potassium phosphate, 1 mM dithiothreitol, 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 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 31098 1 2 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 31098 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31098 1 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 31098 1 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 31098 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 31098 _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' 163 . mM 31098 1 pH 6.0 . pH 31098 1 pressure 1 . atm 31098 1 temperature 298 . K 31098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31098 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31098 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31098 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31098 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31098 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31098 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31098 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31098 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31098 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31098 _Software.ID 4 _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' . . 31098 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31098 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31098 _Software.ID 5 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 31098 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31098 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 31098 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 700 . . . 31098 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 31098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31098 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 31098 _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 water 'methylene carbons' . . . . ppm 53.2 internal direct 1.0 . . . . . 31098 1 H 1 water 'methylene protons' . . . . ppm 4.7 internal direct 1.0 . . . . . 31098 1 N 15 water nitrogen . . . . ppm 118.0 internal direct 1.0 . . . . . 31098 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 31098 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 31098 1 2 '2D 1H-13C HSQC aliphatic' . . . 31098 1 3 '2D 1H-13C HSQC aromatic' . . . 31098 1 4 '3D 1H-13C NOESY aliphatic' . . . 31098 1 5 '3D 1H-13C NOESY aromatic' . . . 31098 1 6 '3D 1H-15N NOESY' . . . 31098 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLU HA H 1 4.273812502 0.1 . 1 . . . . A 2 GLU HA . 31098 1 2 . 1 . 1 2 2 GLU HB2 H 1 1.896420915 0.1 . 1 . . . . A 2 GLU HB2 . 31098 1 3 . 1 . 1 2 2 GLU HB3 H 1 2.020741861 0.1 . 1 . . . . A 2 GLU HB3 . 31098 1 4 . 1 . 1 2 2 GLU HG2 H 1 2.212292943 0.1 . 1 . . . . A 2 GLU HG2 . 31098 1 5 . 1 . 1 2 2 GLU CA C 13 56.66066808 0.1 . 1 . . . . A 2 GLU CA . 31098 1 6 . 1 . 1 2 2 GLU CB C 13 30.26968604 0.2 . 1 . . . . A 2 GLU CB . 31098 1 7 . 1 . 1 2 2 GLU CG C 13 36.17731932 0.2 . 1 . . . . A 2 GLU CG . 31098 1 8 . 1 . 1 3 3 GLY H H 1 8.478093004 0.025 . 1 . . . . A 3 GLY H . 31098 1 9 . 1 . 1 3 3 GLY HA2 H 1 3.868983625 0.1 . 1 . . . . A 3 GLY HA2 . 31098 1 10 . 1 . 1 3 3 GLY CA C 13 45.22102479 0.1 . 1 . . . . A 3 GLY CA . 31098 1 11 . 1 . 1 3 3 GLY N N 15 110.1972179 0.05 . 1 . . . . A 3 GLY N . 31098 1 12 . 1 . 1 4 4 ARG H H 1 8.19596188 0.025 . 1 . . . . A 4 ARG H . 31098 1 13 . 1 . 1 4 4 ARG HA H 1 4.290801422 0.1 . 1 . . . . A 4 ARG HA . 31098 1 14 . 1 . 1 4 4 ARG HB2 H 1 1.68839567 0.1 . 1 . . . . A 4 ARG HB2 . 31098 1 15 . 1 . 1 4 4 ARG HB3 H 1 1.770768083 0.1 . 1 . . . . A 4 ARG HB3 . 31098 1 16 . 1 . 1 4 4 ARG HG2 H 1 1.542127166 0.1 . 1 . . . . A 4 ARG HG2 . 31098 1 17 . 1 . 1 4 4 ARG HD2 H 1 3.115030619 0.1 . 1 . . . . A 4 ARG HD2 . 31098 1 18 . 1 . 1 4 4 ARG CA C 13 55.87519989 0.1 . 1 . . . . A 4 ARG CA . 31098 1 19 . 1 . 1 4 4 ARG CB C 13 30.8970657 0.2 . 1 . . . . A 4 ARG CB . 31098 1 20 . 1 . 1 4 4 ARG CG C 13 26.96393018 0.2 . 1 . . . . A 4 ARG CG . 31098 1 21 . 1 . 1 4 4 ARG CD C 13 43.28009178 0.2 . 1 . . . . A 4 ARG CD . 31098 1 22 . 1 . 1 4 4 ARG N N 15 121.0014021 0.05 . 1 . . . . A 4 ARG N . 31098 1 23 . 1 . 1 5 5 ARG H H 1 8.599714783 0.025 . 1 . . . . A 5 ARG H . 31098 1 24 . 1 . 1 5 5 ARG HA H 1 4.336375695 0.1 . 1 . . . . A 5 ARG HA . 31098 1 25 . 1 . 1 5 5 ARG HB2 H 1 1.716318522 0.1 . 1 . . . . A 5 ARG HB2 . 31098 1 26 . 1 . 1 5 5 ARG HB3 H 1 1.914570768 0.1 . 1 . . . . A 5 ARG HB3 . 31098 1 27 . 1 . 1 5 5 ARG HG2 H 1 1.589286501 0.1 . 1 . . . . A 5 ARG HG2 . 31098 1 28 . 1 . 1 5 5 ARG HD2 H 1 3.113712429 0.1 . 1 . . . . A 5 ARG HD2 . 31098 1 29 . 1 . 1 5 5 ARG HD3 H 1 3.194093258 0.1 . 1 . . . . A 5 ARG HD3 . 31098 1 30 . 1 . 1 5 5 ARG CA C 13 56.21348411 0.1 . 1 . . . . A 5 ARG CA . 31098 1 31 . 1 . 1 5 5 ARG CB C 13 31.56023342 0.2 . 1 . . . . A 5 ARG CB . 31098 1 32 . 1 . 1 5 5 ARG CG C 13 27.22704037 0.2 . 1 . . . . A 5 ARG CG . 31098 1 33 . 1 . 1 5 5 ARG CD C 13 43.36129827 0.2 . 1 . . . . A 5 ARG CD . 31098 1 34 . 1 . 1 5 5 ARG N N 15 123.4698863 0.05 . 1 . . . . A 5 ARG N . 31098 1 35 . 1 . 1 6 6 SER H H 1 8.499532209 0.025 . 1 . . . . A 6 SER H . 31098 1 36 . 1 . 1 6 6 SER HA H 1 4.360257442 0.1 . 1 . . . . A 6 SER HA . 31098 1 37 . 1 . 1 6 6 SER HB2 H 1 3.79225145 0.1 . 1 . . . . A 6 SER HB2 . 31098 1 38 . 1 . 1 6 6 SER HB3 H 1 3.850640255 0.1 . 1 . . . . A 6 SER HB3 . 31098 1 39 . 1 . 1 6 6 SER CA C 13 58.97532072 0.1 . 1 . . . . A 6 SER CA . 31098 1 40 . 1 . 1 6 6 SER CB C 13 63.7109506 0.2 . 1 . . . . A 6 SER CB . 31098 1 41 . 1 . 1 6 6 SER N N 15 116.7110721 0.05 . 1 . . . . A 6 SER N . 31098 1 42 . 1 . 1 7 7 ASP H H 1 8.065342346 0.025 . 1 . . . . A 7 ASP H . 31098 1 43 . 1 . 1 7 7 ASP HA H 1 4.645822307 0.1 . 1 . . . . A 7 ASP HA . 31098 1 44 . 1 . 1 7 7 ASP HB2 H 1 2.523559318 0.1 . 1 . . . . A 7 ASP HB2 . 31098 1 45 . 1 . 1 7 7 ASP HB3 H 1 3.123925866 0.1 . 1 . . . . A 7 ASP HB3 . 31098 1 46 . 1 . 1 7 7 ASP CA C 13 53.58237133 0.1 . 1 . . . . A 7 ASP CA . 31098 1 47 . 1 . 1 7 7 ASP CB C 13 41.64512117 0.2 . 1 . . . . A 7 ASP CB . 31098 1 48 . 1 . 1 7 7 ASP N N 15 120.243283 0.05 . 1 . . . . A 7 ASP N . 31098 1 49 . 1 . 1 8 8 THR H H 1 7.650751655 0.025 . 1 . . . . A 8 THR H . 31098 1 50 . 1 . 1 8 8 THR HA H 1 4.980428697 0.1 . 1 . . . . A 8 THR HA . 31098 1 51 . 1 . 1 8 8 THR HB H 1 3.767471363 0.1 . 1 . . . . A 8 THR HB . 31098 1 52 . 1 . 1 8 8 THR HG21 H 1 0.9221324498 0.1 . 1 . . . . A 8 THR HG21 . 31098 1 53 . 1 . 1 8 8 THR HG22 H 1 0.9221324498 0.1 . 1 . . . . A 8 THR HG22 . 31098 1 54 . 1 . 1 8 8 THR HG23 H 1 0.9221324498 0.1 . 1 . . . . A 8 THR HG23 . 31098 1 55 . 1 . 1 8 8 THR CA C 13 61.34004173 0.1 . 1 . . . . A 8 THR CA . 31098 1 56 . 1 . 1 8 8 THR CB C 13 71.85058545 0.2 . 1 . . . . A 8 THR CB . 31098 1 57 . 1 . 1 8 8 THR CG2 C 13 20.51924973 0.2 . 1 . . . . A 8 THR CG2 . 31098 1 58 . 1 . 1 8 8 THR N N 15 114.8542565 0.05 . 1 . . . . A 8 THR N . 31098 1 59 . 1 . 1 9 9 CYS H H 1 9.281813296 0.025 . 1 . . . . A 9 CYS H . 31098 1 60 . 1 . 1 9 9 CYS HA H 1 4.245072357 0.1 . 1 . . . . A 9 CYS HA . 31098 1 61 . 1 . 1 9 9 CYS HB2 H 1 2.878860873 0.1 . 1 . . . . A 9 CYS HB2 . 31098 1 62 . 1 . 1 9 9 CYS HB3 H 1 3.405421771 0.1 . 1 . . . . A 9 CYS HB3 . 31098 1 63 . 1 . 1 9 9 CYS CA C 13 60.95855474 0.1 . 1 . . . . A 9 CYS CA . 31098 1 64 . 1 . 1 9 9 CYS CB C 13 30.11103801 0.2 . 1 . . . . A 9 CYS CB . 31098 1 65 . 1 . 1 9 9 CYS N N 15 128.62323 0.05 . 1 . . . . A 9 CYS N . 31098 1 66 . 1 . 1 10 10 GLU H H 1 11.06870802 0.025 . 1 . . . . A 10 GLU H . 31098 1 67 . 1 . 1 10 10 GLU HA H 1 4.131967214 0.1 . 1 . . . . A 10 GLU HA . 31098 1 68 . 1 . 1 10 10 GLU HB2 H 1 1.811256217 0.1 . 1 . . . . A 10 GLU HB2 . 31098 1 69 . 1 . 1 10 10 GLU HB3 H 1 1.890836345 0.1 . 1 . . . . A 10 GLU HB3 . 31098 1 70 . 1 . 1 10 10 GLU HG3 H 1 1.882728185 0.1 . 1 . . . . A 10 GLU HG3 . 31098 1 71 . 1 . 1 10 10 GLU CA C 13 58.42260899 0.1 . 1 . . . . A 10 GLU CA . 31098 1 72 . 1 . 1 10 10 GLU CB C 13 28.0838384 0.2 . 1 . . . . A 10 GLU CB . 31098 1 73 . 1 . 1 10 10 GLU CG C 13 34.910449 0.2 . 1 . . . . A 10 GLU CG . 31098 1 74 . 1 . 1 10 10 GLU N N 15 134.4724398 0.05 . 1 . . . . A 10 GLU N . 31098 1 75 . 1 . 1 11 11 TYR H H 1 9.038208016 0.025 . 1 . . . . A 11 TYR H . 31098 1 76 . 1 . 1 11 11 TYR HA H 1 4.265355603 0.1 . 1 . . . . A 11 TYR HA . 31098 1 77 . 1 . 1 11 11 TYR HB2 H 1 1.646320534 0.1 . 1 . . . . A 11 TYR HB2 . 31098 1 78 . 1 . 1 11 11 TYR HB3 H 1 2.203724712 0.1 . 1 . . . . A 11 TYR HB3 . 31098 1 79 . 1 . 1 11 11 TYR HD1 H 1 6.803831146 0.1 . 3 . . . . A 11 TYR HD1 . 31098 1 80 . 1 . 1 11 11 TYR HD2 H 1 6.803831146 0.1 . 3 . . . . A 11 TYR HD2 . 31098 1 81 . 1 . 1 11 11 TYR HE1 H 1 6.625085339 0.1 . 3 . . . . A 11 TYR HE1 . 31098 1 82 . 1 . 1 11 11 TYR HE2 H 1 6.625085339 0.1 . 3 . . . . A 11 TYR HE2 . 31098 1 83 . 1 . 1 11 11 TYR CA C 13 60.09535521 0.1 . 1 . . . . A 11 TYR CA . 31098 1 84 . 1 . 1 11 11 TYR CB C 13 36.97430502 0.2 . 1 . . . . A 11 TYR CB . 31098 1 85 . 1 . 1 11 11 TYR CD1 C 13 132.7658394 0.2 . 3 . . . . A 11 TYR CD1 . 31098 1 86 . 1 . 1 11 11 TYR CD2 C 13 132.7658394 0.2 . 3 . . . . A 11 TYR CD2 . 31098 1 87 . 1 . 1 11 11 TYR CE1 C 13 117.9754547 0.2 . 3 . . . . A 11 TYR CE1 . 31098 1 88 . 1 . 1 11 11 TYR CE2 C 13 117.9754547 0.2 . 3 . . . . A 11 TYR CE2 . 31098 1 89 . 1 . 1 11 11 TYR N N 15 122.1959827 0.05 . 1 . . . . A 11 TYR N . 31098 1 90 . 1 . 1 12 12 CYS H H 1 7.981229421 0.025 . 1 . . . . A 12 CYS H . 31098 1 91 . 1 . 1 12 12 CYS HA H 1 5.160462023 0.1 . 1 . . . . A 12 CYS HA . 31098 1 92 . 1 . 1 12 12 CYS HB2 H 1 2.846730447 0.1 . 1 . . . . A 12 CYS HB2 . 31098 1 93 . 1 . 1 12 12 CYS HB3 H 1 3.43869593 0.1 . 1 . . . . A 12 CYS HB3 . 31098 1 94 . 1 . 1 12 12 CYS CA C 13 58.35639194 0.1 . 1 . . . . A 12 CYS CA . 31098 1 95 . 1 . 1 12 12 CYS CB C 13 32.73448753 0.2 . 1 . . . . A 12 CYS CB . 31098 1 96 . 1 . 1 12 12 CYS N N 15 114.8961276 0.05 . 1 . . . . A 12 CYS N . 31098 1 97 . 1 . 