data_11488 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11488 _Entry.Title ; Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-07 _Entry.Accession_date 2012-03-08 _Entry.Last_release_date 2013-03-12 _Entry.Original_release_date 2013-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Naoya Tochio . . . 11488 2 Takashi Umehara . . . 11488 3 Takanori Kigawa . . . 11488 4 Shigeyuki Yokoyama . . . 11488 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11488 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ZFAT . 11488 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11488 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 11488 '15N chemical shifts' 86 11488 '1H chemical shifts' 625 11488 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 . . 2013-03-12 2012-03-07 original author . 11488 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSJ 'BMRB Entry Tracking System' 11488 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11488 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 Naoya Tochio . . . 11488 1 2 Takashi Umehara . . . 11488 1 3 Takanori Kigawa . . . 11488 1 4 Shigeyuki Yokoyama . . . 11488 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11488 _Assembly.ID 1 _Assembly.Name protein _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11488 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 11488 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 11488 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 11488 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 entity_1 1 CYS 12 12 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 12 CYS SG . . 181 . ZN 11488 1 2 coordination single . 1 entity_1 1 CYS 15 15 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 15 CYS SG . . 181 . ZN 11488 1 3 coordination single . 1 entity_1 1 HIS 28 28 NE2 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 28 HIS NE2 . . 181 . ZN 11488 1 4 coordination single . 1 entity_1 1 HIS 32 32 NE2 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 32 HIS NE2 . . 181 . ZN 11488 1 5 coordination single . 1 entity_1 1 CYS 40 40 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 40 CYS SG . . 281 . ZN 11488 1 6 coordination single . 1 entity_1 1 CYS 43 43 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 43 CYS SG . . 281 . ZN 11488 1 7 coordination single . 1 entity_1 1 HIS 56 56 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 56 HIS NE2 . . 281 . ZN 11488 1 8 coordination single . 1 entity_1 1 HIS 60 60 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 60 HIS NE2 . . 281 . ZN 11488 1 9 coordination single . 1 entity_1 1 CYS 67 67 SG . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 67 CYS SG . . 381 . ZN 11488 1 10 coordination single . 1 entity_1 1 CYS 70 70 SG . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 70 CYS SG . . 381 . ZN 11488 1 11 coordination single . 1 entity_1 1 HIS 83 83 NE2 . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 83 HIS NE2 . . 381 . ZN 11488 1 12 coordination single . 1 entity_1 1 HIS 88 88 NE2 . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 88 HIS NE2 . . 381 . ZN 11488 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11488 _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 ; GSSGSSGKIFTCEYCNKVFK FKHSLQAHLRIHTNEKPYKC PQCSYASAIKANLNVHLRKH TGEKFACDYCSFTCLSKGHL KVHIERVHKKIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10522.391 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RSJ . "Solution Structures Of The Dna-binding Domains Of Immune-related Zinc- Finger Protein Zfat" . . . . . 100.00 92 100.00 100.00 9.11e-59 . . . . 11488 1 2 no PDB 2RV6 . "Solution Structures Of The Dna-binding Domains (zf2-zf3-zf4) Of Immune-related Zinc-finger Protein Zfat" . . . . . 100.00 92 100.00 100.00 9.11e-59 . . . . 11488 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 . GLY . 11488 1 2 . SER . 11488 1 3 . SER . 11488 1 4 . GLY . 11488 1 5 . SER . 11488 1 6 . SER . 11488 1 7 . GLY . 11488 1 8 . LYS . 11488 1 9 . ILE . 11488 1 10 . PHE . 11488 1 11 . THR . 