1 13 13 GLY H H 1 8.217617264 0.025 . 1 . . . . A 13 GLY H . 31098 1 98 . 1 . 1 13 13 GLY HA2 H 1 3.671014415 0.1 . 1 . . . . A 13 GLY HA2 . 31098 1 99 . 1 . 1 13 13 GLY HA3 H 1 4.144549035 0.1 . 1 . . . . A 13 GLY HA3 . 31098 1 100 . 1 . 1 13 13 GLY CA C 13 46.1456269 0.1 . 1 . . . . A 13 GLY CA . 31098 1 101 . 1 . 1 13 13 GLY N N 15 113.3508122 0.05 . 1 . . . . A 13 GLY N . 31098 1 102 . 1 . 1 14 14 LYS H H 1 7.914276779 0.025 . 1 . . . . A 14 LYS H . 31098 1 103 . 1 . 1 14 14 LYS HA H 1 3.988953031 0.1 . 1 . . . . A 14 LYS HA . 31098 1 104 . 1 . 1 14 14 LYS HB2 H 1 1.247241111 0.1 . 1 . . . . A 14 LYS HB2 . 31098 1 105 . 1 . 1 14 14 LYS HB3 H 1 1.529713787 0.1 . 1 . . . . A 14 LYS HB3 . 31098 1 106 . 1 . 1 14 14 LYS HG2 H 1 0.8917664946 0.1 . 1 . . . . A 14 LYS HG2 . 31098 1 107 . 1 . 1 14 14 LYS HG3 H 1 1.35411671 0.1 . 1 . . . . A 14 LYS HG3 . 31098 1 108 . 1 . 1 14 14 LYS HD2 H 1 1.267525918 0.1 . 1 . . . . A 14 LYS HD2 . 31098 1 109 . 1 . 1 14 14 LYS HD3 H 1 1.419797368 0.1 . 1 . . . . A 14 LYS HD3 . 31098 1 110 . 1 . 1 14 14 LYS HE2 H 1 2.72957074 0.1 . 1 . . . . A 14 LYS HE2 . 31098 1 111 . 1 . 1 14 14 LYS HE3 H 1 2.807261447 0.1 . 1 . . . . A 14 LYS HE3 . 31098 1 112 . 1 . 1 14 14 LYS CA C 13 58.22844816 0.1 . 1 . . . . A 14 LYS CA . 31098 1 113 . 1 . 1 14 14 LYS CB C 13 34.18566872 0.2 . 1 . . . . A 14 LYS CB . 31098 1 114 . 1 . 1 14 14 LYS CG C 13 26.03403367 0.2 . 1 . . . . A 14 LYS CG . 31098 1 115 . 1 . 1 14 14 LYS CD C 13 29.27868023 0.2 . 1 . . . . A 14 LYS CD . 31098 1 116 . 1 . 1 14 14 LYS CE C 13 42.04711317 0.2 . 1 . . . . A 14 LYS CE . 31098 1 117 . 1 . 1 14 14 LYS N N 15 122.6891472 0.05 . 1 . . . . A 14 LYS N . 31098 1 118 . 1 . 1 15 15 VAL H H 1 7.892096084 0.025 . 1 . . . . A 15 VAL H . 31098 1 119 . 1 . 1 15 15 VAL HA H 1 4.471991688 0.1 . 1 . . . . A 15 VAL HA . 31098 1 120 . 1 . 1 15 15 VAL HB H 1 1.638339598 0.1 . 1 . . . . A 15 VAL HB . 31098 1 121 . 1 . 1 15 15 VAL HG11 H 1 0.6905695714 0.1 . 2 . . . . A 15 VAL HG11 . 31098 1 122 . 1 . 1 15 15 VAL HG12 H 1 0.6905695714 0.1 . 2 . . . . A 15 VAL HG12 . 31098 1 123 . 1 . 1 15 15 VAL HG13 H 1 0.6905695714 0.1 . 2 . . . . A 15 VAL HG13 . 31098 1 124 . 1 . 1 15 15 VAL CA C 13 61.61372685 0.1 . 1 . . . . A 15 VAL CA . 31098 1 125 . 1 . 1 15 15 VAL CB C 13 33.34126054 0.2 . 1 . . . . A 15 VAL CB . 31098 1 126 . 1 . 1 15 15 VAL CG1 C 13 21.24798227 0.2 . 1 . . . . A 15 VAL CG1 . 31098 1 127 . 1 . 1 15 15 VAL CG2 C 13 21.37296158 0.2 . 1 . . . . A 15 VAL CG2 . 31098 1 128 . 1 . 1 15 15 VAL N N 15 123.241589 0.05 . 1 . . . . A 15 VAL N . 31098 1 129 . 1 . 1 16 16 PHE H H 1 8.895327352 0.025 . 1 . . . . A 16 PHE H . 31098 1 130 . 1 . 1 16 16 PHE HD1 H 1 7.182412487 0.1 . 3 . . . . A 16 PHE HD1 . 31098 1 131 . 1 . 1 16 16 PHE HD2 H 1 7.182412487 0.1 . 3 . . . . A 16 PHE HD2 . 31098 1 132 . 1 . 1 16 16 PHE HE1 H 1 6.71177365 0.1 . 3 . . . . A 16 PHE HE1 . 31098 1 133 . 1 . 1 16 16 PHE HE2 H 1 6.71177365 0.1 . 3 . . . . A 16 PHE HE2 . 31098 1 134 . 1 . 1 16 16 PHE CB C 13 42.38919161 0.2 . 1 . . . . A 16 PHE CB . 31098 1 135 . 1 . 1 16 16 PHE CD1 C 13 132.094195 0.2 . 3 . . . . A 16 PHE CD1 . 31098 1 136 . 1 . 1 16 16 PHE CD2 C 13 132.094195 0.2 . 3 . . . . A 16 PHE CD2 . 31098 1 137 . 1 . 1 16 16 PHE CE1 C 13 130.3939185 0.2 . 3 . . . . A 16 PHE CE1 . 31098 1 138 . 1 . 1 16 16 PHE CE2 C 13 130.3939185 0.2 . 3 . . . . A 16 PHE CE2 . 31098 1 139 . 1 . 1 16 16 PHE N N 15 125.5506602 0.05 . 1 . . . . A 16 PHE N . 31098 1 140 . 1 . 1 17 17 LYS H H 1 8.678108715 0.025 . 1 . . . . A 17 LYS H . 31098 1 141 . 1 . 1 17 17 LYS HA H 1 4.190416529 0.1 . 1 . . . . A 17 LYS HA . 31098 1 142 . 1 . 1 17 17 LYS HB2 H 1 1.760442245 0.1 . 1 . . . . A 17 LYS HB2 . 31098 1 143 . 1 . 1 17 17 LYS HB3 H 1 1.853432906 0.1 . 1 . . . . A 17 LYS HB3 . 31098 1 144 . 1 . 1 17 17 LYS HG2 H 1 1.388643899 0.1 . 1 . . . . A 17 LYS HG2 . 31098 1 145 . 1 . 1 17 17 LYS HG3 H 1 1.44470592 0.1 . 1 . . . . A 17 LYS HG3 . 31098 1 146 . 1 . 1 17 17 LYS HD2 H 1 1.617482427 0.1 . 1 . . . . A 17 LYS HD2 . 31098 1 147 . 1 . 1 17 17 LYS HE2 H 1 2.904899357 0.1 . 1 . . . . A 17 LYS HE2 . 31098 1 148 . 1 . 1 17 17 LYS CA C 13 57.31005663 0.1 . 1 . . . . A 17 LYS CA . 31098 1 149 . 1 . 1 17 17 LYS CB C 13 32.81530984 0.2 . 1 . . . . A 17 LYS CB . 31098 1 150 . 1 . 1 17 17 LYS CG C 13 25.01747222 0.2 . 1 . . . . A 17 LYS CG . 31098 1 151 . 1 . 1 17 17 LYS CD C 13 28.88880685 0.2 . 1 . . . . A 17 LYS CD . 31098 1 152 . 1 . 1 17 17 LYS CE C 13 42.06096177 0.2 . 1 . . . . A 17 LYS CE . 31098 1 153 . 1 . 1 17 17 LYS N N 15 121.2769863 0.05 . 1 . . . . A 17 LYS N . 31098 1 154 . 1 . 1 18 18 ASN H H 1 7.918870296 0.025 . 1 . . . . A 18 ASN H . 31098 1 155 . 1 . 1 18 18 ASN N N 15 115.6891887 0.05 . 1 . . . . A 18 ASN N . 31098 1 156 . 1 . 1 19 19 CYS H H 1 8.939714002 0.025 . 1 . . . . A 19 CYS H . 31098 1 157 . 1 . 1 19 19 CYS N N 15 123.2289689 0.05 . 1 . . . . A 19 CYS N . 31098 1 158 . 1 . 1 20 20 SER H H 1 8.483557531 0.025 . 1 . . . . A 20 SER H . 31098 1 159 . 1 . 1 20 20 SER HA H 1 4.23027513 0.1 . 1 . . . . A 20 SER HA . 31098 1 160 . 1 . 1 20 20 SER HB2 H 1 3.954433893 0.1 . 1 . . . . A 20 SER HB2 . 31098 1 161 . 1 . 1 20 20 SER CA C 13 61.62320028 0.1 . 1 . . . . A 20 SER CA . 31098 1 162 . 1 . 1 20 20 SER CB C 13 64.45907389 0.2 . 1 . . . . A 20 SER CB . 31098 1 163 . 1 . 1 20 20 SER N N 15 118.8874801 0.05 . 1 . . . . A 20 SER N . 31098 1 164 . 1 . 1 21 21 ASN H H 1 8.038129245 0.025 . 1 . . . . A 21 ASN H . 31098 1 165 . 1 . 1 21 21 ASN HA H 1 4.433292344 0.1 . 1 . . . . A 21 ASN HA . 31098 1 166 . 1 . 1 21 21 ASN HB2 H 1 2.877223535 0.1 . 1 . . . . A 21 ASN HB2 . 31098 1 167 . 1 . 1 21 21 ASN HB3 H 1 2.981522763 0.1 . 1 . . . . A 21 ASN HB3 . 31098 1 168 . 1 . 1 21 21 ASN CA C 13 55.06015627 0.1 . 1 . . . . A 21 ASN CA . 31098 1 169 . 1 . 1 21 21 ASN CB C 13 38.01690018 0.2 . 1 . . . . A 21 ASN CB . 31098 1 170 . 1 . 1 21 21 ASN N N 15 119.4128799 0.05 . 1 . . . . A 21 ASN N . 31098 1 171 . 1 . 1 22 22 LEU H H 1 7.441814525 0.025 . 1 . . . . A 22 LEU H . 31098 1 172 . 1 . 1 22 22 LEU HA H 1 3.107519968 0.1 . 1 . . . . A 22 LEU HA . 31098 1 173 . 1 . 1 22 22 LEU HB2 H 1 1.195709551 0.1 . 1 . . . . A 22 LEU HB2 . 31098 1 174 . 1 . 1 22 22 LEU HB3 H 1 1.944320427 0.1 . 1 . . . . A 22 LEU HB3 . 31098 1 175 . 1 . 1 22 22 LEU HG H 1 1.360716034 0.1 . 1 . . . . A 22 LEU HG . 31098 1 176 . 1 . 1 22 22 LEU HD11 H 1 0.7942327937 0.1 . 2 . . . . A 22 LEU HD11 . 31098 1 177 . 1 . 1 22 22 LEU HD12 H 1 0.7942327937 0.1 . 2 . . . . A 22 LEU HD12 . 31098 1 178 . 1 . 1 22 22 LEU HD13 H 1 0.7942327937 0.1 . 2 . . . . A 22 LEU HD13 . 31098 1 179 . 1 . 1 22 22 LEU HD21 H 1 0.8202865236 0.1 . 2 . . . . A 22 LEU HD21 . 31098 1 180 . 1 . 1 22 22 LEU HD22 H 1 0.8202865236 0.1 . 2 . . . . A 22 LEU HD22 . 31098 1 181 . 1 . 1 22 22 LEU HD23 H 1 0.8202865236 0.1 . 2 . . . . A 22 LEU HD23 . 31098 1 182 . 1 . 1 22 22 LEU CA C 13 57.84650818 0.1 . 1 . . . . A 22 LEU CA . 31098 1 183 . 1 . 1 22 22 LEU CB C 13 40.37037642 0.2 . 1 . . . . A 22 LEU CB . 31098 1 184 . 1 . 1 22 22 LEU CG C 13 27.33803396 0.2 . 1 . . . . A 22 LEU CG . 31098 1 185 . 1 . 1 22 22 LEU CD1 C 13 22.54524667 0.2 . 1 . . . . A 22 LEU CD1 . 31098 1 186 . 1 . 1 22 22 LEU CD2 C 13 26.43785317 0.2 . 1 . . . . A 22 LEU CD2 . 31098 1 187 . 1 . 1 22 22 LEU N N 15 122.8795203 0.05 . 1 . . . . A 22 LEU N . 31098 1 188 . 1 . 1 23 23 THR H H 1 8.156387689 0.025 . 1 . . . . A 23 THR H . 31098 1 189 . 1 . 1 23 23 THR HA H 1 3.728215543 0.1 . 1 . . . . A 23 THR HA . 31098 1 190 . 1 . 1 23 23 THR HG21 H 1 1.164060697 0.1 . 1 . . . . A 23 THR HG21 . 31098 1 191 . 1 . 1 23 23 THR HG22 H 1 1.164060697 0.1 . 1 . . . . A 23 THR HG22 . 31098 1 192 . 1 . 1 23 23 THR HG23 H 1 1.164060697 0.1 . 1 . . . . A 23 THR HG23 . 31098 1 193 . 1 . 1 23 23 THR CA C 13 67.10857127 0.1 . 1 . . . . A 23 THR CA . 31098 1 194 . 1 . 1 23 23 THR CB C 13 68.78528502 0.2 . 1 . . . . A 23 THR CB . 31098 1 195 . 1 . 1 23 23 THR CG2 C 13 21.60993724 0.2 . 1 . . . . A 23 THR CG2 . 31098 1 196 . 1 . 1 23 23 THR N N 15 116.820506 0.05 . 1 . . . . A 23 THR N . 31098 1 197 . 1 . 1 24 24 VAL H H 1 7.448386199 0.025 . 1 . . . . A 24 VAL H . 31098 1 198 . 1 . 1 24 24 VAL HA H 1 3.484314792 0.1 . 1 . . . . A 24 VAL HA . 31098 1 199 . 1 . 1 24 24 VAL HB H 1 1.920490683 0.1 . 1 . . . . A 24 VAL HB . 31098 1 200 . 1 . 1 24 24 VAL HG11 H 1 0.8605442767 0.1 . 2 . . . . A 24 VAL HG11 . 31098 1 201 . 1 . 1 24 24 VAL HG12 H 1 0.8605442767 0.1 . 2 . . . . A 24 VAL HG12 . 31098 1 202 . 1 . 1 24 24 VAL HG13 H 1 0.8605442767 0.1 . 2 . . . . A 24 VAL HG13 . 31098 1 203 . 1 . 1 24 24 VAL HG21 H 1 0.995746029 0.1 . 2 . . . . A 24 VAL HG21 . 31098 1 204 . 1 . 1 24 24 VAL HG22 H 1 0.995746029 0.1 . 2 . . . . A 24 VAL HG22 . 31098 1 205 . 1 . 1 24 24 VAL HG23 H 1 0.995746029 0.1 . 2 . . . . A 24 VAL HG23 . 31098 1 206 . 1 . 1 24 24 VAL CA C 13 66.37862177 0.1 . 1 . . . . A 24 VAL CA . 31098 1 207 . 1 . 1 24 24 VAL CB C 13 32.09619475 0.2 . 1 . . . . A 24 VAL CB . 31098 1 208 . 1 . 1 24 24 VAL CG1 C 13 20.96868267 0.2 . 1 . . . . A 24 VAL CG1 . 31098 1 209 . 1 . 1 24 24 VAL CG2 C 13 22.41027404 0.2 . 1 . . . . A 24 VAL CG2 . 31098 1 210 . 1 . 1 24 24 VAL N N 15 120.0803366 0.05 . 1 . . . . A 24 VAL N . 31098 1 211 . 1 . 1 25 25 HIS H H 1 7.85303286 0.025 . 1 . . . . A 25 HIS H . 31098 1 212 . 1 . 1 25 25 HIS HA H 1 4.111114821 0.1 . 1 . . . . A 25 HIS HA . 31098 1 213 . 1 . 1 25 25 HIS HB2 H 1 2.898265635 0.1 . 1 . . . . A 25 HIS HB2 . 31098 1 214 . 1 . 1 25 25 HIS HD2 H 1 6.950683768 0.1 . 1 . . . . A 25 HIS HD2 . 31098 1 215 . 1 . 1 25 25 HIS CA C 13 59.69206916 0.1 . 1 . . . . A 25 HIS CA . 31098 1 216 . 1 . 1 25 25 HIS CB C 13 28.32658905 0.2 . 1 . . . . A 25 HIS CB . 31098 1 217 . 1 . 1 25 25 HIS CD2 C 13 127.5788152 0.2 . 1 . . . . A 25 HIS CD2 . 31098 1 218 . 1 . 1 25 25 HIS N N 15 119.9194189 0.05 . 1 . . . . A 25 HIS N . 31098 1 219 . 1 . 1 26 26 ARG H H 1 8.949084694 0.025 . 1 . . . . A 26 ARG H . 31098 1 220 . 1 . 1 26 26 ARG HA H 1 3.800455223 0.1 . 