11488 1 12 . CYS . 11488 1 13 . GLU . 11488 1 14 . TYR . 11488 1 15 . CYS . 11488 1 16 . ASN . 11488 1 17 . LYS . 11488 1 18 . VAL . 11488 1 19 . PHE . 11488 1 20 . LYS . 11488 1 21 . PHE . 11488 1 22 . LYS . 11488 1 23 . HIS . 11488 1 24 . SER . 11488 1 25 . LEU . 11488 1 26 . GLN . 11488 1 27 . ALA . 11488 1 28 . HIS . 11488 1 29 . LEU . 11488 1 30 . ARG . 11488 1 31 . ILE . 11488 1 32 . HIS . 11488 1 33 . THR . 11488 1 34 . ASN . 11488 1 35 . GLU . 11488 1 36 . LYS . 11488 1 37 . PRO . 11488 1 38 . TYR . 11488 1 39 . LYS . 11488 1 40 . CYS . 11488 1 41 . PRO . 11488 1 42 . GLN . 11488 1 43 . CYS . 11488 1 44 . SER . 11488 1 45 . TYR . 11488 1 46 . ALA . 11488 1 47 . SER . 11488 1 48 . ALA . 11488 1 49 . ILE . 11488 1 50 . LYS . 11488 1 51 . ALA . 11488 1 52 . ASN . 11488 1 53 . LEU . 11488 1 54 . ASN . 11488 1 55 . VAL . 11488 1 56 . HIS . 11488 1 57 . LEU . 11488 1 58 . ARG . 11488 1 59 . LYS . 11488 1 60 . HIS . 11488 1 61 . THR . 11488 1 62 . GLY . 11488 1 63 . GLU . 11488 1 64 . LYS . 11488 1 65 . PHE . 11488 1 66 . ALA . 11488 1 67 . CYS . 11488 1 68 . ASP . 11488 1 69 . TYR . 11488 1 70 . CYS . 11488 1 71 . SER . 11488 1 72 . PHE . 11488 1 73 . THR . 11488 1 74 . CYS . 11488 1 75 . LEU . 11488 1 76 . SER . 11488 1 77 . LYS . 11488 1 78 . GLY . 11488 1 79 . HIS . 11488 1 80 . LEU . 11488 1 81 . LYS . 11488 1 82 . VAL . 11488 1 83 . HIS . 11488 1 84 . ILE . 11488 1 85 . GLU . 11488 1 86 . ARG . 11488 1 87 . VAL . 11488 1 88 . HIS . 11488 1 89 . LYS . 11488 1 90 . LYS . 11488 1 91 . ILE . 11488 1 92 . LYS . 11488 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11488 1 . SER 2 2 11488 1 . SER 3 3 11488 1 . GLY 4 4 11488 1 . SER 5 5 11488 1 . SER 6 6 11488 1 . GLY 7 7 11488 1 . LYS 8 8 11488 1 . ILE 9 9 11488 1 . PHE 10 10 11488 1 . THR 11 11 11488 1 . CYS 12 12 11488 1 . GLU 13 13 11488 1 . TYR 14 14 11488 1 . CYS 15 15 11488 1 . ASN 16 16 11488 1 . LYS 17 17 11488 1 . VAL 18 18 11488 1 . PHE 19 19 11488 1 . LYS 20 20 11488 1 . PHE 21 21 11488 1 . LYS 22 22 11488 1 . HIS 23 23 11488 1 . SER 24 24 11488 1 . LEU 25 25 11488 1 . GLN 26 26 11488 1 . ALA 27 27 11488 1 . HIS 28 28 11488 1 . LEU 29 29 11488 1 . ARG 30 30 11488 1 . ILE 31 31 11488 1 . HIS 32 32 11488 1 . THR 33 33 11488 1 . ASN 34 34 11488 1 . GLU 35 35 11488 1 . LYS 36 36 11488 1 . PRO 37 37 11488 1 . TYR 38 38 11488 1 . LYS 39 39 11488 1 . CYS 40 40 11488 1 . PRO 41 41 11488 1 . GLN 42 42 11488 1 . CYS 43 43 11488 1 . SER 44 44 11488 1 . TYR 45 45 11488 1 . ALA 46 46 11488 1 . SER 47 47 11488 1 . ALA 48 48 11488 1 . ILE 49 49 11488 1 . LYS 50 50 11488 1 . ALA 51 51 11488 1 . ASN 52 52 11488 1 . LEU 53 53 11488 1 . ASN 54 54 11488 1 . VAL 55 55 11488 1 . HIS 56 56 11488 1 . LEU 57 57 11488 1 . ARG 58 58 11488 1 . LYS 59 59 11488 1 . HIS 60 60 11488 1 . THR 61 61 11488 1 . GLY 62 62 11488 1 . GLU 63 63 11488 1 . LYS 64 64 11488 1 . PHE 65 65 11488 1 . ALA 66 66 11488 1 . CYS 67 67 11488 1 . ASP 68 68 11488 1 . TYR 69 69 11488 1 . CYS 70 70 11488 1 . SER 71 71 11488 1 . PHE 72 72 11488 1 . THR 73 73 11488 1 . CYS 74 74 11488 1 . LEU 75 75 11488 1 . SER 76 76 11488 1 . LYS 77 77 11488 1 . GLY 78 78 11488 1 . HIS 79 79 11488 1 . LEU 80 80 11488 1 . LYS 81 81 11488 1 . VAL 82 82 11488 1 . HIS 83 83 11488 1 . ILE 84 84 11488 1 . GLU 85 85 11488 1 . ARG 86 86 11488 1 . VAL 87 87 11488 1 . HIS 88 88 11488 1 . LYS 89 89 11488 1 . LYS 90 90 11488 1 . ILE 91 91 11488 1 . LYS 92 92 11488 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 11488 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _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 11488 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 11488 2 ZN 'Three letter code' 11488 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 11488 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11488 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 11488 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _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 . . . . . . . . . . . . . . . . . . . . . 