1 . . . . A 26 ARG HA . 31098 1 221 . 1 . 1 26 26 ARG HB2 H 1 1.984519424 0.1 . 1 . . . . A 26 ARG HB2 . 31098 1 222 . 1 . 1 26 26 ARG HB3 H 1 2.019146741 0.1 . 1 . . . . A 26 ARG HB3 . 31098 1 223 . 1 . 1 26 26 ARG HD2 H 1 3.328061397 0.1 . 1 . . . . A 26 ARG HD2 . 31098 1 224 . 1 . 1 26 26 ARG CA C 13 60.82778222 0.1 . 1 . . . . A 26 ARG CA . 31098 1 225 . 1 . 1 26 26 ARG CB C 13 30.77068016 0.2 . 1 . . . . A 26 ARG CB . 31098 1 226 . 1 . 1 26 26 ARG CG C 13 29.86271858 0.2 . 1 . . . . A 26 ARG CG . 31098 1 227 . 1 . 1 26 26 ARG CD C 13 43.78388519 0.2 . 1 . . . . A 26 ARG CD . 31098 1 228 . 1 . 1 26 26 ARG N N 15 120.605575 0.05 . 1 . . . . A 26 ARG N . 31098 1 229 . 1 . 1 27 27 ARG H H 1 7.245058342 0.025 . 1 . . . . A 27 ARG H . 31098 1 230 . 1 . 1 27 27 ARG HA H 1 4.089086371 0.1 . 1 . . . . A 27 ARG HA . 31098 1 231 . 1 . 1 27 27 ARG HB2 H 1 1.801811602 0.1 . 1 . . . . A 27 ARG HB2 . 31098 1 232 . 1 . 1 27 27 ARG HB3 H 1 1.843887424 0.1 . 1 . . . . A 27 ARG HB3 . 31098 1 233 . 1 . 1 27 27 ARG HG2 H 1 1.60074833 0.1 . 1 . . . . A 27 ARG HG2 . 31098 1 234 . 1 . 1 27 27 ARG HD2 H 1 3.111979542 0.1 . 1 . . . . A 27 ARG HD2 . 31098 1 235 . 1 . 1 27 27 ARG CA C 13 58.31134114 0.1 . 1 . . . . A 27 ARG CA . 31098 1 236 . 1 . 1 27 27 ARG CB C 13 29.70439677 0.2 . 1 . . . . A 27 ARG CB . 31098 1 237 . 1 . 1 27 27 ARG CG C 13 27.91247988 0.2 . 1 . . . . A 27 ARG CG . 31098 1 238 . 1 . 1 27 27 ARG CD C 13 43.80777868 0.2 . 1 . . . . A 27 ARG CD . 31098 1 239 . 1 . 1 27 27 ARG N N 15 116.4402698 0.05 . 1 . . . . A 27 ARG N . 31098 1 240 . 1 . 1 28 28 SER H H 1 7.739115432 0.025 . 1 . . . . A 28 SER H . 31098 1 241 . 1 . 1 28 28 SER HA H 1 4.062213116 0.1 . 1 . . . . A 28 SER HA . 31098 1 242 . 1 . 1 28 28 SER HB2 H 1 3.586245511 0.1 . 1 . . . . A 28 SER HB2 . 31098 1 243 . 1 . 1 28 28 SER HB3 H 1 3.677145967 0.1 . 1 . . . . A 28 SER HB3 . 31098 1 244 . 1 . 1 28 28 SER CA C 13 60.57970842 0.1 . 1 . . . . A 28 SER CA . 31098 1 245 . 1 . 1 28 28 SER CB C 13 62.94953188 0.2 . 1 . . . . A 28 SER CB . 31098 1 246 . 1 . 1 28 28 SER N N 15 114.6895479 0.05 . 1 . . . . A 28 SER N . 31098 1 247 . 1 . 1 29 29 HIS H H 1 7.138929713 0.025 . 1 . . . . A 29 HIS H . 31098 1 248 . 1 . 1 29 29 HIS HA H 1 4.499210144 0.1 . 1 . . . . A 29 HIS HA . 31098 1 249 . 1 . 1 29 29 HIS HB2 H 1 2.147505115 0.1 . 1 . . . . A 29 HIS HB2 . 31098 1 250 . 1 . 1 29 29 HIS HB3 H 1 2.364942836 0.1 . 1 . . . . A 29 HIS HB3 . 31098 1 251 . 1 . 1 29 29 HIS HD2 H 1 6.498798999 0.1 . 1 . . . . A 29 HIS HD2 . 31098 1 252 . 1 . 1 29 29 HIS CA C 13 55.5442763 0.1 . 1 . . . . A 29 HIS CA . 31098 1 253 . 1 . 1 29 29 HIS CB C 13 27.94396406 0.2 . 1 . . . . A 29 HIS CB . 31098 1 254 . 1 . 1 29 29 HIS CD2 C 13 128.418574 0.2 . 1 . . . . A 29 HIS CD2 . 31098 1 255 . 1 . 1 29 29 HIS N N 15 119.2715367 0.05 . 1 . . . . A 29 HIS N . 31098 1 256 . 1 . 1 30 30 THR H H 1 7.558464716 0.025 . 1 . . . . A 30 THR H . 31098 1 257 . 1 . 1 30 30 THR HA H 1 4.123695907 0.1 . 1 . . . . A 30 THR HA . 31098 1 258 . 1 . 1 30 30 THR HG21 H 1 1.084561834 0.1 . 1 . . . . A 30 THR HG21 . 31098 1 259 . 1 . 1 30 30 THR HG22 H 1 1.084561834 0.1 . 1 . . . . A 30 THR HG22 . 31098 1 260 . 1 . 1 30 30 THR HG23 H 1 1.084561834 0.1 . 1 . . . . A 30 THR HG23 . 31098 1 261 . 1 . 1 30 30 THR CA C 13 62.37128508 0.1 . 1 . . . . A 30 THR CA . 31098 1 262 . 1 . 1 30 30 THR CB C 13 69.4504859 0.2 . 1 . . . . A 30 THR CB . 31098 1 263 . 1 . 1 30 30 THR CG2 C 13 21.25296446 0.2 . 1 . . . . A 30 THR CG2 . 31098 1 264 . 1 . 1 30 30 THR N N 15 111.6624395 0.05 . 1 . . . . A 30 THR N . 31098 1 265 . 1 . 1 31 31 GLY H H 1 8.221736919 0.025 . 1 . . . . A 31 GLY H . 31098 1 266 . 1 . 1 31 31 GLY HA2 H 1 3.788533756 0.1 . 1 . . . . A 31 GLY HA2 . 31098 1 267 . 1 . 1 31 31 GLY CA C 13 45.13101372 0.1 . 1 . . . . A 31 GLY CA . 31098 1 268 . 1 . 1 31 31 GLY N N 15 110.4794825 0.05 . 1 . . . . A 31 GLY N . 31098 1 269 . 1 . 1 32 32 GLU H H 1 8.01919465 0.025 . 1 . . . . A 32 GLU H . 31098 1 270 . 1 . 1 32 32 GLU HA H 1 4.075834384 0.1 . 1 . . . . A 32 GLU HA . 31098 1 271 . 1 . 1 32 32 GLU HB2 H 1 1.838323247 0.1 . 1 . . . . A 32 GLU HB2 . 31098 1 272 . 1 . 1 32 32 GLU HB3 H 1 2.123046565 0.1 . 1 . . . . A 32 GLU HB3 . 31098 1 273 . 1 . 1 32 32 GLU HG2 H 1 2.122947341 0.1 . 1 . . . . A 32 GLU HG2 . 31098 1 274 . 1 . 1 32 32 GLU HG3 H 1 2.163045105 0.1 . 1 . . . . A 32 GLU HG3 . 31098 1 275 . 1 . 1 32 32 GLU CA C 13 57.04538989 0.1 . 1 . . . . A 32 GLU CA . 31098 1 276 . 1 . 1 32 32 GLU CB C 13 30.02224089 0.2 . 1 . . . . A 32 GLU CB . 31098 1 277 . 1 . 1 32 32 GLU CG C 13 36.37407721 0.2 . 1 . . . . A 32 GLU CG . 31098 1 278 . 1 . 1 32 32 GLU N N 15 119.476216 0.05 . 1 . . . . A 32 GLU N . 31098 1 279 . 1 . 1 33 33 ARG H H 1 8.32927143 0.025 . 1 . . . . A 33 ARG H . 31098 1 280 . 1 . 1 33 33 ARG N N 15 120.5303471 0.05 . 1 . . . . A 33 ARG N . 31098 1 281 . 1 . 1 34 34 PRO HA H 1 4.145858479 0.1 . 1 . . . . A 34 PRO HA . 31098 1 282 . 1 . 1 34 34 PRO HB2 H 1 1.230067763 0.1 . 1 . . . . A 34 PRO HB2 . 31098 1 283 . 1 . 1 34 34 PRO HB3 H 1 1.860108197 0.1 . 1 . . . . A 34 PRO HB3 . 31098 1 284 . 1 . 1 34 34 PRO HG2 H 1 1.54718387 0.1 . 1 . . . . A 34 PRO HG2 . 31098 1 285 . 1 . 1 34 34 PRO HG3 H 1 1.742315769 0.1 . 1 . . . . A 34 PRO HG3 . 31098 1 286 . 1 . 1 34 34 PRO HD2 H 1 3.443617384 0.1 . 1 . . . . A 34 PRO HD2 . 31098 1 287 . 1 . 1 34 34 PRO HD3 H 1 3.485639274 0.1 . 1 . . . . A 34 PRO HD3 . 31098 1 288 . 1 . 1 34 34 PRO CA C 13 63.67793655 0.1 . 1 . . . . A 34 PRO CA . 31098 1 289 . 1 . 1 34 34 PRO CB C 13 32.14066365 0.2 . 1 . . . . A 34 PRO CB . 31098 1 290 . 1 . 1 34 34 PRO CG C 13 26.62090642 0.2 . 1 . . . . A 34 PRO CG . 31098 1 291 . 1 . 1 34 34 PRO CD C 13 50.21228935 0.2 . 1 . . . . A 34 PRO CD . 31098 1 292 . 1 . 1 35 35 TYR H H 1 7.785706449 0.025 . 1 . . . . A 35 TYR H . 31098 1 293 . 1 . 1 35 35 TYR HA H 1 4.460671482 0.1 . 1 . . . . A 35 TYR HA . 31098 1 294 . 1 . 1 35 35 TYR HB2 H 1 2.688499236 0.1 . 1 . . . . A 35 TYR HB2 . 31098 1 295 . 1 . 1 35 35 TYR HB3 H 1 2.969351344 0.1 . 1 . . . . A 35 TYR HB3 . 31098 1 296 . 1 . 1 35 35 TYR HD1 H 1 6.880114466 0.1 . 3 . . . . A 35 TYR HD1 . 31098 1 297 . 1 . 1 35 35 TYR HD2 H 1 6.880114466 0.1 . 3 . . . . A 35 TYR HD2 . 31098 1 298 . 1 . 1 35 35 TYR HE1 H 1 6.731471301 0.1 . 3 . . . . A 35 TYR HE1 . 31098 1 299 . 1 . 1 35 35 TYR HE2 H 1 6.731471301 0.1 . 3 . . . . A 35 TYR HE2 . 31098 1 300 . 1 . 1 35 35 TYR CA C 13 58.05197783 0.1 . 1 . . . . A 35 TYR CA . 31098 1 301 . 1 . 1 35 35 TYR CB C 13 38.06499207 0.2 . 1 . . . . A 35 TYR CB . 31098 1 302 . 1 . 1 35 35 TYR CD1 C 13 132.8017239 0.2 . 3 . . . . A 35 TYR CD1 . 31098 1 303 . 1 . 1 35 35 TYR CD2 C 13 132.8017239 0.2 . 3 . . . . A 35 TYR CD2 . 31098 1 304 . 1 . 1 35 35 TYR CE1 C 13 118.0697187 0.2 . 3 . . . . A 35 TYR CE1 . 31098 1 305 . 1 . 1 35 35 TYR CE2 C 13 118.0697187 0.2 . 3 . . . . A 35 TYR CE2 . 31098 1 306 . 1 . 1 35 35 TYR N N 15 118.8358468 0.05 . 1 . . . . A 35 TYR N . 31098 1 307 . 1 . 1 36 36 LYS H H 1 8.297630107 0.025 . 1 . . . . A 36 LYS H . 31098 1 308 . 1 . 1 36 36 LYS HA H 1 4.84272798 0.1 . 1 . . . . A 36 LYS HA . 31098 1 309 . 1 . 1 36 36 LYS HB2 H 1 1.577349956 0.1 . 1 . . . . A 36 LYS HB2 . 31098 1 310 . 1 . 1 36 36 LYS HB3 H 1 1.810702076 0.1 . 1 . . . . A 36 LYS HB3 . 31098 1 311 . 1 . 1 36 36 LYS HG2 H 1 1.277236418 0.1 . 1 . . . . A 36 LYS HG2 . 31098 1 312 . 1 . 1 36 36 LYS HG3 H 1 1.315354798 0.1 . 1 . . . . A 36 LYS HG3 . 31098 1 313 . 1 . 1 36 36 LYS HD2 H 1 1.549737713 0.1 . 1 . . . . A 36 LYS HD2 . 31098 1 314 . 1 . 1 36 36 LYS HD3 H 1 1.615838965 0.1 . 1 . . . . A 36 LYS HD3 . 31098 1 315 . 1 . 1 36 36 LYS HE2 H 1 2.892016528 0.1 . 1 . . . . A 36 LYS HE2 . 31098 1 316 . 1 . 1 36 36 LYS CA C 13 54.61722322 0.1 . 1 . . . . A 36 LYS CA . 31098 1 317 . 1 . 1 36 36 LYS CB C 13 35.01382772 0.2 . 1 . . . . A 36 LYS CB . 31098 1 318 . 1 . 1 36 36 LYS CG C 13 24.51602324 0.2 . 1 . . . . A 36 LYS CG . 31098 1 319 . 1 . 1 36 36 LYS CD C 13 28.97734205 0.2 . 1 . . . . A 36 LYS CD . 31098 1 320 . 1 . 1 36 36 LYS CE C 13 42.2599721 0.2 . 1 . . . . A 36 LYS CE . 31098 1 321 . 1 . 1 36 36 LYS N N 15 123.4628671 0.05 . 1 . . . . A 36 LYS N . 31098 1 322 . 1 . 1 37 37 CYS H H 1 8.718330859 0.025 . 1 . . . . A 37 CYS H . 31098 1 323 . 1 . 1 37 37 CYS HA H 1 4.314783157 0.1 . 1 . . . . A 37 CYS HA . 31098 1 324 . 1 . 1 37 37 CYS HB2 H 1 2.702329081 0.1 . 1 . . . . A 37 CYS HB2 . 31098 1 325 . 1 . 1 37 37 CYS HB3 H 1 3.306014383 0.1 . 1 . . . . A 37 CYS HB3 . 31098 1 326 . 1 . 1 37 37 CYS CA C 13 60.11507494 0.1 . 1 . . . . A 37 CYS CA . 31098 1 327 . 1 . 1 37 37 CYS CB C 13 30.52418742 0.2 . 1 . . . . A 37 CYS CB . 31098 1 328 . 1 . 1 37 37 CYS N N 15 127.2754041 0.05 . 1 . . . . A 37 CYS N . 31098 1 329 . 1 . 1 38 38 GLU H H 1 8.938493391 0.025 . 1 . . . . A 38 GLU H . 31098 1 330 . 1 . 1 38 38 GLU HA H 1 4.28791002 0.1 . 1 . . . . A 38 GLU HA . 31098 1 331 . 1 . 1 38 38 GLU HB2 H 1 1.948019222 0.1 . 1 . . . . A 38 GLU HB2 . 31098 1 332 . 1 . 1 38 38 GLU HB3 H 1 2.116473563 0.1 . 1 . . . . A 38 GLU HB3 . 31098 1 333 . 1 . 1 38 38 GLU HG2 H 1 2.296465226 0.1 . 1 . . . . A 38 GLU HG2 . 31098 1 334 . 1 . 1 38 38 GLU HG3 H 1 2.343977869 0.1 . 1 . . . . A 38 GLU HG3 . 31098 1 335 . 1 . 1 38 38 GLU CA C 13 57.96768595 0.1 . 1 . . . . A 38 GLU CA . 31098 1 336 . 1 . 1 38 38 GLU CB C 13 30.53318089 0.2 . 1 . . . . A 38 GLU CB . 31098 1 337 . 1 . 1 38 38 GLU CG C 13 36.60174596 0.2 . 1 . . . . A 38 GLU CG . 31098 1 338 . 1 . 1 38 38 GLU N N 15 126.5101713 0.05 . 1 . . . . A 38 GLU N . 31098 1 339 . 1 . 1 39 39 LEU H H 1 9.698612276 0.025 . 1 . . . . A 39 LEU H . 31098 1 340 . 1 . 1 39 39 LEU HA H 1 4.311714881 0.1 . 1 . . . . A 39 LEU HA . 31098 1 341 . 1 . 1 39 39 LEU HB2 H 1 0.7636949662 0.1 . 1 . . . . A 39 LEU HB2 . 31098 1 342 . 1 . 1 39 39 LEU HB3 H 1 0.9294407334 0.1 . 1 . . . . A 39 LEU HB3 . 31098 1 343 . 1 . 1 39 39 LEU HG H 1 1.310481089 0.1 . 1 . . . . A 39 LEU HG . 31098 1 344 . 1 . 1 39 39 LEU HD11 H 1 0.4657716192 0.1 . 2 . . . . A 39 LEU HD11 . 31098 1 345 . 1 . 1 39 39 LEU HD12 H 1 0.4657716192 0.1 . 2 . . . . A 39 LEU HD12 . 31098 1 346 . 1 . 1 39 39 LEU HD13 H 1 0.4657716192 0.1 . 2 . . . . A 39 LEU HD13 . 31098 1 347 . 1 . 1 39 39 LEU HD21 H 1 0.6150550246 0.1 . 2 . . . . A 39 LEU HD21 . 31098 1 348 . 1 . 1 39 39 LEU HD22 H 1 0.6150550246 0.1 . 2 . . . . A 39 LEU HD22 . 31098 1 349 . 1 . 1 39 39 LEU HD23 H 1 0.6150550246 0.1 . 2 . . . . A 39 LEU HD23 . 31098 1 350 . 1 . 1 39 39 LEU CA C 13 55.68368664 0.1 . 1 . . . . A 39 LEU CA . 31098 1 351 . 1 . 1 39 39 LEU CB C 13 42.80823236 0.2 . 1 . . . . A 39 LEU CB . 31098 1 352 . 1 . 1 39 39 LEU CG C 13 27.12077642 0.2 . 1 . . . . A 39 LEU CG . 31098 1 353 . 1 . 1 39 39 LEU CD1 C 13 25.04585986 0.2 . 1 . . . . A 39 LEU CD1 . 31098 1 354 . 1 . 1 39 39 LEU CD2 C 13 22.5487917 0.2 . 1 . . . . A 39 LEU CD2 . 31098 1 355 . 1 . 1 39 39 LEU N N 15 122.5276382 0.05 . 1 . . . . A 39 LEU N . 31098 1 356 . 1 . 1 40 40 CYS H H 1 8.035079299 0.025 . 1 . . . . A 40 CYS H . 31098 1 357 . 1 . 1 40 40 CYS HA H 1 4.89911317 0.1 . 1 . . . . A 40 CYS HA . 31098 1 358 . 1 . 1 40 40 CYS HB2 H 1 3.041843281 0.1 . 1 . . . . A 40 CYS HB2 . 31098 1 359 . 1 . 1 40 40 CYS HB3 H 1 3.302377542 0.1 . 1 . . . . A 40 CYS HB3 . 31098 1 360 . 1 . 1 40 40 CYS CA C 13 58.42841124 0.1 . 1 . . . . A 40 CYS CA . 31098 1 361 . 1 . 1 40 40 CYS CB C 13 30.36065492 0.2 . 1 . . . . A 40 CYS CB . 31098 1 362 . 1 . 1 40 40 CYS N N 15 120.4721683 0.05 . 1 . . . . A 40 CYS N . 31098 1 363 . 1 . 1 41 41 ASN H H 1 8.080861002 0.025 . 1 . . . . A 41 ASN H . 31098 1 364 . 1 . 1 41 41 ASN HA H 1 4.696849963 0.1 . 1 . . . . A 41 ASN HA . 31098 1 365 . 1 . 1 41 41 ASN HB2 H 1 2.883641405 0.1 . 1 . . . . A 41 ASN HB2 . 31098 1 366 . 1 . 1 41 41 ASN CA C 13 54.02557121 0.1 . 1 . . . . A 41 ASN CA . 31098 1 367 . 1 . 1 41 41 ASN CB C 13 38.0388316 0.2 . 1 . . . . A 41 ASN CB . 31098 1 368 . 1 . 1 41 41 ASN N N 15 115.024925 0.05 . 1 . . . . A 41 ASN N . 31098 1 369 . 1 . 1 42 42 TYR H H 1 8.849459408 0.025 . 1 . . . . A 42 TYR H . 31098 1 370 . 1 . 1 42 42 TYR HA H 1 3.995680367 0.1 . 1 . . . . A 42 TYR HA . 31098 1 371 . 1 . 1 42 42 TYR HB2 H 1 1.920954181 0.1 . 1 . . . . A 42 TYR HB2 . 31098 1 372 . 1 . 1 42 42 TYR HB3 H 1 2.725378394 0.1 . 1 . . . . A 42 TYR HB3 . 31098 1 373 . 1 . 1 42 42 TYR HD1 H 1 6.4257415 0.1 . 3 . . . . A 42 TYR HD1 . 31098 1 374 . 1 . 1 42 42 TYR HD2 H 1 6.4257415 0.1 . 3 . . . . A 42 TYR HD2 . 31098 1 375 . 1 . 1 42 42 TYR HE1 H 1 6.566754938 0.1 . 3 . . . . A 42 TYR HE1 . 31098 1 376 . 1 . 1 42 42 TYR HE2 H 1 6.566754938 0.1 . 3 . . . . A 42 TYR HE2 . 31098 1 377 . 1 . 1 42 42 TYR CA C 13 60.66978108 0.1 . 1 . . . . A 42 TYR CA . 31098 1 378 . 1 . 1 42 42 TYR CB C 13 40.06930211 0.2 . 1 . . . . A 42 TYR CB . 31098 1 379 . 1 . 1 42 42 TYR CD1 C 13 132.1836242 0.2 . 3 . . . . A 42 TYR CD1 . 31098 1 380 . 1 . 1 42 42 TYR CD2 C 13 132.1836242 0.2 . 3 . . . . A 42 TYR CD2 . 31098 1 381 . 1 . 1 42 42 TYR CE1 C 13 117.4786772 0.2 . 3 . . . . A 42 TYR CE1 . 31098 1 382 . 1 . 1 42 42 TYR CE2 C 13 117.4786772 0.2 . 3 . . . . A 42 TYR CE2 . 31098 1 383 . 1 . 1 42 42 TYR N N 15 125.8928517 0.05 . 1 . . . . A 42 TYR N . 31098 1 384 . 1 . 1 43 43 ALA H H 1 7.068298612 0.025 . 1 . . . . A 43 ALA H . 31098 1 385 . 1 . 1 43 43 ALA HA H 1 5.020958916 0.1 . 1 . . . . A 43 ALA HA . 31098 1 386 . 1 . 1 43 43 ALA HB1 H 1 1.127764259 0.1 . 1 . . . . A 43 ALA HB1 . 31098 1 387 . 1 . 1 43 43 ALA HB2 H 1 1.127764259 0.1 . 1 . . . . A 43 ALA HB2 . 31098 1 388 . 1 . 1 43 43 ALA HB3 H 1 1.127764259 0.1 . 1 . . . . A 43 ALA HB3 . 31098 1 389 . 1 . 1 43 43 ALA CA C 13 50.22441789 0.1 . 1 . . . . A 43 ALA CA . 31098 1 390 . 1 . 1 43 43 ALA CB C 13 22.49454739 0.2 . 1 . . . . A 43 ALA CB . 31098 1 391 . 1 . 1 43 43 ALA N N 15 128.4806627 0.05 . 1 . . . . A 43 ALA N . 31098 1 392 . 1 . 1 44 44 CYS H H 1 9.000000315 0.025 . 1 . . . . A 44 CYS H . 31098 1 393 . 1 . 1 44 44 CYS N N 15 114.507268 0.05 . 1 . . . . A 44 CYS N . 31098 1 394 . 1 . 1 45 45 ALA H H 1 8.773182622 0.025 . 1 . . . . A 45 ALA H . 31098 1 395 . 1 . 1 45 45 ALA HA H 1 4.697375788 0.1 . 1 . . . . A 45 ALA HA . 31098 1 396 . 1 . 1 45 45 ALA HB1 H 1 1.541515158 0.1 . 1 . . . . A 45 ALA HB1 . 31098 1 397 . 1 . 1 45 45 ALA HB2 H 1 1.541515158 0.1 . 1 . . . . A 45 ALA HB2 . 31098 1 398 . 1 . 1 45 45 ALA HB3 H 1 1.541515158 0.1 . 1 . . . . A 45 ALA HB3 . 31098 1 399 . 1 . 1 45 45 ALA CA C 13 53.09337665 0.1 . 1 . . . . A 45 ALA CA . 31098 1 400 . 1 . 1 45 45 ALA CB C 13 20.63161094 0.2 . 1 . . . . A 45 ALA CB . 31098 1 401 . 1 . 1 45 45 ALA N N 15 120.4256732 0.05 . 1 . . . . A 45 ALA N . 31098 1 402 . 1 . 1 46 46 GLN H H 1 7.194992824 0.025 . 1 . . . . A 46 GLN H . 31098 1 403 . 1 . 1 46 46 GLN CB C 13 33.90363379 0.2 . 1 . . . . A 46 GLN CB . 31098 1 404 . 1 . 1 46 46 GLN N N 15 114.8128206 0.05 . 1 . . . . A 46 GLN N . 31098 1 405 . 1 . 1 47 47 SER H H 1 8.733815025 0.025 . 1 . . . . A 47 SER H . 31098 1 406 . 1 . 1 47 47 SER N N 15 122.4353655 0.05 . 1 . . . . A 47 SER N . 31098 1 407 . 1 . 1 48 48 SER H H 1 8.557364364 0.025 . 1 . . . . A 48 SER H . 31098 1 408 . 1 . 1 48 48 SER HA H 1 4.093807885 0.1 . 1 . . . . A 48 SER HA . 31098 1 409 . 1 . 1 48 48 SER HB2 H 1 3.83774977 0.1 . 1 . . . . A 48 SER HB2 . 31098 1 410 . 1 . 1 48 48 SER CA C 13 60.86884464 0.1 . 1 . . . . A 48 SER CA . 31098 1 411 . 1 . 1 48 48 SER CB C 13 61.95255588 0.2 . 1 . . . . A 48 SER CB . 31098 1 412 . 1 . 1 48 48 SER N N 15 115.9771984 0.05 . 1 . . . . A 48 SER N . 31098 1 413 . 1 . 1 49 49 LYS H H 1 6.930136104 0.025 . 1 . . . . A 49 LYS H . 31098 1 414 . 1 . 1 49 49 LYS HA H 1 4.095283219 0.1 . 1 . . . . A 49 LYS HA . 31098 1 415 . 1 . 1 49 49 LYS HB2 H 1 2.089358561 0.1 . 1 . . . . A 49 LYS HB2 . 31098 1 416 . 1 . 1 49 49 LYS HB3 H 1 2.144759229 0.1 . 1 . . . . A 49 LYS HB3 . 31098 1 417 . 1 . 1 49 49 LYS HG2 H 1 1.508637422 0.1 . 1 . . . . A 49 LYS HG2 . 31098 1 418 . 1 . 1 49 49 LYS HG3 H 1 1.57818972 0.1 . 1 . . . . A 49 LYS HG3 . 31098 1 419 . 1 . 1 49 49 LYS HD2 H 1 1.746232122 0.1 . 1 . . . . A 49 LYS HD2 . 31098 1 420 . 1 . 1 49 49 LYS HE2 H 1 2.996476963 0.1 . 1 . . . . A 49 LYS HE2 . 31098 1 421 . 1 . 1 49 49 LYS CA C 13 58.79594871 0.1 . 1 . . . . A 49 LYS CA . 31098 1 422 . 1 . 1 49 49 LYS CB C 13 32.42406499 0.2 . 1 . . . . A 49 LYS CB . 31098 1 423 . 1 . 1 49 49 LYS CG C 13 26.1170306 0.2 . 1 . . . . A 49 LYS CG . 31098 1 424 . 1 . 1 49 49 LYS CD C 13 29.4778672 0.2 . 1 . . . . A 49 LYS CD . 31098 1 425 . 1 . 1 49 49 LYS CE C 13 42.19586321 0.2 . 1 . . . . A 49 LYS CE . 31098 1 426 . 1 . 1 49 49 LYS N N 15 122.1472184 0.05 . 1 . . . . A 49 LYS N . 31098 1 427 . 1 . 1 50 50 LEU H H 1 7.402684225 0.025 . 1 . . . . A 50 LEU H . 31098 1 428 . 1 . 1 50 50 LEU HA H 1 4.27807507 0.1 . 1 . . . . A 50 LEU HA . 31098 1 429 . 1 . 1 50 50 LEU HB2 H 1 1.244508297 0.1 . 1 . . . . A 50 LEU HB2 . 31098 1 430 . 1 . 1 50 50 LEU HB3 H 1 2.067528546 0.1 . 1 . . . . A 50 LEU HB3 . 31098 1 431 . 1 . 1 50 50 LEU HG H 1 1.697553034 0.1 . 1 . . . . A 50 LEU HG . 31098 1 432 . 1 . 1 50 50 LEU HD11 H 1 0.9545772501 0.1 . 2 . . . . A 50 LEU HD11 . 31098 1 433 . 1 . 1 50 50 LEU HD12 H 1 0.9545772501 0.1 . 2 . . . . A 50 LEU HD12 . 31098 1 434 . 1 . 1 50 50 LEU HD13 H 1 0.9545772501 0.1 . 2 . . . . A 50 LEU HD13 . 31098 1 435 . 1 . 1 50 50 LEU HD21 H 1 0.9681334334 0.1 . 2 . . . . A 50 LEU HD21 . 31098 1 436 . 1 . 1 50 50 LEU HD22 H 1 0.9681334334 0.1 . 2 . . . . A 50 LEU HD22 . 31098 1 437 . 1 . 1 50 50 LEU HD23 H 1 0.9681334334 0.1 . 2 . . . . A 50 LEU HD23 . 31098 1 438 . 1 . 1 50 50 LEU CA C 13 57.77000469 0.1 . 1 . . . . A 50 LEU CA . 31098 1 439 . 1 . 1 50 50 LEU CB C 13 40.45453045 0.2 . 1 . . . . A 50 LEU CB . 31098 1 440 . 1 . 1 50 50 LEU CG C 13 27.1914958 0.2 . 1 . . . . A 50 LEU CG . 31098 1 441 . 1 . 1 50 50 LEU CD1 C 13 22.66940345 0.2 . 1 . . . . A 50 LEU CD1 . 31098 1 442 . 1 . 1 50 50 LEU CD2 C 13 25.78116158 0.2 . 1 . . . . A 50 LEU CD2 . 31098 1 443 . 1 . 1 50 50 LEU N N 15 124.8988359 0.05 . 1 . . . . A 50 LEU N . 31098 1 444 . 1 . 1 51 51 THR H H 1 8.224323361 0.025 . 1 . . . . A 51 THR H . 31098 1 445 . 1 . 1 51 51 THR HA H 1 3.777590051 0.1 . 1 . . . . A 51 THR HA . 31098 1 446 . 1 . 1 51 51 THR HB H 1 4.106474964 0.1 . 1 . . . . A 51 THR HB . 31098 1 447 . 1 . 1 51 51 THR HG21 H 1 1.145855475 0.1 . 1 . . . . A 51 THR HG21 . 31098 1 448 . 1 . 1 51 51 THR HG22 H 1 1.145855475 0.1 . 1 . . . . A 51 THR HG22 . 31098 1 449 . 1 . 1 51 51 THR HG23 H 1 1.145855475 0.1 . 1 . . . . A 51 THR HG23 . 31098 1 450 . 1 . 1 51 51 THR CA C 13 66.89939577 0.1 . 1 . . . . A 51 THR CA . 31098 1 451 . 1 . 1 51 51 THR CB C 13 68.43763947 0.2 . 1 . . . . A 51 THR CB . 31098 1 452 . 1 . 1 51 51 THR CG2 C 13 22.10801753 0.2 . 1 . . . . A 51 THR CG2 . 31098 1 453 . 1 . 1 51 51 THR N N 15 116.7028742 0.05 . 1 . . . . A 51 THR N . 31098 1 454 . 1 . 1 52 52 ARG H H 1 7.416597323 0.025 . 1 . . . . A 52 ARG H . 31098 1 455 . 1 . 1 52 52 ARG HA H 1 3.94607107 0.1 . 1 . . . . A 52 ARG HA . 31098 1 456 . 1 . 1 52 52 ARG HB2 H 1 1.859270211 0.1 . 1 . . . . A 52 ARG HB2 . 31098 1 457 . 1 . 1 52 52 ARG HG2 H 1 1.556942944 0.1 . 1 . . . . A 52 ARG HG2 . 31098 1 458 . 1 . 1 52 52 ARG HG3 H 1 1.699050298 0.1 . 1 . . . . A 52 ARG HG3 . 31098 1 459 . 1 . 1 52 52 ARG HD2 H 1 3.130335104 0.1 . 1 . . . . A 52 ARG HD2 . 31098 1 460 . 1 . 1 52 52 ARG CA C 13 59.56149917 0.1 . 1 . . . . A 52 ARG CA . 31098 1 461 . 1 . 1 52 52 ARG CB C 13 30.0238602 0.2 . 1 . . . . A 52 ARG CB . 31098 1 462 . 1 . 1 52 52 ARG CG C 13 27.46168259 0.2 . 1 . . . . A 52 ARG CG . 31098 1 463 . 1 . 1 52 52 ARG CD C 13 43.41383701 0.2 . 1 . . . . A 52 ARG CD . 31098 1 464 . 1 . 1 52 52 ARG N N 15 120.2616492 0.05 . 1 . . . . A 52 ARG N . 31098 1 465 . 1 . 1 53 53 HIS H H 1 8.061224452 0.025 . 1 . . . . A 53 HIS H . 31098 1 466 . 1 . 1 53 53 HIS HA H 1 4.002415188 0.1 . 1 . . . . A 53 HIS HA . 31098 1 467 . 1 . 1 53 53 HIS HB2 H 1 2.694038486 0.1 . 