11488 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 11488 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P061010-07 . . . . . . 11488 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 11488 _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 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _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.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 11488 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11488 ZN [Zn++] SMILES CACTVS 3.341 11488 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11488 ZN [Zn+2] SMILES ACDLabs 10.04 11488 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11488 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11488 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 11488 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11488 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11488 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11488 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 protein '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.59 . . mM . . . . 11488 1 2 TRIS [U-2H] . . . . . . 20 . . mM . . . . 11488 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11488 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11488 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11488 1 6 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 11488 1 7 H2O . . . . . . solvent 90 . . % . . . . 11488 1 8 D2O . . . . . . solvent 10 . . % . . . . 11488 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 11488 _Sample_condition_list.ID 1 _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' 120 . mM 11488 1 pH 7.0 . pH 11488 1 pressure 1 . atm 11488 1 temperature 296 . K 11488 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11488 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11488 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11488 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11488 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11488 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11488 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11488 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11488 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11488 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11488 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11488 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11488 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11488 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11488 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11488 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11488 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11488 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 800 . . . 11488 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 11488 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11488 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11488 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11488 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.792 internal indirect 0.251449530 . . . . . . . . . 11488 1 H 1 water protons . . . . ppm 4.792 internal direct 1 . . . . . . . . . 11488 1 N 15 water protons . . . . ppm 4.792 internal indirect 0.101329118 . . . . . . . . . 11488 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11488 1 2 '3D 1H-13C NOESY' . . . 11488 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 7 7 GLY HA2 H 1 3.913 0.030 . 1 . . . A 7 GLY HA2 . 11488 1 2 . 1 1 7 7 GLY HA3 H 1 3.913 0.030 . 1 . . . A 7 GLY HA3 . 11488 1 3 . 1 1 7 7 GLY C C 13 173.717 0.300 . 1 . . . A 7 GLY C . 11488 1 4 . 1 1 7 7 GLY CA C 13 45.273 0.300 . 1 . . . A 7 GLY CA . 11488 1 5 . 1 1 8 8 LYS H H 1 8.052 0.030 . 1 . . . A 8 LYS H . 11488 1 6 . 1 1 8 8 LYS HA H 1 4.215 0.030 . 1 . . . A 8 LYS HA . 11488 1 7 . 1 1 8 8 LYS HB2 H 1 1.594 0.030 . 1 . . . A 8 LYS HB2 . 11488 1 8 . 1 1 8 8 LYS HB3 H 1 1.594 0.030 . 1 . . . A 8 LYS HB3 . 11488 1 9 . 1 1 8 8 LYS HG2 H 1 1.246 0.030 . 2 . . . A 8 LYS HG2 . 11488 1 10 . 