1 . . . . A 53 HIS HB2 . 31098 1 468 . 1 . 1 53 53 HIS HB3 H 1 3.376233469 0.1 . 1 . . . . A 53 HIS HB3 . 31098 1 469 . 1 . 1 53 53 HIS HD2 H 1 7.063816715 0.1 . 1 . . . . A 53 HIS HD2 . 31098 1 470 . 1 . 1 53 53 HIS CA C 13 59.45384787 0.1 . 1 . . . . A 53 HIS CA . 31098 1 471 . 1 . 1 53 53 HIS CB C 13 27.91243599 0.2 . 1 . . . . A 53 HIS CB . 31098 1 472 . 1 . 1 53 53 HIS CD2 C 13 127.3972215 0.2 . 1 . . . . A 53 HIS CD2 . 31098 1 473 . 1 . 1 53 53 HIS N N 15 119.8773267 0.05 . 1 . . . . A 53 HIS N . 31098 1 474 . 1 . 1 54 54 MET H H 1 8.640699145 0.025 . 1 . . . . A 54 MET H . 31098 1 475 . 1 . 1 54 54 MET HA H 1 4.159527498 0.1 . 1 . . . . A 54 MET HA . 31098 1 476 . 1 . 1 54 54 MET HB2 H 1 2.877395081 0.1 . 1 . . . . A 54 MET HB2 . 31098 1 477 . 1 . 1 54 54 MET HB3 H 1 2.936181226 0.1 . 1 . . . . A 54 MET HB3 . 31098 1 478 . 1 . 1 54 54 MET HG2 H 1 2.138951951 0.1 . 1 . . . . A 54 MET HG2 . 31098 1 479 . 1 . 1 54 54 MET HG3 H 1 2.241810042 0.1 . 1 . . . . A 54 MET HG3 . 31098 1 480 . 1 . 1 54 54 MET CA C 13 57.37826386 0.1 . 1 . . . . A 54 MET CA . 31098 1 481 . 1 . 1 54 54 MET CB C 13 31.24856873 0.2 . 1 . . . . A 54 MET CB . 31098 1 482 . 1 . 1 54 54 MET CG C 13 29.54951529 0.2 . 1 . . . . A 54 MET CG . 31098 1 483 . 1 . 1 54 54 MET N N 15 118.6986435 0.05 . 1 . . . . A 54 MET N . 31098 1 484 . 1 . 1 55 55 LYS H H 1 7.329650656 0.025 . 1 . . . . A 55 LYS H . 31098 1 485 . 1 . 1 55 55 LYS HA H 1 4.071618287 0.1 . 1 . . . . A 55 LYS HA . 31098 1 486 . 1 . 1 55 55 LYS HB2 H 1 1.835424593 0.1 . 1 . . . . A 55 LYS HB2 . 31098 1 487 . 1 . 1 55 55 LYS HG2 H 1 1.440468689 0.1 . 1 . . . . A 55 LYS HG2 . 31098 1 488 . 1 . 1 55 55 LYS HG3 H 1 1.597243874 0.1 . 1 . . . . A 55 LYS HG3 . 31098 1 489 . 1 . 1 55 55 LYS HD2 H 1 1.610629091 0.1 . 1 . . . . A 55 LYS HD2 . 31098 1 490 . 1 . 1 55 55 LYS HE2 H 1 2.88097795 0.1 . 1 . . . . A 55 LYS HE2 . 31098 1 491 . 1 . 1 55 55 LYS CA C 13 58.6839035 0.1 . 1 . . . . A 55 LYS CA . 31098 1 492 . 1 . 1 55 55 LYS CB C 13 31.99585823 0.2 . 1 . . . . A 55 LYS CB . 31098 1 493 . 1 . 1 55 55 LYS CG C 13 25.16789483 0.2 . 1 . . . . A 55 LYS CG . 31098 1 494 . 1 . 1 55 55 LYS CD C 13 28.98325591 0.2 . 1 . . . . A 55 LYS CD . 31098 1 495 . 1 . 1 55 55 LYS CE C 13 42.09182947 0.2 . 1 . . . . A 55 LYS CE . 31098 1 496 . 1 . 1 55 55 LYS N N 15 118.5095892 0.05 . 1 . . . . A 55 LYS N . 31098 1 497 . 1 . 1 56 56 THR H H 1 7.739708678 0.025 . 1 . . . . A 56 THR H . 31098 1 498 . 1 . 1 56 56 THR HA H 1 4.018217236 0.1 . 1 . . . . A 56 THR HA . 31098 1 499 . 1 . 1 56 56 THR HB H 1 3.881079106 0.1 . 1 . . . . A 56 THR HB . 31098 1 500 . 1 . 1 56 56 THR HG21 H 1 0.9961470791 0.1 . 1 . . . . A 56 THR HG21 . 31098 1 501 . 1 . 1 56 56 THR HG22 H 1 0.9961470791 0.1 . 1 . . . . A 56 THR HG22 . 31098 1 502 . 1 . 1 56 56 THR HG23 H 1 0.9961470791 0.1 . 1 . . . . A 56 THR HG23 . 31098 1 503 . 1 . 1 56 56 THR CA C 13 63.74915544 0.1 . 1 . . . . A 56 THR CA . 31098 1 504 . 1 . 1 56 56 THR CB C 13 69.07524669 0.2 . 1 . . . . A 56 THR CB . 31098 1 505 . 1 . 1 56 56 THR CG2 C 13 20.79996843 0.2 . 1 . . . . A 56 THR CG2 . 31098 1 506 . 1 . 1 56 56 THR N N 15 110.0682808 0.05 . 1 . . . . A 56 THR N . 31098 1 507 . 1 . 1 57 57 HIS H H 1 7.124186305 0.025 . 1 . . . . A 57 HIS H . 31098 1 508 . 1 . 1 57 57 HIS HA H 1 4.63776318 0.1 . 1 . . . . A 57 HIS HA . 31098 1 509 . 1 . 1 57 57 HIS HB2 H 1 2.973723687 0.1 . 1 . . . . A 57 HIS HB2 . 31098 1 510 . 1 . 1 57 57 HIS HB3 H 1 3.128956903 0.1 . 1 . . . . A 57 HIS HB3 . 31098 1 511 . 1 . 1 57 57 HIS HD2 H 1 6.602576724 0.1 . 1 . . . . A 57 HIS HD2 . 31098 1 512 . 1 . 1 57 57 HIS CA C 13 55.71046817 0.1 . 1 . . . . A 57 HIS CA . 31098 1 513 . 1 . 1 57 57 HIS CB C 13 29.12101855 0.2 . 1 . . . . A 57 HIS CB . 31098 1 514 . 1 . 1 57 57 HIS CD2 C 13 127.3045448 0.2 . 1 . . . . A 57 HIS CD2 . 31098 1 515 . 1 . 1 57 57 HIS N N 15 118.6835234 0.05 . 1 . . . . A 57 HIS N . 31098 1 516 . 1 . 1 58 58 GLY H H 1 7.804047585 0.025 . 1 . . . . A 58 GLY H . 31098 1 517 . 1 . 1 58 58 GLY HA2 H 1 3.910963141 0.1 . 1 . . . . A 58 GLY HA2 . 31098 1 518 . 1 . 1 58 58 GLY CA C 13 45.50953495 0.1 . 1 . . . . A 58 GLY CA . 31098 1 519 . 1 . 1 58 58 GLY N N 15 107.6982939 0.05 . 1 . . . . A 58 GLY N . 31098 1 520 . 1 . 1 59 59 GLN H H 1 8.156786344 0.025 . 1 . . . . A 59 GLN H . 31098 1 521 . 1 . 1 59 59 GLN HA H 1 4.314585959 0.1 . 1 . . . . A 59 GLN HA . 31098 1 522 . 1 . 1 59 59 GLN HB2 H 1 1.852529312 0.1 . 1 . . . . A 59 GLN HB2 . 31098 1 523 . 1 . 1 59 59 GLN HB3 H 1 1.987605806 0.1 . 1 . . . . A 59 GLN HB3 . 31098 1 524 . 1 . 1 59 59 GLN HG2 H 1 2.225360874 0.1 . 1 . . . . A 59 GLN HG2 . 31098 1 525 . 1 . 1 59 59 GLN CA C 13 55.67847622 0.1 . 1 . . . . A 59 GLN CA . 31098 1 526 . 1 . 1 59 59 GLN CB C 13 29.41872672 0.2 . 1 . . . . A 59 GLN CB . 31098 1 527 . 1 . 1 59 59 GLN CG C 13 33.77755668 0.2 . 1 . . . . A 59 GLN CG . 31098 1 528 . 1 . 1 59 59 GLN N N 15 120.095017 0.05 . 1 . . . . A 59 GLN N . 31098 1 529 . 1 . 1 60 60 VAL H H 1 8.193960637 0.025 . 1 . . . . A 60 VAL H . 31098 1 530 . 1 . 1 60 60 VAL HA H 1 4.065761622 0.1 . 1 . . . . A 60 VAL HA . 31098 1 531 . 1 . 1 60 60 VAL HB H 1 2.020576846 0.1 . 1 . . . . A 60 VAL HB . 31098 1 532 . 1 . 1 60 60 VAL HG11 H 1 0.8601754394 0.1 . 2 . . . . A 60 VAL HG11 . 31098 1 533 . 1 . 1 60 60 VAL HG12 H 1 0.8601754394 0.1 . 2 . . . . A 60 VAL HG12 . 31098 1 534 . 1 . 1 60 60 VAL HG13 H 1 0.8601754394 0.1 . 2 . . . . A 60 VAL HG13 . 31098 1 535 . 1 . 1 60 60 VAL HG21 H 1 0.8675063862 0.1 . 2 . . . . A 60 VAL HG21 . 31098 1 536 . 1 . 1 60 60 VAL HG22 H 1 0.8675063862 0.1 . 2 . . . . A 60 VAL HG22 . 31098 1 537 . 1 . 1 60 60 VAL HG23 H 1 0.8675063862 0.1 . 2 . . . . A 60 VAL HG23 . 31098 1 538 . 1 . 1 60 60 VAL CA C 13 62.45723247 0.1 . 1 . . . . A 60 VAL CA . 31098 1 539 . 1 . 1 60 60 VAL CB C 13 32.68227788 0.2 . 1 . . . . A 60 VAL CB . 31098 1 540 . 1 . 1 60 60 VAL CG1 C 13 20.51260393 0.2 . 1 . . . . A 60 VAL CG1 . 31098 1 541 . 1 . 1 60 60 VAL CG2 C 13 21.17261643 0.2 . 1 . . . . A 60 VAL CG2 . 31098 1 542 . 1 . 1 60 60 VAL N N 15 121.8139286 0.05 . 1 . . . . A 60 VAL N . 31098 1 543 . 1 . 1 61 61 GLY H H 1 8.454442642 0.025 . 1 . . . . A 61 GLY H . 31098 1 544 . 1 . 1 61 61 GLY HA2 H 1 3.893603762 0.1 . 1 . . . . A 61 GLY HA2 . 31098 1 545 . 1 . 1 61 61 GLY CA C 13 45.19202148 0.1 . 1 . . . . A 61 GLY CA . 31098 1 546 . 1 . 1 61 61 GLY N N 15 112.4868508 0.05 . 1 . . . . A 61 GLY N . 31098 1 547 . 1 . 1 62 62 LYS H H 1 8.077204872 0.025 . 1 . . . . A 62 LYS H . 31098 1 548 . 1 . 1 62 62 LYS HA H 1 4.256684012 0.1 . 1 . . . . A 62 LYS HA . 31098 1 549 . 1 . 1 62 62 LYS HB2 H 1 1.713103022 0.1 . 1 . . . . A 62 LYS HB2 . 31098 1 550 . 1 . 1 62 62 LYS HG2 H 1 1.271331236 0.1 . 1 . . . . A 62 LYS HG2 . 31098 1 551 . 1 . 1 62 62 LYS HG3 H 1 1.304348609 0.1 . 1 . . . . A 62 LYS HG3 . 31098 1 552 . 1 . 1 62 62 LYS HD2 H 1 1.579640063 0.1 . 1 . . . . A 62 LYS HD2 . 31098 1 553 . 1 . 1 62 62 LYS HE2 H 1 2.910161624 0.1 . 1 . . . . A 62 LYS HE2 . 31098 1 554 . 1 . 1 62 62 LYS CA C 13 56.0887076 0.1 . 1 . . . . A 62 LYS CA . 31098 1 555 . 1 . 1 62 62 LYS CB C 13 33.1514247 0.2 . 1 . . . . A 62 LYS CB . 31098 1 556 . 1 . 1 62 62 LYS CG C 13 24.51719577 0.2 . 1 . . . . A 62 LYS CG . 31098 1 557 . 1 . 1 62 62 LYS CD C 13 28.96534591 0.2 . 1 . . . . A 62 LYS CD . 31098 1 558 . 1 . 1 62 62 LYS CE C 13 42.12814198 0.2 . 1 . . . . A 62 LYS CE . 31098 1 559 . 1 . 1 62 62 LYS N N 15 120.2758598 0.05 . 1 . . . . A 62 LYS N . 31098 1 560 . 1 . 1 63 63 ASP H H 1 8.316884871 0.025 . 1 . . . . A 63 ASP H . 31098 1 561 . 1 . 1 63 63 ASP HA H 1 4.444202837 0.1 . 1 . . . . A 63 ASP HA . 31098 1 562 . 1 . 1 63 63 ASP HB2 H 1 2.4593332 0.1 . 1 . . . . A 63 ASP HB2 . 31098 1 563 . 1 . 1 63 63 ASP CA C 13 54.33156645 0.1 . 1 . . . . A 63 ASP CA . 31098 1 564 . 1 . 1 63 63 ASP CB C 13 40.94129659 0.2 . 1 . . . . A 63 ASP CB . 31098 1 565 . 1 . 1 63 63 ASP N N 15 121.0431887 0.05 . 1 . . . . A 63 ASP N . 31098 1 566 . 1 . 1 64 64 VAL H H 1 7.624939607 0.025 . 1 . . . . A 64 VAL H . 31098 1 567 . 1 . 1 64 64 VAL HA H 1 3.976920405 0.1 . 1 . . . . A 64 VAL HA . 31098 1 568 . 1 . 1 64 64 VAL HB H 1 1.777468661 0.1 . 1 . . . . A 64 VAL HB . 31098 1 569 . 1 . 1 64 64 VAL HG11 H 1 0.6012280532 0.1 . 2 . . . . A 64 VAL HG11 . 31098 1 570 . 1 . 1 64 64 VAL HG12 H 1 0.6012280532 0.1 . 2 . . . . A 64 VAL HG12 . 31098 1 571 . 1 . 1 64 64 VAL HG13 H 1 0.6012280532 0.1 . 2 . . . . A 64 VAL HG13 . 31098 1 572 . 1 . 1 64 64 VAL HG21 H 1 0.6597389392 0.1 . 2 . . . . A 64 VAL HG21 . 31098 1 573 . 1 . 1 64 64 VAL HG22 H 1 0.6597389392 0.1 . 2 . . . . A 64 VAL HG22 . 31098 1 574 . 1 . 1 64 64 VAL HG23 H 1 0.6597389392 0.1 . 2 . . . . A 64 VAL HG23 . 31098 1 575 . 1 . 1 64 64 VAL CA C 13 62.09175964 0.1 . 1 . . . . A 64 VAL CA . 31098 1 576 . 1 . 1 64 64 VAL CB C 13 33.54173867 0.2 . 1 . . . . A 64 VAL CB . 31098 1 577 . 1 . 1 64 64 VAL CG1 C 13 21.12245368 0.2 . 1 . . . . A 64 VAL CG1 . 31098 1 578 . 1 . 1 64 64 VAL CG2 C 13 20.3137413 0.2 . 1 . . . . A 64 VAL CG2 . 31098 1 579 . 1 . 1 64 64 VAL N N 15 117.7574835 0.05 . 1 . . . . A 64 VAL N . 31098 1 580 . 1 . 1 65 65 TYR H H 1 8.486786413 0.025 . 1 . . . . A 65 TYR H . 31098 1 581 . 1 . 1 65 65 TYR HA H 1 4.749016914 0.1 . 1 . . . . A 65 TYR HA . 31098 1 582 . 1 . 1 65 65 TYR HB2 H 1 2.688339737 0.1 . 1 . . . . A 65 TYR HB2 . 31098 1 583 . 1 . 1 65 65 TYR HB3 H 1 3.070250878 0.1 . 1 . . . . A 65 TYR HB3 . 31098 1 584 . 1 . 1 65 65 TYR HD1 H 1 6.969438128 0.1 . 3 . . . . A 65 TYR HD1 . 31098 1 585 . 1 . 1 65 65 TYR HD2 H 1 6.969438128 0.1 . 3 . . . . A 65 TYR HD2 . 31098 1 586 . 1 . 1 65 65 TYR HE1 H 1 6.791180695 0.1 . 3 . . . . A 65 TYR HE1 . 31098 1 587 . 1 . 1 65 65 TYR HE2 H 1 6.791180695 0.1 . 3 . . . . A 65 TYR HE2 . 31098 1 588 . 1 . 1 65 65 TYR CA C 13 56.53957368 0.1 . 1 . . . . A 65 TYR CA . 31098 1 589 . 1 . 1 65 65 TYR CB C 13 40.28381658 0.2 . 1 . . . . A 65 TYR CB . 31098 1 590 . 1 . 1 65 65 TYR CD1 C 13 133.0078249 0.2 . 3 . . . . A 65 TYR CD1 . 31098 1 591 . 1 . 1 65 65 TYR CD2 C 13 133.0078249 0.2 . 3 . . . . A 65 TYR CD2 . 31098 1 592 . 1 . 1 65 65 TYR CE1 C 13 118.346631 0.2 . 3 . . . . A 65 TYR CE1 . 31098 1 593 . 1 . 1 65 65 TYR CE2 C 13 118.346631 0.2 . 3 . . . . A 65 TYR CE2 . 31098 1 594 . 1 . 1 65 65 TYR N N 15 122.6285928 0.05 . 1 . . . . A 65 TYR N . 31098 1 595 . 1 . 1 66 66 LYS H H 1 8.631317022 0.025 . 1 . . . . A 66 LYS H . 31098 1 596 . 1 . 1 66 66 LYS HA H 1 5.026278476 0.1 . 1 . . . . A 66 LYS HA . 31098 1 597 . 1 . 1 66 66 LYS HB2 H 1 1.368920301 0.1 . 1 . . . . A 66 LYS HB2 . 31098 1 598 . 1 . 1 66 66 LYS HB3 H 1 1.453536506 0.1 . 1 . . . . A 66 LYS HB3 . 31098 1 599 . 1 . 1 66 66 LYS HG2 H 1 1.012169729 0.1 . 1 . . . . A 66 LYS HG2 . 31098 1 600 . 1 . 1 66 66 LYS HG3 H 1 1.083500641 0.1 . 1 . . . . A 66 LYS HG3 . 31098 1 601 . 1 . 1 66 66 LYS HD2 H 1 1.468746997 0.1 . 1 . . . . A 66 LYS HD2 . 31098 1 602 . 1 . 1 66 66 LYS HE2 H 1 2.769040389 0.1 . 1 . . . . A 66 LYS HE2 . 31098 1 603 . 1 . 1 66 66 LYS CA C 13 54.91123987 0.1 . 1 . . . . A 66 LYS CA . 31098 1 604 . 1 . 1 66 66 LYS CB C 13 35.28630238 0.2 . 1 . . . . A 66 LYS CB . 31098 1 605 . 1 . 1 66 66 LYS CG C 13 24.90413367 0.2 . 1 . . . . A 66 LYS CG . 31098 1 606 . 1 . 1 66 66 LYS CD C 13 29.42716037 0.2 . 1 . . . . A 66 LYS CD . 31098 1 607 . 1 . 1 66 66 LYS CE C 13 41.8742093 0.2 . 1 . . . . A 66 LYS CE . 31098 1 608 . 1 . 1 66 66 LYS N N 15 121.1548933 0.05 . 1 . . . . A 66 LYS N . 31098 1 609 . 1 . 1 67 67 CYS H H 1 8.696670281 0.025 . 1 . . . . A 67 CYS H . 31098 1 610 . 1 . 1 67 67 CYS HA H 1 4.386139111 0.1 . 1 . . . . A 67 CYS HA . 31098 1 611 . 1 . 1 67 67 CYS HB2 H 1 2.738431866 0.1 . 1 . . . . A 67 CYS HB2 . 31098 1 612 . 1 . 1 67 67 CYS HB3 H 1 3.06770251 0.1 . 1 . . . . A 67 CYS HB3 . 31098 1 613 . 1 . 1 67 67 CYS CA C 13 59.66181588 0.1 . 1 . . . . A 67 CYS CA . 31098 1 614 . 1 . 1 67 67 CYS CB C 13 29.64759475 0.2 . 1 . . . . A 67 CYS CB . 31098 1 615 . 1 . 1 67 67 CYS N N 15 125.4399282 0.05 . 1 . . . . A 67 CYS N . 31098 1 616 . 1 . 1 68 68 GLU H H 1 9.471929164 0.025 . 1 . . . . A 68 GLU H . 31098 1 617 . 1 . 1 68 68 GLU HA H 1 4.041396142 0.1 . 1 . . . . A 68 GLU HA . 31098 1 618 . 1 . 1 68 68 GLU HB2 H 1 2.007357443 0.1 . 1 . . . . A 68 GLU HB2 . 31098 1 619 . 1 . 1 68 68 GLU HB3 H 1 2.050514332 0.1 . 1 . . . . A 68 GLU HB3 . 31098 1 620 . 1 . 1 68 68 GLU HG2 H 1 2.313110193 0.1 . 1 . . . . A 68 GLU HG2 . 31098 1 621 . 1 . 1 68 68 GLU CA C 13 58.59268472 0.1 . 1 . . . . A 68 GLU CA . 31098 1 622 . 1 . 1 68 68 GLU CB C 13 30.10579114 0.2 . 1 . . . . A 68 GLU CB . 31098 1 623 . 1 . 1 68 68 GLU CG C 13 36.16412842 0.2 . 1 . . . . A 68 GLU CG . 31098 1 624 . 1 . 1 68 68 GLU N N 15 131.2835374 0.05 . 1 . . . . A 68 GLU N . 31098 1 625 . 1 . 1 69 69 ILE H H 1 8.824262935 0.025 . 1 . . . . A 69 ILE H . 31098 1 626 . 1 . 1 69 69 ILE HA H 1 3.850113995 0.1 . 1 . . . . A 69 ILE HA . 31098 1 627 . 1 . 1 69 69 ILE HB H 1 0.8468674712 0.1 . 1 . . . . A 69 ILE HB . 31098 1 628 . 1 . 1 69 69 ILE HG12 H 1 0.9626778883 0.1 . 1 . . . . A 69 ILE HG12 . 31098 1 629 . 1 . 1 69 69 ILE HG13 H 1 1.161029926 0.1 . 1 . . . . A 69 ILE HG13 . 31098 1 630 . 1 . 1 69 69 ILE HG21 H 1 0.5602546229 0.1 . 1 . . . . A 69 ILE HG21 . 31098 1 631 . 1 . 1 69 69 ILE HG22 H 1 0.5602546229 0.1 . 1 . . . . A 69 ILE HG22 . 31098 1 632 . 1 . 1 69 69 ILE HG23 H 1 0.5602546229 0.1 . 1 . . . . A 69 ILE HG23 . 31098 1 633 . 1 . 1 69 69 ILE HD11 H 1 0.5091931111 0.1 . 1 . . . . A 69 ILE HD11 . 31098 1 634 . 1 . 1 69 69 ILE HD12 H 1 0.5091931111 0.1 . 1 . . . . A 69 ILE HD12 . 31098 1 635 . 1 . 1 69 69 ILE HD13 H 1 0.5091931111 0.1 . 1 . . . . A 69 ILE HD13 . 31098 1 636 . 1 . 1 69 69 ILE CA C 13 63.3182604 0.1 . 1 . . . . A 69 ILE CA . 31098 1 637 . 1 . 1 69 69 ILE CB C 13 38.22432533 0.2 . 1 . . . . A 69 ILE CB . 31098 1 638 . 1 . 1 69 69 ILE CG1 C 13 28.02764156 0.2 . 1 . . . . A 69 ILE CG1 . 31098 1 639 . 1 . 1 69 69 ILE CG2 C 13 17.6116698 0.2 . 1 . . . . A 69 ILE CG2 . 31098 1 640 . 1 . 1 69 69 ILE CD1 C 13 12.23669962 0.2 . 1 . . . . A 69 ILE CD1 . 31098 1 641 . 1 . 1 69 69 ILE N N 15 120.9814566 0.05 . 1 . . . . A 69 ILE N . 31098 1 642 . 1 . 1 70 70 CYS H H 1 8.699451507 0.025 . 1 . . . . A 70 CYS H . 31098 1 643 . 1 . 1 70 70 CYS HA H 1 4.935269358 0.1 . 1 . . . . A 70 CYS HA . 31098 1 644 . 1 . 1 70 70 CYS HB2 H 1 2.861726139 0.1 . 1 . . . . A 70 CYS HB2 . 31098 1 645 . 1 . 1 70 70 CYS HB3 H 1 3.266076981 0.1 . 1 . . . . A 70 CYS HB3 . 31098 1 646 . 1 . 1 70 70 CYS CA C 13 59.01823383 0.1 . 1 . . . . A 70 CYS CA . 31098 1 647 . 1 . 1 70 70 CYS CB C 13 31.51970378 0.2 . 1 . . . . A 70 CYS CB . 31098 1 648 . 1 . 1 70 70 CYS N N 15 118.9172713 0.05 . 1 . . . . A 70 CYS N . 31098 1 649 . 1 . 1 71 71 LYS H H 1 7.770507527 0.025 . 1 . . . . A 71 LYS H . 31098 1 650 . 1 . 1 71 71 LYS HA H 1 4.039545393 0.1 . 1 . . . . A 71 LYS HA . 31098 1 651 . 1 . 1 71 71 LYS HB2 H 1 1.849020196 0.1 . 1 . . . . A 71 LYS HB2 . 31098 1 652 . 1 . 1 71 71 LYS HB3 H 1 2.167406857 0.1 . 1 . . . . A 71 LYS HB3 . 31098 1 653 . 1 . 1 71 71 LYS HG2 H 1 1.114103967 0.1 . 1 . . . . A 71 LYS HG2 . 31098 1 654 . 1 . 1 71 71 LYS HG3 H 1 1.268512931 0.1 . 1 . . . . A 71 LYS HG3 . 31098 1 655 . 1 . 1 71 71 LYS HD2 H 1 1.447303488 0.1 . 1 . . . . A 71 LYS HD2 . 31098 1 656 . 1 . 1 71 71 LYS HD3 H 1 1.538938425 0.1 . 1 . . . . A 71 LYS HD3 . 31098 1 657 . 1 . 1 71 71 LYS HE2 H 1 2.83855265 0.1 . 1 . . . . A 71 LYS HE2 . 31098 1 658 . 1 . 1 71 71 LYS HE3 H 1 2.877134018 0.1 . 1 . . . . A 71 LYS HE3 . 31098 1 659 . 1 . 1 71 71 LYS CA C 13 57.64381568 0.1 . 1 . . . . A 71 LYS CA . 31098 1 660 . 1 . 1 71 71 LYS CB C 13 28.54562482 0.2 . 1 . . . . A 71 LYS CB . 31098 1 661 . 1 . 1 71 71 LYS CG C 13 25.05573202 0.2 . 1 . . . . A 71 LYS CG . 31098 1 662 . 1 . 1 71 71 LYS CD C 13 28.51827361 0.2 . 1 . . . . A 71 LYS CD . 31098 1 663 . 1 . 1 71 71 LYS CE C 13 42.52885231 0.2 . 1 . . . . A 71 LYS CE . 31098 1 664 . 1 . 1 71 71 LYS N N 15 116.3976169 0.05 . 1 . . . . A 71 LYS N . 31098 1 665 . 1 . 1 72 72 MET H H 1 7.654075968 0.025 . 1 . . . . A 72 MET H . 31098 1 666 . 1 . 1 72 72 MET N N 15 122.5217946 0.05 . 1 . . . . A 72 MET N . 31098 1 667 . 1 . 1 73 73 PRO HA H 1 4.92737988 0.1 . 1 . . . . A 73 PRO HA . 31098 1 668 . 1 . 1 73 73 PRO HB2 H 1 1.699666426 0.1 . 1 . . . . A 73 PRO HB2 . 31098 1 669 . 1 . 1 73 73 PRO HB3 H 1 1.779216453 0.1 . 1 . . . . A 73 PRO HB3 . 31098 1 670 . 1 . 1 73 73 PRO HG2 H 1 1.832468136 0.1 . 1 . . . . A 73 PRO HG2 . 31098 1 671 . 1 . 1 73 73 PRO HD2 H 1 3.419220625 0.1 . 1 . . . . A 73 PRO HD2 . 31098 1 672 . 1 . 1 73 73 PRO HD3 H 1 3.688904337 0.1 . 1 . . . . A 73 PRO HD3 . 31098 1 673 . 1 . 1 73 73 PRO CA C 13 61.52090082 0.1 . 1 . . . . A 73 PRO CA . 31098 1 674 . 1 . 1 73 73 PRO CB C 13 32.98178307 0.2 . 1 . . . . A 73 PRO CB . 31098 1 675 . 1 . 1 73 73 PRO CG C 13 26.50987756 0.2 . 1 . . . . A 73 PRO CG . 31098 1 676 . 1 . 1 73 73 PRO CD C 13 50.64619829 0.2 . 1 . . . . A 73 PRO CD . 31098 1 677 . 1 . 1 73 73 PRO N N 15 120 0.05 . 1 . . . . A 73 PRO N . 31098 1 678 . 1 . 1 74 74 PHE H H 1 8.521745568 0.025 . 1 . . . . A 74 PHE H . 31098 1 679 . 1 . 1 74 74 PHE HB2 H 1 2.513090127 0.1 . 1 . . . . A 74 PHE HB2 . 31098 1 680 . 1 . 1 74 74 PHE HB3 H 1 3.155928552 0.1 . 1 . . . . A 74 PHE HB3 . 31098 1 681 . 1 . 1 74 74 PHE HD1 H 1 7.042584629 0.1 . 3 . . . . A 74 PHE HD1 . 31098 1 682 . 1 . 1 74 74 PHE HD2 H 1 7.042584629 0.1 . 3 . . . . A 74 PHE HD2 . 31098 1 683 . 1 . 1 74 74 PHE HE1 H 1 6.67784881 0.1 . 3 . . . . A 74 PHE HE1 . 31098 1 684 . 1 . 1 74 74 PHE HE2 H 1 6.67784881 0.1 . 3 . . . . A 74 PHE HE2 . 31098 1 685 . 1 . 1 74 74 PHE CB C 13 43.79044287 0.2 . 1 . . . . A 74 PHE CB . 31098 1 686 . 1 . 1 74 74 PHE CD1 C 13 132.4401772 0.2 . 3 . . . . A 74 PHE CD1 . 31098 1 687 . 1 . 1 74 74 PHE CD2 C 13 132.4401772 0.2 . 3 . . . . A 74 PHE CD2 . 31098 1 688 . 1 . 1 74 74 PHE CE1 C 13 130.3135646 0.2 . 3 . . . . A 74 PHE CE1 . 31098 1 689 . 1 . 1 74 74 PHE CE2 C 13 130.3135646 0.2 . 3 . . . . A 74 PHE CE2 . 31098 1 690 . 1 . 1 74 74 PHE N N 15 116.0040911 0.05 . 1 . . . . A 74 PHE N . 31098 1 691 . 1 . 1 75 75 SER H H 1 9.049645236 0.025 . 1 . . . . A 75 SER H . 31098 1 692 . 1 . 1 75 75 SER HA H 1 4.771305221 0.1 . 1 . . . . A 75 SER HA . 31098 1 693 . 1 . 1 75 75 SER HB2 H 1 3.963451329 0.1 . 1 . . . . A 75 SER HB2 . 31098 1 694 . 1 . 1 75 75 SER HB3 H 1 4.000809279 0.1 . 1 . . . . A 75 SER HB3 . 31098 1 695 . 1 . 1 75 75 SER CA C 13 59.44960433 0.1 . 1 . . . . A 75 SER CA . 31098 1 696 . 1 . 1 75 75 SER CB C 13 64.47195594 0.2 . 1 . . . . A 75 SER CB . 31098 1 697 . 1 . 1 75 75 SER N N 15 115.7117477 0.05 . 1 . . . . A 75 SER N . 31098 1 698 . 1 . 1 76 76 VAL H H 1 7.416921921 0.025 . 1 . . . . A 76 VAL H . 31098 1 699 . 1 . 1 76 76 VAL HA H 1 4.487215712 0.1 . 1 . . . . A 76 VAL HA . 31098 1 700 . 1 . 1 76 76 VAL HB H 1 2.159090951 0.1 . 1 . . . . A 76 VAL HB . 31098 1 701 . 1 . 1 76 76 VAL HG11 H 1 0.9472195438 0.1 . 2 . . . . A 76 VAL HG11 . 31098 1 702 . 1 . 1 76 76 VAL HG12 H 1 0.9472195438 0.1 . 2 . . . . A 76 VAL HG12 . 31098 1 703 . 1 . 1 76 76 VAL HG13 H 1 0.9472195438 0.1 . 2 . . . . A 76 VAL HG13 . 31098 1 704 . 1 . 1 76 76 VAL HG21 H 1 1.030612054 0.1 . 2 . . . . A 76 VAL HG21 . 31098 1 705 . 1 . 1 76 76 VAL HG22 H 1 1.030612054 0.1 . 2 . . . . A 76 VAL HG22 . 31098 1 706 . 1 . 1 76 76 VAL HG23 H 1 1.030612054 0.1 . 2 . . . . A 76 VAL HG23 . 31098 1 707 . 1 . 1 76 76 VAL CA C 13 60.78119483 0.1 . 1 . . . . A 76 VAL CA . 31098 1 708 . 1 . 1 76 76 VAL CB C 13 35.07751625 0.2 . 1 . . . . A 76 VAL CB . 31098 1 709 . 1 . 1 76 76 VAL CG1 C 13 20.76563511 0.2 . 1 . . . . A 76 VAL CG1 . 31098 1 710 . 1 . 1 76 76 VAL CG2 C 13 22.09361609 0.2 . 1 . . . . A 76 VAL CG2 . 31098 1 711 . 1 . 1 76 76 VAL N N 15 118.1651769 0.05 . 1 . . . . A 76 VAL N . 31098 1 712 . 1 . 1 77 77 TYR H H 1 8.879613308 0.025 . 1 . . . . A 77 TYR H . 31098 1 713 . 1 . 1 77 77 TYR HA H 1 3.182488987 0.1 . 