1 1 8 8 LYS HG3 H 1 1.175 0.030 . 2 . . . A 8 LYS HG3 . 11488 1 11 . 1 1 8 8 LYS HD2 H 1 1.585 0.030 . 1 . . . A 8 LYS HD2 . 11488 1 12 . 1 1 8 8 LYS HD3 H 1 1.585 0.030 . 1 . . . A 8 LYS HD3 . 11488 1 13 . 1 1 8 8 LYS HE2 H 1 2.911 0.030 . 1 . . . A 8 LYS HE2 . 11488 1 14 . 1 1 8 8 LYS HE3 H 1 2.911 0.030 . 1 . . . A 8 LYS HE3 . 11488 1 15 . 1 1 8 8 LYS C C 13 175.267 0.300 . 1 . . . A 8 LYS C . 11488 1 16 . 1 1 8 8 LYS CA C 13 56.012 0.300 . 1 . . . A 8 LYS CA . 11488 1 17 . 1 1 8 8 LYS CB C 13 33.208 0.300 . 1 . . . A 8 LYS CB . 11488 1 18 . 1 1 8 8 LYS CG C 13 24.666 0.300 . 1 . . . A 8 LYS CG . 11488 1 19 . 1 1 8 8 LYS CD C 13 29.033 0.300 . 1 . . . A 8 LYS CD . 11488 1 20 . 1 1 8 8 LYS CE C 13 42.215 0.300 . 1 . . . A 8 LYS CE . 11488 1 21 . 1 1 8 8 LYS N N 15 121.108 0.300 . 1 . . . A 8 LYS N . 11488 1 22 . 1 1 9 9 ILE H H 1 7.554 0.030 . 1 . . . A 9 ILE H . 11488 1 23 . 1 1 9 9 ILE HA H 1 4.295 0.030 . 1 . . . A 9 ILE HA . 11488 1 24 . 1 1 9 9 ILE HB H 1 1.653 0.030 . 1 . . . A 9 ILE HB . 11488 1 25 . 1 1 9 9 ILE HG12 H 1 1.196 0.030 . 2 . . . A 9 ILE HG12 . 11488 1 26 . 1 1 9 9 ILE HG13 H 1 0.960 0.030 . 2 . . . A 9 ILE HG13 . 11488 1 27 . 1 1 9 9 ILE HG21 H 1 0.699 0.030 . 1 . . . A 9 ILE HG21 . 11488 1 28 . 1 1 9 9 ILE HG22 H 1 0.699 0.030 . 1 . . . A 9 ILE HG22 . 11488 1 29 . 1 1 9 9 ILE HG23 H 1 0.699 0.030 . 1 . . . A 9 ILE HG23 . 11488 1 30 . 1 1 9 9 ILE HD11 H 1 0.690 0.030 . 1 . . . A 9 ILE HD11 . 11488 1 31 . 1 1 9 9 ILE HD12 H 1 0.690 0.030 . 1 . . . A 9 ILE HD12 . 11488 1 32 . 1 1 9 9 ILE HD13 H 1 0.690 0.030 . 1 . . . A 9 ILE HD13 . 11488 1 33 . 1 1 9 9 ILE C C 13 174.866 0.300 . 1 . . . A 9 ILE C . 11488 1 34 . 1 1 9 9 ILE CA C 13 59.681 0.300 . 1 . . . A 9 ILE CA . 11488 1 35 . 1 1 9 9 ILE CB C 13 40.512 0.300 . 1 . . . A 9 ILE CB . 11488 1 36 . 1 1 9 9 ILE CG1 C 13 26.547 0.300 . 1 . . . A 9 ILE CG1 . 11488 1 37 . 1 1 9 9 ILE CG2 C 13 18.216 0.300 . 1 . . . A 9 ILE CG2 . 11488 1 38 . 1 1 9 9 ILE CD1 C 13 13.155 0.300 . 1 . . . A 9 ILE CD1 . 11488 1 39 . 1 1 9 9 ILE N N 15 118.302 0.300 . 1 . . . A 9 ILE N . 11488 1 40 . 1 1 10 10 PHE H H 1 8.487 0.030 . 1 . . . A 10 PHE H . 11488 1 41 . 1 1 10 10 PHE HA H 1 4.716 0.030 . 1 . . . A 10 PHE HA . 11488 1 42 . 1 1 10 10 PHE HB2 H 1 3.084 0.030 . 2 . . . A 10 PHE HB2 . 11488 1 43 . 1 1 10 10 PHE HB3 H 1 2.805 0.030 . 2 . . . A 10 PHE HB3 . 11488 1 44 . 1 1 10 10 PHE HD1 H 1 7.061 0.030 . 1 . . . A 10 PHE HD1 . 11488 1 45 . 1 1 10 10 PHE HD2 H 1 7.061 0.030 . 1 . . . A 10 PHE HD2 . 11488 1 46 . 1 1 10 10 PHE HE1 H 1 7.325 0.030 . 1 . . . A 10 PHE HE1 . 11488 1 47 . 1 1 10 10 PHE HE2 H 1 7.325 0.030 . 1 . . . A 10 PHE HE2 . 11488 1 48 . 1 1 10 10 PHE HZ H 1 7.335 0.030 . 1 . . . A 10 PHE HZ . 11488 1 49 . 1 1 10 10 PHE C C 13 174.690 0.300 . 1 . . . A 10 PHE C . 11488 1 50 . 1 1 10 10 PHE CA C 13 57.203 0.300 . 1 . . . A 10 PHE CA . 11488 1 51 . 1 1 10 10 PHE CB C 13 40.619 0.300 . 1 . . . A 10 PHE CB . 11488 1 52 . 1 1 10 10 PHE CD1 C 13 131.858 0.300 . 1 . . . A 10 PHE CD1 . 11488 1 53 . 1 1 10 10 PHE CD2 C 13 131.858 0.300 . 1 . . . A 10 PHE CD2 . 11488 1 54 . 1 1 10 10 PHE CE1 C 13 131.453 0.300 . 1 . . . A 10 PHE CE1 . 11488 1 55 . 1 1 10 10 PHE CE2 C 13 131.453 0.300 . 1 . . . A 10 PHE CE2 . 11488 1 56 . 1 1 10 10 PHE CZ C 13 129.882 0.300 . 1 . . . A 10 PHE CZ . 11488 1 57 . 1 1 10 10 PHE N N 15 123.504 0.300 . 1 . . . A 10 PHE N . 11488 1 58 . 1 1 11 11 THR H H 1 8.565 0.030 . 1 . . . A 11 THR H . 11488 1 59 . 1 1 11 11 THR HA H 1 5.016 0.030 . 1 . . . A 11 THR HA . 11488 1 60 . 1 1 11 11 THR HB H 1 3.860 0.030 . 1 . . . A 11 THR HB . 11488 1 61 . 1 1 11 11 THR HG21 H 1 1.021 0.030 . 1 . . . A 11 THR HG21 . 11488 1 62 . 1 1 11 11 THR HG22 H 1 1.021 0.030 . 1 . . . A 11 THR HG22 . 11488 1 63 . 1 1 11 11 THR HG23 H 1 1.021 0.030 . 1 . . . A 11 THR HG23 . 11488 1 64 . 1 1 11 11 THR C C 13 173.748 0.300 . 1 . . . A 11 THR C . 11488 1 65 . 1 1 11 11 THR CA C 13 61.441 0.300 . 1 . . . A 11 THR CA . 11488 1 66 . 1 1 11 11 THR CB C 13 70.585 0.300 . 1 . . . A 11 THR CB . 11488 1 67 . 1 1 11 11 THR CG2 C 13 21.392 0.300 . 1 . . . A 11 THR CG2 . 11488 1 68 . 1 1 11 11 THR N N 15 119.193 0.300 . 1 . . . A 11 THR N . 11488 1 69 . 1 1 12 12 CYS H H 1 9.198 0.030 . 1 . . . A 12 CYS H . 11488 1 70 . 1 1 12 12 CYS HA H 1 4.600 0.030 . 1 . . . A 12 CYS HA . 11488 1 71 . 1 1 12 12 CYS HB2 H 1 3.381 0.030 . 2 . . . A 12 CYS HB2 . 11488 1 72 . 1 1 12 12 CYS HB3 H 1 2.905 0.030 . 2 . . . A 12 CYS HB3 . 11488 1 73 . 1 1 12 12 CYS C C 13 177.080 0.300 . 1 . . . A 12 CYS C . 11488 1 74 . 1 1 12 12 CYS CA C 13 59.862 0.300 . 1 . . . A 12 CYS CA . 11488 1 75 . 1 1 12 12 CYS CB C 13 30.114 0.300 . 1 . . . A 12 CYS CB . 11488 1 76 . 1 1 12 12 CYS N N 15 128.234 0.300 . 1 . . . A 12 CYS N . 11488 1 77 . 1 1 13 13 GLU H H 1 9.565 0.030 . 1 . . . A 13 GLU H . 11488 1 78 . 1 1 13 13 GLU HA H 1 4.159 0.030 . 1 . . . A 13 GLU HA . 11488 1 79 . 1 1 13 13 GLU HB2 H 1 1.839 0.030 . 1 . . . A 13 GLU HB2 . 11488 1 80 . 1 1 13 13 GLU HB3 H 1 1.839 0.030 . 1 . . . A 13 GLU HB3 . 11488 1 81 . 1 1 13 13 GLU HG2 H 1 1.916 0.030 . 2 . . . A 13 GLU HG2 . 11488 1 82 . 1 1 13 13 GLU HG3 H 1 1.621 0.030 . 2 . . . A 13 GLU HG3 . 11488 1 83 . 1 1 13 13 GLU C C 13 176.282 0.300 . 1 . . . A 13 GLU C . 11488 1 84 . 1 1 13 13 GLU CA C 13 58.106 0.300 . 1 . . . A 13 GLU CA . 11488 1 85 . 1 1 13 13 GLU CB C 13 29.717 0.300 . 1 . . . A 13 GLU CB . 11488 1 86 . 1 1 13 13 GLU CG C 13 35.862 0.300 . 1 . . . A 13 GLU CG . 11488 1 87 . 1 1 13 13 GLU N N 15 131.090 0.300 . 1 . . . A 13 GLU N . 11488 1 88 . 1 1 14 14 TYR H H 1 9.072 0.030 . 1 . . . A 14 TYR H . 11488 1 89 . 1 1 14 14 TYR HA H 1 4.307 0.030 . 1 . . . A 14 TYR HA . 11488 1 90 . 1 1 14 14 TYR HB2 H 1 2.339 0.030 . 2 . . . A 14 TYR HB2 . 11488 1 91 . 1 1 14 14 TYR HB3 H 1 1.596 0.030 . 2 . . . A 14 TYR HB3 . 11488 1 92 . 1 1 14 14 TYR HD1 H 1 6.930 0.030 . 1 . . . A 14 TYR HD1 . 11488 1 93 . 1 1 14 14 TYR HD2 H 1 6.930 0.030 . 1 . . . A 14 TYR HD2 . 11488 1 94 . 1 1 14 14 TYR HE1 H 1 6.776 0.030 . 1 . . . A 14 TYR HE1 . 11488 1 95 . 1 1 14 14 TYR HE2 H 1 6.776 0.030 . 1 . . . A 14 TYR HE2 . 11488 1 96 . 1 1 14 14 TYR C C 13 177.047 0.300 . 1 . . . A 14 TYR C . 11488 1 97 . 1 1 14 14 TYR CA C 13 60.050 0.300 . 1 . . . A 14 TYR CA . 11488 1 98 . 1 1 14 14 TYR CB C 13 37.146 0.300 . 1 . . . A 14 TYR CB . 11488 1 99 . 1 1 14 14 TYR CD1 C 13 133.056 0.300 . 1 . . . A 14 TYR CD1 . 11488 1 100 . 1 1 14 14 TYR CD2 C 13 133.056 0.300 . 1 . . . A 14 TYR CD2 . 11488 1 101 . 1 1 14 14 TYR CE1 C 13 118.180 0.300 . 1 . . . A 14 TYR CE1 . 11488 1 102 . 1 1 14 14 TYR CE2 C 13 118.180 0.300 . 1 . . . A 14 TYR CE2 . 11488 1 103 . 1 1 14 14 TYR N N 15 120.533 0.300 . 1 . . . A 14 TYR N . 11488 1 104 . 1 1 15 15 CYS H H 1 8.328 0.030 . 1 . . . A 15 CYS H . 11488 1 105 . 1 1 15 15 CYS HA H 1 5.171 0.030 . 1 . . . A 15 CYS HA . 11488 1 106 . 1 1 15 15 CYS HB2 H 1 3.480 0.030 . 2 . . . A 15 CYS HB2 . 11488 1 107 . 1 1 15 15 CYS HB3 H 1 2.917 0.030 . 2 . . . A 15 CYS HB3 . 11488 1 108 . 1 1 15 15 CYS C C 13 175.329 0.300 . 1 . . . A 15 CYS C . 11488 1 109 . 1 1 15 15 CYS CA C 13 58.681 0.300 . 1 . . . A 15 CYS CA . 11488 1 110 . 1 1 15 15 CYS CB C 13 31.906 0.300 . 1 . . . A 15 CYS CB . 11488 1 111 . 1 1 15 15 CYS N N 15 117.098 0.300 . 1 . . . A 15 CYS N . 11488 1 112 . 1 1 16 16 ASN H H 1 8.293 0.030 . 1 . . . A 16 ASN H . 11488 1 113 . 1 1 16 16 ASN HA H 1 4.517 0.030 . 1 . . . A 16 ASN HA . 11488 1 114 . 1 1 16 16 ASN HB2 H 1 3.011 0.030 . 1 . . . A 16 ASN HB2 . 11488 1 115 . 1 1 16 16 ASN HB3 H 1 3.011 0.030 . 1 . . . A 16 ASN HB3 . 11488 1 116 . 1 1 16 16 ASN HD21 H 1 6.786 0.030 . 2 . . . A 16 ASN HD21 . 11488 1 117 . 1 1 16 16 ASN HD22 H 1 7.438 0.030 . 2 . . . A 16 ASN HD22 . 11488 1 118 . 1 1 16 16 ASN C C 13 174.048 0.300 . 1 . . . A 16 ASN C . 11488 1 119 . 1 1 16 16 ASN CA C 13 55.423 0.300 . 1 . . . A 16 ASN CA . 11488 1 120 . 1 1 16 16 ASN CB C 13 37.856 0.300 . 1 . . . A 16 ASN CB . 11488 1 121 . 1 1 16 16 ASN N N 15 118.059 0.300 . 1 . . . A 16 ASN N . 11488 1 122 . 1 1 16 16 ASN ND2 N 15 112.244 0.300 . 1 . . . A 16 ASN ND2 . 11488 1 123 . 1 1 17 17 LYS H H 1 7.870 0.030 . 