1 . . . . A 77 TYR HA . 31098 1 714 . 1 . 1 77 77 TYR HB2 H 1 2.368347829 0.1 . 1 . . . . A 77 TYR HB2 . 31098 1 715 . 1 . 1 77 77 TYR HB3 H 1 2.628842034 0.1 . 1 . . . . A 77 TYR HB3 . 31098 1 716 . 1 . 1 77 77 TYR HD1 H 1 6.541696265 0.1 . 3 . . . . A 77 TYR HD1 . 31098 1 717 . 1 . 1 77 77 TYR HD2 H 1 6.541696265 0.1 . 3 . . . . A 77 TYR HD2 . 31098 1 718 . 1 . 1 77 77 TYR HE1 H 1 6.63597371 0.1 . 3 . . . . A 77 TYR HE1 . 31098 1 719 . 1 . 1 77 77 TYR HE2 H 1 6.63597371 0.1 . 3 . . . . A 77 TYR HE2 . 31098 1 720 . 1 . 1 77 77 TYR CA C 13 62.46255292 0.1 . 1 . . . . A 77 TYR CA . 31098 1 721 . 1 . 1 77 77 TYR CB C 13 37.5294031 0.2 . 1 . . . . A 77 TYR CB . 31098 1 722 . 1 . 1 77 77 TYR CD1 C 13 132.7002896 0.2 . 3 . . . . A 77 TYR CD1 . 31098 1 723 . 1 . 1 77 77 TYR CD2 C 13 132.7002896 0.2 . 3 . . . . A 77 TYR CD2 . 31098 1 724 . 1 . 1 77 77 TYR CE1 C 13 117.9576211 0.2 . 3 . . . . A 77 TYR CE1 . 31098 1 725 . 1 . 1 77 77 TYR CE2 C 13 117.9576211 0.2 . 3 . . . . A 77 TYR CE2 . 31098 1 726 . 1 . 1 77 77 TYR N N 15 128.6044357 0.05 . 1 . . . . A 77 TYR N . 31098 1 727 . 1 . 1 78 78 SER H H 1 8.520503283 0.025 . 1 . . . . A 78 SER H . 31098 1 728 . 1 . 1 78 78 SER HA H 1 4.056683881 0.1 . 1 . . . . A 78 SER HA . 31098 1 729 . 1 . 1 78 78 SER HB2 H 1 3.838532193 0.1 . 1 . . . . A 78 SER HB2 . 31098 1 730 . 1 . 1 78 78 SER CA C 13 61.03155359 0.1 . 1 . . . . A 78 SER CA . 31098 1 731 . 1 . 1 78 78 SER CB C 13 62.18478383 0.2 . 1 . . . . A 78 SER CB . 31098 1 732 . 1 . 1 78 78 SER N N 15 112.7382794 0.05 . 1 . . . . A 78 SER N . 31098 1 733 . 1 . 1 79 79 THR H H 1 7.096566464 0.025 . 1 . . . . A 79 THR H . 31098 1 734 . 1 . 1 79 79 THR HA H 1 3.816495739 0.1 . 1 . . . . A 79 THR HA . 31098 1 735 . 1 . 1 79 79 THR HG21 H 1 1.337570036 0.1 . 1 . . . . A 79 THR HG21 . 31098 1 736 . 1 . 1 79 79 THR HG22 H 1 1.337570036 0.1 . 1 . . . . A 79 THR HG22 . 31098 1 737 . 1 . 1 79 79 THR HG23 H 1 1.337570036 0.1 . 1 . . . . A 79 THR HG23 . 31098 1 738 . 1 . 1 79 79 THR CA C 13 65.40163764 0.1 . 1 . . . . A 79 THR CA . 31098 1 739 . 1 . 1 79 79 THR CB C 13 67.96257679 0.2 . 1 . . . . A 79 THR CB . 31098 1 740 . 1 . 1 79 79 THR CG2 C 13 24.16963874 0.2 . 1 . . . . A 79 THR CG2 . 31098 1 741 . 1 . 1 79 79 THR N N 15 117.4361978 0.05 . 1 . . . . A 79 THR N . 31098 1 742 . 1 . 1 80 80 LEU H H 1 6.810319447 0.025 . 1 . . . . A 80 LEU H . 31098 1 743 . 1 . 1 80 80 LEU HA H 1 2.780777695 0.1 . 1 . . . . A 80 LEU HA . 31098 1 744 . 1 . 1 80 80 LEU HB2 H 1 0.8136856828 0.1 . 1 . . . . A 80 LEU HB2 . 31098 1 745 . 1 . 1 80 80 LEU HB3 H 1 1.613421066 0.1 . 1 . . . . A 80 LEU HB3 . 31098 1 746 . 1 . 1 80 80 LEU HG H 1 1.532501648 0.1 . 1 . . . . A 80 LEU HG . 31098 1 747 . 1 . 1 80 80 LEU HD11 H 1 0.77488664 0.1 . 2 . . . . A 80 LEU HD11 . 31098 1 748 . 1 . 1 80 80 LEU HD12 H 1 0.77488664 0.1 . 2 . . . . A 80 LEU HD12 . 31098 1 749 . 1 . 1 80 80 LEU HD13 H 1 0.77488664 0.1 . 2 . . . . A 80 LEU HD13 . 31098 1 750 . 1 . 1 80 80 LEU CA C 13 57.68589131 0.1 . 1 . . . . A 80 LEU CA . 31098 1 751 . 1 . 1 80 80 LEU CB C 13 39.43933347 0.2 . 1 . . . . A 80 LEU CB . 31098 1 752 . 1 . 1 80 80 LEU CG C 13 26.13375417 0.2 . 1 . . . . A 80 LEU CG . 31098 1 753 . 1 . 1 80 80 LEU CD1 C 13 23.20492203 0.2 . 1 . . . . A 80 LEU CD1 . 31098 1 754 . 1 . 1 80 80 LEU N N 15 126.0843159 0.05 . 1 . . . . A 80 LEU N . 31098 1 755 . 1 . 1 81 81 GLU H H 1 8.038626127 0.025 . 1 . . . . A 81 GLU H . 31098 1 756 . 1 . 1 81 81 GLU HA H 1 3.598879157 0.1 . 1 . . . . A 81 GLU HA . 31098 1 757 . 1 . 1 81 81 GLU HB2 H 1 1.782795277 0.1 . 1 . . . . A 81 GLU HB2 . 31098 1 758 . 1 . 1 81 81 GLU HB3 H 1 2.019967195 0.1 . 1 . . . . A 81 GLU HB3 . 31098 1 759 . 1 . 1 81 81 GLU HG2 H 1 1.796707289 0.1 . 1 . . . . A 81 GLU HG2 . 31098 1 760 . 1 . 1 81 81 GLU HG3 H 1 1.9672176 0.1 . 1 . . . . A 81 GLU HG3 . 31098 1 761 . 1 . 1 81 81 GLU CA C 13 60.26303638 0.1 . 1 . . . . A 81 GLU CA . 31098 1 762 . 1 . 1 81 81 GLU CB C 13 29.5825636 0.2 . 1 . . . . A 81 GLU CB . 31098 1 763 . 1 . 1 81 81 GLU CG C 13 37.0245572 0.2 . 1 . . . . A 81 GLU CG . 31098 1 764 . 1 . 1 81 81 GLU N N 15 119.9058598 0.05 . 1 . . . . A 81 GLU N . 31098 1 765 . 1 . 1 82 82 LYS H H 1 7.513949129 0.025 . 1 . . . . A 82 LYS H . 31098 1 766 . 1 . 1 82 82 LYS HA H 1 3.82666488 0.1 . 1 . . . . A 82 LYS HA . 31098 1 767 . 1 . 1 82 82 LYS HB2 H 1 1.79129924 0.1 . 1 . . . . A 82 LYS HB2 . 31098 1 768 . 1 . 1 82 82 LYS HG2 H 1 1.379740574 0.1 . 1 . . . . A 82 LYS HG2 . 31098 1 769 . 1 . 1 82 82 LYS HG3 H 1 1.565027667 0.1 . 1 . . . . A 82 LYS HG3 . 31098 1 770 . 1 . 1 82 82 LYS HD2 H 1 1.564119364 0.1 . 1 . . . . A 82 LYS HD2 . 31098 1 771 . 1 . 1 82 82 LYS HD3 H 1 1.649292275 0.1 . 1 . . . . A 82 LYS HD3 . 31098 1 772 . 1 . 1 82 82 LYS HE2 H 1 2.881247817 0.1 . 1 . . . . A 82 LYS HE2 . 31098 1 773 . 1 . 1 82 82 LYS CA C 13 59.64424521 0.1 . 1 . . . . A 82 LYS CA . 31098 1 774 . 1 . 1 82 82 LYS CB C 13 32.4898831 0.2 . 1 . . . . A 82 LYS CB . 31098 1 775 . 1 . 1 82 82 LYS CG C 13 25.4737459 0.2 . 1 . . . . A 82 LYS CG . 31098 1 776 . 1 . 1 82 82 LYS CD C 13 29.43220484 0.2 . 1 . . . . A 82 LYS CD . 31098 1 777 . 1 . 1 82 82 LYS CE C 13 42.16379607 0.2 . 1 . . . . A 82 LYS CE . 31098 1 778 . 1 . 1 82 82 LYS N N 15 118.27902 0.05 . 1 . . . . A 82 LYS N . 31098 1 779 . 1 . 1 83 83 HIS H H 1 7.747031659 0.025 . 1 . . . . A 83 HIS H . 31098 1 780 . 1 . 1 83 83 HIS HA H 1 4.397084118 0.1 . 1 . . . . A 83 HIS HA . 31098 1 781 . 1 . 1 83 83 HIS HB2 H 1 2.979750043 0.1 . 1 . . . . A 83 HIS HB2 . 31098 1 782 . 1 . 1 83 83 HIS HB3 H 1 3.381623959 0.1 . 1 . . . . A 83 HIS HB3 . 31098 1 783 . 1 . 1 83 83 HIS HD2 H 1 7.181372598 0.1 . 1 . . . . A 83 HIS HD2 . 31098 1 784 . 1 . 1 83 83 HIS CA C 13 59.93597055 0.1 . 1 . . . . A 83 HIS CA . 31098 1 785 . 1 . 1 83 83 HIS CB C 13 28.11090895 0.2 . 1 . . . . A 83 HIS CB . 31098 1 786 . 1 . 1 83 83 HIS CD2 C 13 127.5209163 0.2 . 1 . . . . A 83 HIS CD2 . 31098 1 787 . 1 . 1 83 83 HIS N N 15 120.6248362 0.05 . 1 . . . . A 83 HIS N . 31098 1 788 . 1 . 1 84 84 MET H H 1 8.634905958 0.025 . 1 . . . . A 84 MET H . 31098 1 789 . 1 . 1 84 84 MET HA H 1 4.078849283 0.1 . 1 . . . . A 84 MET HA . 31098 1 790 . 1 . 1 84 84 MET HB2 H 1 2.815062364 0.1 . 1 . . . . A 84 MET HB2 . 31098 1 791 . 1 . 1 84 84 MET HG2 H 1 2.122798793 0.1 . 1 . . . . A 84 MET HG2 . 31098 1 792 . 1 . 1 84 84 MET HG3 H 1 2.243415894 0.1 . 1 . . . . A 84 MET HG3 . 31098 1 793 . 1 . 1 84 84 MET CA C 13 57.94104582 0.1 . 1 . . . . A 84 MET CA . 31098 1 794 . 1 . 1 84 84 MET CB C 13 31.42591598 0.2 . 1 . . . . A 84 MET CB . 31098 1 795 . 1 . 1 84 84 MET CG C 13 30.43326803 0.2 . 1 . . . . A 84 MET CG . 31098 1 796 . 1 . 1 84 84 MET N N 15 117.9405773 0.05 . 1 . . . . A 84 MET N . 31098 1 797 . 1 . 1 85 85 LYS H H 1 7.50428153 0.025 . 1 . . . . A 85 LYS H . 31098 1 798 . 1 . 1 85 85 LYS HA H 1 3.844724089 0.1 . 1 . . . . A 85 LYS HA . 31098 1 799 . 1 . 1 85 85 LYS HB2 H 1 1.734012384 0.1 . 1 . . . . A 85 LYS HB2 . 31098 1 800 . 1 . 1 85 85 LYS HG2 H 1 1.341313082 0.1 . 1 . . . . A 85 LYS HG2 . 31098 1 801 . 1 . 1 85 85 LYS HG3 H 1 1.463342475 0.1 . 1 . . . . A 85 LYS HG3 . 31098 1 802 . 1 . 1 85 85 LYS HD2 H 1 1.553648638 0.1 . 1 . . . . A 85 LYS HD2 . 31098 1 803 . 1 . 1 85 85 LYS HE2 H 1 2.856511854 0.1 . 1 . . . . A 85 LYS HE2 . 31098 1 804 . 1 . 1 85 85 LYS CA C 13 58.5849613 0.1 . 1 . . . . A 85 LYS CA . 31098 1 805 . 1 . 1 85 85 LYS CB C 13 32.63421614 0.2 . 1 . . . . A 85 LYS CB . 31098 1 806 . 1 . 1 85 85 LYS CG C 13 25.30657028 0.2 . 1 . . . . A 85 LYS CG . 31098 1 807 . 1 . 1 85 85 LYS CD C 13 29.00441313 0.2 . 1 . . . . A 85 LYS CD . 31098 1 808 . 1 . 1 85 85 LYS CE C 13 42.12644677 0.2 . 1 . . . . A 85 LYS CE . 31098 1 809 . 1 . 1 85 85 LYS N N 15 117.2479842 0.05 . 1 . . . . A 85 LYS N . 31098 1 810 . 1 . 1 86 86 LYS H H 1 7.627800619 0.025 . 1 . . . . A 86 LYS H . 31098 1 811 . 1 . 1 86 86 LYS HA H 1 3.852966338 0.1 . 1 . . . . A 86 LYS HA . 31098 1 812 . 1 . 1 86 86 LYS HB2 H 1 1.388508135 0.1 . 1 . . . . A 86 LYS HB2 . 31098 1 813 . 1 . 1 86 86 LYS HB3 H 1 1.568771896 0.1 . 1 . . . . A 86 LYS HB3 . 31098 1 814 . 1 . 1 86 86 LYS HG2 H 1 0.2688360056 0.1 . 1 . . . . A 86 LYS HG2 . 31098 1 815 . 1 . 1 86 86 LYS HG3 H 1 0.5234931841 0.1 . 1 . . . . A 86 LYS HG3 . 31098 1 816 . 1 . 1 86 86 LYS HD2 H 1 1.34888631 0.1 . 1 . . . . A 86 LYS HD2 . 31098 1 817 . 1 . 1 86 86 LYS HE2 H 1 2.440515902 0.1 . 1 . . . . A 86 LYS HE2 . 31098 1 818 . 1 . 1 86 86 LYS HE3 H 1 2.579289691 0.1 . 1 . . . . A 86 LYS HE3 . 31098 1 819 . 1 . 1 86 86 LYS CA C 13 58.18745822 0.1 . 1 . . . . A 86 LYS CA . 31098 1 820 . 1 . 1 86 86 LYS CB C 13 33.22421328 0.2 . 1 . . . . A 86 LYS CB . 31098 1 821 . 1 . 1 86 86 LYS CG C 13 24.27280821 0.2 . 1 . . . . A 86 LYS CG . 31098 1 822 . 1 . 1 86 86 LYS CD C 13 28.73909312 0.2 . 1 . . . . A 86 LYS CD . 31098 1 823 . 1 . 1 86 86 LYS CE C 13 42.07542407 0.2 . 1 . . . . A 86 LYS CE . 31098 1 824 . 1 . 1 86 86 LYS N N 15 117.4453377 0.05 . 1 . . . . A 86 LYS N . 31098 1 825 . 1 . 1 87 87 TRP H H 1 8.11678685 0.025 . 1 . . . . A 87 TRP H . 31098 1 826 . 1 . 1 87 87 TRP HA H 1 4.326473129 0.1 . 1 . . . . A 87 TRP HA . 31098 1 827 . 1 . 1 87 87 TRP HB2 H 1 1.637409175 0.1 . 1 . . . . A 87 TRP HB2 . 31098 1 828 . 1 . 1 87 87 TRP HB3 H 1 2.40901829 0.1 . 1 . . . . A 87 TRP HB3 . 31098 1 829 . 1 . 1 87 87 TRP HD1 H 1 6.890181787 0.1 . 1 . . . . A 87 TRP HD1 . 31098 1 830 . 1 . 1 87 87 TRP CA C 13 57.71682321 0.1 . 1 . . . . A 87 TRP CA . 31098 1 831 . 1 . 1 87 87 TRP CB C 13 29.30573921 0.2 . 1 . . . . A 87 TRP CB . 31098 1 832 . 1 . 1 87 87 TRP CD1 C 13 127.3666938 0.2 . 1 . . . . A 87 TRP CD1 . 31098 1 833 . 1 . 1 87 87 TRP N N 15 114.9234956 0.05 . 1 . . . . A 87 TRP N . 31098 1 834 . 1 . 1 88 88 HIS H H 1 7.570033538 0.025 . 1 . . . . A 88 HIS H . 31098 1 835 . 1 . 1 88 88 HIS HA H 1 5.41354102 0.1 . 1 . . . . A 88 HIS HA . 31098 1 836 . 1 . 1 88 88 HIS HB2 H 1 3.235914049 0.1 . 1 . . . . A 88 HIS HB2 . 31098 1 837 . 1 . 