1 . . . A 17 LYS H . 11488 1 124 . 1 1 17 17 LYS HA H 1 4.082 0.030 . 1 . . . A 17 LYS HA . 11488 1 125 . 1 1 17 17 LYS HB2 H 1 1.534 0.030 . 2 . . . A 17 LYS HB2 . 11488 1 126 . 1 1 17 17 LYS HB3 H 1 1.257 0.030 . 2 . . . A 17 LYS HB3 . 11488 1 127 . 1 1 17 17 LYS HG2 H 1 1.494 0.030 . 2 . . . A 17 LYS HG2 . 11488 1 128 . 1 1 17 17 LYS HG3 H 1 1.046 0.030 . 2 . . . A 17 LYS HG3 . 11488 1 129 . 1 1 17 17 LYS HD2 H 1 1.411 0.030 . 2 . . . A 17 LYS HD2 . 11488 1 130 . 1 1 17 17 LYS HD3 H 1 1.520 0.030 . 2 . . . A 17 LYS HD3 . 11488 1 131 . 1 1 17 17 LYS HE2 H 1 2.987 0.030 . 2 . . . A 17 LYS HE2 . 11488 1 132 . 1 1 17 17 LYS HE3 H 1 2.903 0.030 . 2 . . . A 17 LYS HE3 . 11488 1 133 . 1 1 17 17 LYS C C 13 174.446 0.300 . 1 . . . A 17 LYS C . 11488 1 134 . 1 1 17 17 LYS CA C 13 58.297 0.300 . 1 . . . A 17 LYS CA . 11488 1 135 . 1 1 17 17 LYS CB C 13 34.088 0.300 . 1 . . . A 17 LYS CB . 11488 1 136 . 1 1 17 17 LYS CG C 13 26.451 0.300 . 1 . . . A 17 LYS CG . 11488 1 137 . 1 1 17 17 LYS CD C 13 29.333 0.300 . 1 . . . A 17 LYS CD . 11488 1 138 . 1 1 17 17 LYS CE C 13 42.227 0.300 . 1 . . . A 17 LYS CE . 11488 1 139 . 1 1 17 17 LYS N N 15 121.832 0.300 . 1 . . . A 17 LYS N . 11488 1 140 . 1 1 18 18 VAL H H 1 7.628 0.030 . 1 . . . A 18 VAL H . 11488 1 141 . 1 1 18 18 VAL HA H 1 4.709 0.030 . 1 . . . A 18 VAL HA . 11488 1 142 . 1 1 18 18 VAL HB H 1 1.727 0.030 . 1 . . . A 18 VAL HB . 11488 1 143 . 1 1 18 18 VAL HG11 H 1 0.796 0.030 . 1 . . . A 18 VAL HG11 . 11488 1 144 . 1 1 18 18 VAL HG12 H 1 0.796 0.030 . 1 . . . A 18 VAL HG12 . 11488 1 145 . 1 1 18 18 VAL HG13 H 1 0.796 0.030 . 1 . . . A 18 VAL HG13 . 11488 1 146 . 1 1 18 18 VAL HG21 H 1 0.823 0.030 . 1 . . . A 18 VAL HG21 . 11488 1 147 . 1 1 18 18 VAL HG22 H 1 0.823 0.030 . 1 . . . A 18 VAL HG22 . 11488 1 148 . 1 1 18 18 VAL HG23 H 1 0.823 0.030 . 1 . . . A 18 VAL HG23 . 11488 1 149 . 1 1 18 18 VAL C C 13 175.318 0.300 . 1 . . . A 18 VAL C . 11488 1 150 . 1 1 18 18 VAL CA C 13 60.866 0.300 . 1 . . . A 18 VAL CA . 11488 1 151 . 1 1 18 18 VAL CB C 13 34.015 0.300 . 1 . . . A 18 VAL CB . 11488 1 152 . 1 1 18 18 VAL CG1 C 13 21.990 0.300 . 2 . . . A 18 VAL CG1 . 11488 1 153 . 1 1 18 18 VAL CG2 C 13 20.593 0.300 . 2 . . . A 18 VAL CG2 . 11488 1 154 . 1 1 18 18 VAL N N 15 118.713 0.300 . 1 . . . A 18 VAL N . 11488 1 155 . 1 1 19 19 PHE H H 1 9.051 0.030 . 1 . . . A 19 PHE H . 11488 1 156 . 1 1 19 19 PHE HA H 1 4.708 0.030 . 1 . . . A 19 PHE HA . 11488 1 157 . 1 1 19 19 PHE HB2 H 1 3.345 0.030 . 2 . . . A 19 PHE HB2 . 11488 1 158 . 1 1 19 19 PHE HB3 H 1 2.687 0.030 . 2 . . . A 19 PHE HB3 . 11488 1 159 . 1 1 19 19 PHE HD1 H 1 7.216 0.030 . 1 . . . A 19 PHE HD1 . 11488 1 160 . 1 1 19 19 PHE HD2 H 1 7.216 0.030 . 1 . . . A 19 PHE HD2 . 11488 1 161 . 1 1 19 19 PHE HE1 H 1 6.850 0.030 . 1 . . . A 19 PHE HE1 . 11488 1 162 . 1 1 19 19 PHE HE2 H 1 6.850 0.030 . 1 . . . A 19 PHE HE2 . 11488 1 163 . 1 1 19 19 PHE HZ H 1 6.109 0.030 . 1 . . . A 19 PHE HZ . 11488 1 164 . 1 1 19 19 PHE C C 13 175.059 0.300 . 1 . . . A 19 PHE C . 11488 1 165 . 1 1 19 19 PHE CA C 13 56.979 0.300 . 1 . . . A 19 PHE CA . 11488 1 166 . 1 1 19 19 PHE CB C 13 43.278 0.300 . 1 . . . A 19 PHE CB . 11488 1 167 . 1 1 19 19 PHE CD1 C 13 132.437 0.300 . 1 . . . A 19 PHE CD1 . 11488 1 168 . 1 1 19 19 PHE CD2 C 13 132.437 0.300 . 1 . . . A 19 PHE CD2 . 11488 1 169 . 1 1 19 19 PHE CE1 C 13 130.637 0.300 . 1 . . . A 19 PHE CE1 . 11488 1 170 . 1 1 19 19 PHE CE2 C 13 130.637 0.300 . 1 . . . A 19 PHE CE2 . 11488 1 171 . 1 1 19 19 PHE CZ C 13 128.494 0.300 . 1 . . . A 19 PHE CZ . 11488 1 172 . 1 1 19 19 PHE N N 15 122.240 0.300 . 1 . . . A 19 PHE N . 11488 1 173 . 1 1 20 20 LYS H H 1 8.877 0.030 . 1 . . . A 20 LYS H . 11488 1 174 . 1 1 20 20 LYS HA H 1 4.347 0.030 . 1 . . . A 20 LYS HA . 11488 1 175 . 1 1 20 20 LYS HB2 H 1 1.482 0.030 . 2 . . . A 20 LYS HB2 . 11488 1 176 . 1 1 20 20 LYS HB3 H 1 1.394 0.030 . 2 . . . A 20 LYS HB3 . 11488 1 177 . 1 1 20 20 LYS HG2 H 1 1.269 0.030 . 2 . . . A 20 LYS HG2 . 11488 1 178 . 1 1 20 20 LYS HG3 H 1 1.060 0.030 . 2 . . . A 20 LYS HG3 . 11488 1 179 . 1 1 20 20 LYS HD2 H 1 1.572 0.030 . 1 . . . A 20 LYS HD2 . 11488 1 180 . 1 1 20 20 LYS HD3 H 1 1.572 0.030 . 1 . . . A 20 LYS HD3 . 11488 1 181 . 1 1 20 20 LYS HE2 H 1 2.906 0.030 . 1 . . . A 20 LYS HE2 . 11488 1 182 . 1 1 20 20 LYS HE3 H 1 2.906 0.030 . 1 . . . A 20 LYS HE3 . 11488 1 183 . 1 1 20 20 LYS C C 13 175.296 0.300 . 1 . . . A 20 LYS C . 11488 1 184 . 1 1 20 20 LYS CA C 13 57.095 0.300 . 1 . . . A 20 LYS CA . 11488 1 185 . 1 1 20 20 LYS CB C 13 33.278 0.300 . 1 . . . A 20 LYS CB . 11488 1 186 . 1 1 20 20 LYS CG C 13 24.776 0.300 . 1 . . . A 20 LYS CG . 11488 1 187 . 1 1 20 20 LYS CD C 13 28.977 0.300 . 1 . . . A 20 LYS CD . 11488 1 188 . 1 1 20 20 LYS CE C 13 42.050 0.300 . 1 . . . A 20 LYS CE . 11488 1 189 . 1 1 20 20 LYS N N 15 120.516 0.300 . 1 . . . A 20 LYS N . 11488 1 190 . 1 1 21 21 PHE H H 1 7.190 0.030 . 1 . . . A 21 PHE H . 11488 1 191 . 1 1 21 21 PHE HA H 1 4.959 0.030 . 1 . . . A 21 PHE HA . 11488 1 192 . 1 1 21 21 PHE HB2 H 1 2.955 0.030 . 2 . . . A 21 PHE HB2 . 11488 1 193 . 1 1 21 21 PHE HB3 H 1 2.417 0.030 . 2 . . . A 21 PHE HB3 . 11488 1 194 . 1 1 21 21 PHE HD1 H 1 7.428 0.030 . 1 . . . A 21 PHE HD1 . 11488 1 195 . 1 1 21 21 PHE HD2 H 1 7.428 0.030 . 1 . . . A 21 PHE HD2 . 11488 1 196 . 1 1 21 21 PHE HE1 H 1 7.471 0.030 . 1 . . . A 21 PHE HE1 . 11488 1 197 . 1 1 21 21 PHE HE2 H 1 7.471 0.030 . 1 . . . A 21 PHE HE2 . 11488 1 198 . 1 1 21 21 PHE HZ H 1 7.403 0.030 . 1 . . . A 21 PHE HZ . 11488 1 199 . 1 1 21 21 PHE C C 13 175.806 0.300 . 1 . . . A 21 PHE C . 11488 1 200 . 1 1 21 21 PHE CA C 13 55.294 0.300 . 1 . . . A 21 PHE CA . 11488 1 201 . 1 1 21 21 PHE CB C 13 42.378 0.300 . 1 . . . A 21 PHE CB . 11488 1 202 . 1 1 21 21 PHE CD1 C 13 132.659 0.300 . 1 . . . A 21 PHE CD1 . 11488 1 203 . 1 1 21 21 PHE CD2 C 13 132.659 0.300 . 1 . . . A 21 PHE CD2 . 11488 1 204 . 1 1 21 21 PHE CE1 C 13 131.449 0.300 . 1 . . . A 21 PHE CE1 . 11488 1 205 . 1 1 21 21 PHE CE2 C 13 131.449 0.300 . 1 . . . A 21 PHE CE2 . 11488 1 206 . 1 1 21 21 PHE CZ C 13 129.968 0.300 . 1 . . . A 21 PHE CZ . 11488 1 207 . 1 1 21 21 PHE N N 15 112.406 0.300 . 1 . . . A 21 PHE N . 11488 1 208 . 1 1 22 22 LYS H H 1 8.726 0.030 . 1 . . . A 22 LYS H . 11488 1 209 . 1 1 22 22 LYS HA H 1 2.862 0.030 . 1 . . . A 22 LYS HA . 11488 1 210 . 1 1 22 22 LYS HB2 H 1 1.556 0.030 . 2 . . . A 22 LYS HB2 . 11488 1 211 . 1 1 22 22 LYS HB3 H 1 1.195 0.030 . 2 . . . A 22 LYS HB3 . 11488 1 212 . 1 1 22 22 LYS HG2 H 1 1.158 0.030 . 2 . . . A 22 LYS HG2 . 11488 1 213 . 1 1 22 22 LYS HG3 H 1 1.060 0.030 . 2 . . . A 22 LYS HG3 . 11488 1 214 . 1 1 22 22 LYS HD2 H 1 1.605 0.030 . 1 . . . A 22 LYS HD2 . 11488 1 215 . 1 1 22 22 LYS HD3 H 1 1.605 0.030 . 1 . . . A 22 LYS HD3 . 11488 1 216 . 1 1 22 22 LYS HE2 H 1 2.921 0.030 . 2 . . . A 22 LYS HE2 . 11488 1 217 . 1 1 22 22 LYS HE3 H 1 2.838 0.030 . 2 . . . A 22 LYS HE3 . 11488 1 218 . 1 1 22 22 LYS C C 13 178.829 0.300 . 1 . . . A 22 LYS C . 11488 1 219 . 1 1 22 22 LYS CA C 13 59.474 0.300 . 1 . . . A 22 LYS CA . 11488 1 220 . 1 1 22 22 LYS CB C 13 31.829 0.300 . 1 . . . A 22 LYS CB . 11488 1 221 . 1 1 22 22 LYS CG C 13 24.781 0.300 . 1 . . . A 22 LYS CG . 11488 1 222 . 1 1 22 22 LYS CD C 13 29.320 0.300 . 1 . . . A 22 LYS CD . 11488 1 223 . 1 1 22 22 LYS CE C 13 42.148 0.300 . 1 . . . A 22 LYS CE . 11488 1 224 . 1 1 22 22 LYS N N 15 126.468 0.300 . 1 . . . A 22 LYS N . 11488 1 225 . 1 1 23 23 HIS HA H 1 4.380 0.030 . 1 . . . A 23 HIS HA . 11488 1 226 . 1 1 23 23 HIS HB2 H 1 3.137 0.030 . 2 . . . A 23 HIS HB2 . 11488 1 227 . 1 1 23 23 HIS HB3 H 1 3.047 0.030 . 2 . . . A 23 HIS HB3 . 11488 1 228 . 1 1 23 23 HIS HD2 H 1 6.975 0.030 . 1 . . . A 23 HIS HD2 . 11488 1 229 . 1 1 23 23 HIS HE1 H 1 7.375 0.030 . 1 . . . A 23 HIS HE1 . 11488 1 230 . 1 1 23 23 HIS C C 13 178.158 0.300 . 1 . . . A 23 HIS C . 11488 1 231 . 1 1 23 23 HIS CA C 13 58.981 0.300 . 1 . . . A 23 HIS CA . 11488 1 232 . 1 1 23 23 HIS CB C 13 29.153 0.300 . 1 . . . A 23 HIS CB . 11488 1 233 . 1 1 23 23 HIS CD2 C 13 119.370 0.300 . 1 . . . A 23 HIS CD2 . 11488 1 234 . 1 1 23 23 HIS CE1 C 13 138.839 0.300 . 