1 88 88 HIS HD2 H 1 7.102261355 0.1 . 1 . . . . A 88 HIS HD2 . 31098 1 838 . 1 . 1 88 88 HIS CA C 13 52.69589251 0.1 . 1 . . . . A 88 HIS CA . 31098 1 839 . 1 . 1 88 88 HIS CB C 13 29.16982862 0.2 . 1 . . . . A 88 HIS CB . 31098 1 840 . 1 . 1 88 88 HIS CD2 C 13 129.5972025 0.2 . 1 . . . . A 88 HIS CD2 . 31098 1 841 . 1 . 1 88 88 HIS N N 15 116.4891713 0.05 . 1 . . . . A 88 HIS N . 31098 1 842 . 1 . 1 89 89 SER H H 1 8.140471216 0.025 . 1 . . . . A 89 SER H . 31098 1 843 . 1 . 1 89 89 SER HA H 1 4.256525176 0.1 . 1 . . . . A 89 SER HA . 31098 1 844 . 1 . 1 89 89 SER HB2 H 1 3.922769103 0.1 . 1 . . . . A 89 SER HB2 . 31098 1 845 . 1 . 1 89 89 SER CA C 13 60.23562051 0.1 . 1 . . . . A 89 SER CA . 31098 1 846 . 1 . 1 89 89 SER CB C 13 63.47829448 0.2 . 1 . . . . A 89 SER CB . 31098 1 847 . 1 . 1 89 89 SER N N 15 115.8735213 0.05 . 1 . . . . A 89 SER N . 31098 1 848 . 1 . 1 90 90 ASP H H 1 8.628050331 0.025 . 1 . . . . A 90 ASP H . 31098 1 849 . 1 . 1 90 90 ASP HA H 1 4.467935827 0.1 . 1 . . . . A 90 ASP HA . 31098 1 850 . 1 . 1 90 90 ASP HB2 H 1 2.63149828 0.1 . 1 . . . . A 90 ASP HB2 . 31098 1 851 . 1 . 1 90 90 ASP CA C 13 54.41892825 0.1 . 1 . . . . A 90 ASP CA . 31098 1 852 . 1 . 1 90 90 ASP CB C 13 40.29041843 0.2 . 1 . . . . A 90 ASP CB . 31098 1 853 . 1 . 1 90 90 ASP N N 15 120.2699247 0.05 . 1 . . . . A 90 ASP N . 31098 1 854 . 1 . 1 91 91 ARG H H 1 7.939360013 0.025 . 1 . . . . A 91 ARG H . 31098 1 855 . 1 . 1 91 91 ARG HA H 1 4.309277411 0.1 . 1 . . . . A 91 ARG HA . 31098 1 856 . 1 . 1 91 91 ARG HB2 H 1 1.72347363 0.1 . 1 . . . . A 91 ARG HB2 . 31098 1 857 . 1 . 1 91 91 ARG HB3 H 1 1.818154845 0.1 . 1 . . . . A 91 ARG HB3 . 31098 1 858 . 1 . 1 91 91 ARG HG2 H 1 1.544734063 0.1 . 1 . . . . A 91 ARG HG2 . 31098 1 859 . 1 . 1 91 91 ARG HD2 H 1 3.098420034 0.1 . 1 . . . . A 91 ARG HD2 . 31098 1 860 . 1 . 1 91 91 ARG CA C 13 55.44571838 0.1 . 1 . . . . A 91 ARG CA . 31098 1 861 . 1 . 1 91 91 ARG CB C 13 30.57141701 0.2 . 1 . . . . A 91 ARG CB . 31098 1 862 . 1 . 1 91 91 ARG CG C 13 26.75809468 0.2 . 1 . . . . A 91 ARG CG . 31098 1 863 . 1 . 1 91 91 ARG CD C 13 42.91243328 0.2 . 1 . . . . A 91 ARG CD . 31098 1 864 . 1 . 1 91 91 ARG N N 15 119.9263362 0.05 . 1 . . . . A 91 ARG N . 31098 1 865 . 1 . 1 92 92 VAL H H 1 7.968946729 0.025 . 1 . . . . A 92 VAL H . 31098 1 866 . 1 . 1 92 92 VAL HA H 1 4.000371667 0.1 . 1 . . . . A 92 VAL HA . 31098 1 867 . 1 . 1 92 92 VAL HB H 1 1.992194633 0.1 . 1 . . . . A 92 VAL HB . 31098 1 868 . 1 . 1 92 92 VAL HG11 H 1 0.8444833028 0.1 . 2 . . . . A 92 VAL HG11 . 31098 1 869 . 1 . 1 92 92 VAL HG12 H 1 0.8444833028 0.1 . 2 . . . . A 92 VAL HG12 . 31098 1 870 . 1 . 1 92 92 VAL HG13 H 1 0.8444833028 0.1 . 2 . . . . A 92 VAL HG13 . 31098 1 871 . 1 . 1 92 92 VAL HG21 H 1 0.8591152636 0.1 . 2 . . . . A 92 VAL HG21 . 31098 1 872 . 1 . 1 92 92 VAL HG22 H 1 0.8591152636 0.1 . 2 . . . . A 92 VAL HG22 . 31098 1 873 . 1 . 1 92 92 VAL HG23 H 1 0.8591152636 0.1 . 2 . . . . A 92 VAL HG23 . 31098 1 874 . 1 . 1 92 92 VAL CA C 13 62.46566485 0.1 . 1 . . . . A 92 VAL CA . 31098 1 875 . 1 . 1 92 92 VAL CB C 13 32.52610177 0.2 . 1 . . . . A 92 VAL CB . 31098 1 876 . 1 . 1 92 92 VAL CG1 C 13 21.16799201 0.2 . 1 . . . . A 92 VAL CG1 . 31098 1 877 . 1 . 1 92 92 VAL CG2 C 13 20.75736549 0.2 . 1 . . . . A 92 VAL CG2 . 31098 1 878 . 1 . 1 92 92 VAL N N 15 120.8898203 0.05 . 1 . . . . A 92 VAL N . 31098 1 879 . 1 . 1 93 93 LEU H H 1 8.317162375 0.025 . 1 . . . . A 93 LEU H . 31098 1 880 . 1 . 1 93 93 LEU HA H 1 4.292941783 0.1 . 1 . . . . A 93 LEU HA . 31098 1 881 . 1 . 1 93 93 LEU HB2 H 1 1.492746819 0.1 . 1 . . . . A 93 LEU HB2 . 31098 1 882 . 1 . 1 93 93 LEU HB3 H 1 1.570238301 0.1 . 1 . . . . A 93 LEU HB3 . 31098 1 883 . 1 . 1 93 93 LEU HG H 1 1.531591654 0.1 . 1 . . . . A 93 LEU HG . 31098 1 884 . 1 . 1 93 93 LEU HD11 H 1 0.7778476533 0.1 . 2 . . . . A 93 LEU HD11 . 31098 1 885 . 1 . 1 93 93 LEU HD12 H 1 0.7778476533 0.1 . 2 . . . . A 93 LEU HD12 . 31098 1 886 . 1 . 1 93 93 LEU HD13 H 1 0.7778476533 0.1 . 2 . . . . A 93 LEU HD13 . 31098 1 887 . 1 . 1 93 93 LEU HD21 H 1 0.8431266725 0.1 . 2 . . . . A 93 LEU HD21 . 31098 1 888 . 1 . 1 93 93 LEU HD22 H 1 0.8431266725 0.1 . 2 . . . . A 93 LEU HD22 . 31098 1 889 . 1 . 1 93 93 LEU HD23 H 1 0.8431266725 0.1 . 2 . . . . A 93 LEU HD23 . 31098 1 890 . 1 . 1 93 93 LEU CA C 13 54.98985197 0.1 . 1 . . . . A 93 LEU CA . 31098 1 891 . 1 . 1 93 93 LEU CB C 13 42.31719926 0.2 . 1 . . . . A 93 LEU CB . 31098 1 892 . 1 . 1 93 93 LEU CG C 13 26.97929891 0.2 . 1 . . . . A 93 LEU CG . 31098 1 893 . 1 . 1 93 93 LEU CD1 C 13 23.47983146 0.2 . 1 . . . . A 93 LEU CD1 . 31098 1 894 . 1 . 1 93 93 LEU CD2 C 13 24.90896146 0.2 . 1 . . . . A 93 LEU CD2 . 31098 1 895 . 1 . 1 93 93 LEU N N 15 126.0267603 0.05 . 1 . . . . A 93 LEU N . 31098 1 896 . 1 . 1 94 94 ASN H H 1 8.370928546 0.025 . 1 . . . . A 94 ASN H . 31098 1 897 . 1 . 1 94 94 ASN HA H 1 4.608650771 0.1 . 1 . . . . A 94 ASN HA . 31098 1 898 . 1 . 1 94 94 ASN HB2 H 1 2.683712947 0.1 . 1 . . . . A 94 ASN HB2 . 31098 1 899 . 1 . 1 94 94 ASN HB3 H 1 2.773816557 0.1 . 1 . . . . A 94 ASN HB3 . 31098 1 900 . 1 . 1 94 94 ASN CA C 13 53.19680992 0.1 . 1 . . . . A 94 ASN CA . 31098 1 901 . 1 . 1 94 94 ASN CB C 13 38.93857078 0.2 . 1 . . . . A 94 ASN CB . 31098 1 902 . 1 . 1 94 94 ASN N N 15 119.5490576 0.05 . 1 . . . . A 94 ASN N . 31098 1 903 . 1 . 1 95 95 ASN H H 1 8.389150103 0.025 . 1 . . . . A 95 ASN H . 31098 1 904 . 1 . 1 95 95 ASN HA H 1 4.630430827 0.1 . 1 . . . . A 95 ASN HA . 31098 1 905 . 1 . 1 95 95 ASN HB2 H 1 2.649991535 0.1 . 1 . . . . A 95 ASN HB2 . 31098 1 906 . 1 . 1 95 95 ASN HB3 H 1 2.742253316 0.1 . 1 . . . . A 95 ASN HB3 . 31098 1 907 . 1 . 1 95 95 ASN CA C 13 53.32957826 0.1 . 1 . . . . A 95 ASN CA . 31098 1 908 . 1 . 1 95 95 ASN CB C 13 38.95071049 0.2 . 1 . . . . A 95 ASN CB . 31098 1 909 . 1 . 1 95 95 ASN N N 15 119.4591207 0.05 . 1 . . . . A 95 ASN N . 31098 1 910 . 1 . 1 96 96 ASP H H 1 8.300971706 0.025 . 1 . . . . A 96 ASP H . 31098 1 911 . 1 . 1 96 96 ASP HA H 1 4.518856181 0.1 . 1 . . . . A 96 ASP HA . 31098 1 912 . 1 . 1 96 96 ASP HB2 H 1 2.521912698 0.1 . 1 . . . . A 96 ASP HB2 . 31098 1 913 . 1 . 1 96 96 ASP HB3 H 1 2.615097365 0.1 . 1 . . . . A 96 ASP HB3 . 31098 1 914 . 1 . 1 96 96 ASP CA C 13 54.46022352 0.1 . 1 . . . . A 96 ASP CA . 31098 1 915 . 1 . 1 96 96 ASP CB C 13 41.02596643 0.2 . 1 . . . . A 96 ASP CB . 31098 1 916 . 1 . 1 96 96 ASP N N 15 120.5090976 0.05 . 1 . . . . A 96 ASP N . 31098 1 917 . 1 . 1 97 97 ILE H H 1 7.908488149 0.025 . 1 . . . . A 97 ILE H . 31098 1 918 . 1 . 1 97 97 ILE HA H 1 4.066049084 0.1 . 1 . . . . A 97 ILE HA . 31098 1 919 . 1 . 1 97 97 ILE HB H 1 1.783381379 0.1 . 1 . . . . A 97 ILE HB . 31098 1 920 . 1 . 1 97 97 ILE HG12 H 1 1.087049231 0.1 . 1 . . . . A 97 ILE HG12 . 31098 1 921 . 1 . 1 97 97 ILE HG13 H 1 1.378358588 0.1 . 1 . . . . A 97 ILE HG13 . 31098 1 922 . 1 . 1 97 97 ILE HG21 H 1 0.8011825776 0.1 . 1 . . . . A 97 ILE HG21 . 31098 1 923 . 1 . 1 97 97 ILE HG22 H 1 0.8011825776 0.1 . 1 . . . . A 97 ILE HG22 . 31098 1 924 . 1 . 1 97 97 ILE HG23 H 1 0.8011825776 0.1 . 1 . . . . A 97 ILE HG23 . 31098 1 925 . 1 . 1 97 97 ILE HD11 H 1 0.7730242839 0.1 . 1 . . . . A 97 ILE HD11 . 31098 1 926 . 1 . 1 97 97 ILE HD12 H 1 0.7730242839 0.1 . 1 . . . . A 97 ILE HD12 . 31098 1 927 . 1 . 1 97 97 ILE HD13 H 1 0.7730242839 0.1 . 1 . . . . A 97 ILE HD13 . 31098 1 928 . 1 . 1 97 97 ILE CA C 13 61.0387576 0.1 . 1 . . . . A 97 ILE CA . 31098 1 929 . 1 . 1 97 97 ILE CB C 13 38.54835096 0.2 . 1 . . . . A 97 ILE CB . 31098 1 930 . 1 . 1 97 97 ILE CG1 C 13 27.19407164 0.2 . 1 . . . . A 97 ILE CG1 . 31098 1 931 . 1 . 1 97 97 ILE CG2 C 13 17.46710735 0.2 . 1 . . . . A 97 ILE CG2 . 31098 1 932 . 1 . 1 97 97 ILE CD1 C 13 12.85757771 0.2 . 1 . . . . A 97 ILE CD1 . 31098 1 933 . 1 . 1 97 97 ILE N N 15 120.6914285 0.05 . 1 . . . . A 97 ILE N . 31098 1 934 . 1 . 1 98 98 LYS H H 1 8.374452486 0.025 . 1 . . . . A 98 LYS H . 31098 1 935 . 1 . 1 98 98 LYS HA H 1 4.383523946 0.1 . 1 . . . . A 98 LYS HA . 31098 1 936 . 1 . 1 98 98 LYS HB2 H 1 1.700117412 0.1 . 1 . . . . A 98 LYS HB2 . 31098 1 937 . 1 . 1 98 98 LYS HB3 H 1 1.78012198 0.1 . 1 . . . . A 98 LYS HB3 . 31098 1 938 . 1 . 1 98 98 LYS HG2 H 1 1.328538988 0.1 . 1 . . . . A 98 LYS HG2 . 31098 1 939 . 1 . 1 98 98 LYS HG3 H 1 1.371136478 0.1 . 1 . . . . A 98 LYS HG3 . 31098 1 940 . 1 . 1 98 98 LYS HD2 H 1 1.606868222 0.1 . 1 . . . . A 98 LYS HD2 . 31098 1 941 . 1 . 1 98 98 LYS HE2 H 1 2.923333135 0.1 . 1 . . . . A 98 LYS HE2 . 31098 1 942 . 1 . 1 98 98 LYS CA C 13 55.94616819 0.1 . 1 . . . . A 98 LYS CA . 31098 1 943 . 1 . 1 98 98 LYS CB C 13 33.13386578 0.2 . 1 . . . . A 98 LYS CB . 31098 1 944 . 1 . 1 98 98 LYS CG C 13 24.58944877 0.2 . 1 . . . . A 98 LYS CG . 31098 1 945 . 1 . 1 98 98 LYS CD C 13 28.92947698 0.2 . 1 . . . . A 98 LYS CD . 31098 1 946 . 1 . 1 98 98 LYS CE C 13 42.1455498 0.2 . 1 . . . . A 98 LYS CE . 31098 1 947 . 1 . 1 98 98 LYS N N 15 126.2401034 0.05 . 1 . . . . A 98 LYS N . 31098 1 948 . 1 . 1 99 99 THR H H 1 8.263021847 0.025 . 1 . . . . A 99 THR H . 31098 1 949 . 1 . 1 99 99 THR HA H 1 4.276054357 0.1 . 1 . . . . A 99 THR HA . 31098 1 950 . 1 . 1 99 99 THR HB H 1 4.181308425 0.1 . 1 . . . . A 99 THR HB . 31098 1 951 . 1 . 1 99 99 THR HG21 H 1 1.113772519 0.1 . 1 . . . . A 99 THR HG21 . 31098 1 952 . 1 . 1 99 99 THR HG22 H 1 1.113772519 0.1 . 1 . . . . A 99 THR HG22 . 31098 1 953 . 1 . 1 99 99 THR HG23 H 1 1.113772519 0.1 . 1 . . . . A 99 THR HG23 . 31098 1 954 . 1 . 1 99 99 THR CA C 13 61.67856984 0.1 . 1 . . . . A 99 THR CA . 31098 1 955 . 1 . 1 99 99 THR CB C 13 69.80798154 0.2 . 1 . . . . A 99 THR CB . 31098 1 956 . 1 . 1 99 99 THR CG2 C 13 21.53871147 0.2 . 1 . . . . A 99 THR CG2 . 31098 1 957 . 1 . 1 99 99 THR N N 15 116.4233427 0.05 . 1 . . . . A 99 THR N . 31098 1 958 . 1 . 1 100 100 GLU H H 1 7.946116932 0.025 . 1 . . . . A 100 GLU H . 31098 1 959 . 1 . 1 100 100 GLU N N 15 127.8591225 0.05 . 1 . . . . A 100 GLU N . 31098 1 stop_ save_