1 . . . A 23 HIS CE1 . 11488 1 235 . 1 1 24 24 SER H H 1 6.478 0.030 . 1 . . . A 24 SER H . 11488 1 236 . 1 1 24 24 SER HA H 1 4.269 0.030 . 1 . . . A 24 SER HA . 11488 1 237 . 1 1 24 24 SER HB2 H 1 4.071 0.030 . 2 . . . A 24 SER HB2 . 11488 1 238 . 1 1 24 24 SER HB3 H 1 3.990 0.030 . 2 . . . A 24 SER HB3 . 11488 1 239 . 1 1 24 24 SER C C 13 176.624 0.300 . 1 . . . A 24 SER C . 11488 1 240 . 1 1 24 24 SER CA C 13 60.484 0.300 . 1 . . . A 24 SER CA . 11488 1 241 . 1 1 24 24 SER CB C 13 62.396 0.300 . 1 . . . A 24 SER CB . 11488 1 242 . 1 1 24 24 SER N N 15 118.183 0.300 . 1 . . . A 24 SER N . 11488 1 243 . 1 1 25 25 LEU H H 1 6.965 0.030 . 1 . . . A 25 LEU H . 11488 1 244 . 1 1 25 25 LEU HA H 1 3.060 0.030 . 1 . . . A 25 LEU HA . 11488 1 245 . 1 1 25 25 LEU HB2 H 1 1.886 0.030 . 2 . . . A 25 LEU HB2 . 11488 1 246 . 1 1 25 25 LEU HB3 H 1 1.159 0.030 . 2 . . . A 25 LEU HB3 . 11488 1 247 . 1 1 25 25 LEU HG H 1 1.526 0.030 . 1 . . . A 25 LEU HG . 11488 1 248 . 1 1 25 25 LEU HD11 H 1 0.997 0.030 . 1 . . . A 25 LEU HD11 . 11488 1 249 . 1 1 25 25 LEU HD12 H 1 0.997 0.030 . 1 . . . A 25 LEU HD12 . 11488 1 250 . 1 1 25 25 LEU HD13 H 1 0.997 0.030 . 1 . . . A 25 LEU HD13 . 11488 1 251 . 1 1 25 25 LEU HD21 H 1 1.069 0.030 . 1 . . . A 25 LEU HD21 . 11488 1 252 . 1 1 25 25 LEU HD22 H 1 1.069 0.030 . 1 . . . A 25 LEU HD22 . 11488 1 253 . 1 1 25 25 LEU HD23 H 1 1.069 0.030 . 1 . . . A 25 LEU HD23 . 11488 1 254 . 1 1 25 25 LEU C C 13 177.390 0.300 . 1 . . . A 25 LEU C . 11488 1 255 . 1 1 25 25 LEU CA C 13 57.705 0.300 . 1 . . . A 25 LEU CA . 11488 1 256 . 1 1 25 25 LEU CB C 13 40.236 0.300 . 1 . . . A 25 LEU CB . 11488 1 257 . 1 1 25 25 LEU CG C 13 27.730 0.300 . 1 . . . A 25 LEU CG . 11488 1 258 . 1 1 25 25 LEU CD1 C 13 22.585 0.300 . 2 . . . A 25 LEU CD1 . 11488 1 259 . 1 1 25 25 LEU CD2 C 13 26.664 0.300 . 2 . . . A 25 LEU CD2 . 11488 1 260 . 1 1 25 25 LEU N N 15 124.201 0.300 . 1 . . . A 25 LEU N . 11488 1 261 . 1 1 26 26 GLN H H 1 8.267 0.030 . 1 . . . A 26 GLN H . 11488 1 262 . 1 1 26 26 GLN HA H 1 3.831 0.030 . 1 . . . A 26 GLN HA . 11488 1 263 . 1 1 26 26 GLN HB2 H 1 2.106 0.030 . 2 . . . A 26 GLN HB2 . 11488 1 264 . 1 1 26 26 GLN HB3 H 1 2.037 0.030 . 2 . . . A 26 GLN HB3 . 11488 1 265 . 1 1 26 26 GLN HG2 H 1 2.427 0.030 . 2 . . . A 26 GLN HG2 . 11488 1 266 . 1 1 26 26 GLN HG3 H 1 2.334 0.030 . 2 . . . A 26 GLN HG3 . 11488 1 267 . 1 1 26 26 GLN C C 13 178.480 0.300 . 1 . . . A 26 GLN C . 11488 1 268 . 1 1 26 26 GLN CA C 13 59.392 0.300 . 1 . . . A 26 GLN CA . 11488 1 269 . 1 1 26 26 GLN CB C 13 28.336 0.300 . 1 . . . A 26 GLN CB . 11488 1 270 . 1 1 26 26 GLN CG C 13 34.185 0.300 . 1 . . . A 26 GLN CG . 11488 1 271 . 1 1 26 26 GLN N N 15 116.994 0.300 . 1 . . . A 26 GLN N . 11488 1 272 . 1 1 27 27 ALA H H 1 7.544 0.030 . 1 . . . A 27 ALA H . 11488 1 273 . 1 1 27 27 ALA HA H 1 4.088 0.030 . 1 . . . A 27 ALA HA . 11488 1 274 . 1 1 27 27 ALA HB1 H 1 1.458 0.030 . 1 . . . A 27 ALA HB1 . 11488 1 275 . 1 1 27 27 ALA HB2 H 1 1.458 0.030 . 1 . . . A 27 ALA HB2 . 11488 1 276 . 1 1 27 27 ALA HB3 H 1 1.458 0.030 . 1 . . . A 27 ALA HB3 . 11488 1 277 . 1 1 27 27 ALA C C 13 180.113 0.300 . 1 . . . A 27 ALA C . 11488 1 278 . 1 1 27 27 ALA CA C 13 54.730 0.300 . 1 . . . A 27 ALA CA . 11488 1 279 . 1 1 27 27 ALA CB C 13 18.208 0.300 . 1 . . . A 27 ALA CB . 11488 1 280 . 1 1 27 27 ALA N N 15 119.622 0.300 . 1 . . . A 27 ALA N . 11488 1 281 . 1 1 28 28 HIS H H 1 7.480 0.030 . 1 . . . A 28 HIS H . 11488 1 282 . 1 1 28 28 HIS HA H 1 4.214 0.030 . 1 . . . A 28 HIS HA . 11488 1 283 . 1 1 28 28 HIS HB2 H 1 3.166 0.030 . 2 . . . A 28 HIS HB2 . 11488 1 284 . 1 1 28 28 HIS HB3 H 1 2.908 0.030 . 2 . . . A 28 HIS HB3 . 11488 1 285 . 1 1 28 28 HIS HD2 H 1 7.100 0.030 . 1 . . . A 28 HIS HD2 . 11488 1 286 . 1 1 28 28 HIS HE1 H 1 8.075 0.030 . 1 . . . A 28 HIS HE1 . 11488 1 287 . 1 1 28 28 HIS C C 13 176.077 0.300 . 1 . . . A 28 HIS C . 11488 1 288 . 1 1 28 28 HIS CA C 13 59.095 0.300 . 1 . . . A 28 HIS CA . 11488 1 289 . 1 1 28 28 HIS CB C 13 28.598 0.300 . 1 . . . A 28 HIS CB . 11488 1 290 . 1 1 28 28 HIS CD2 C 13 127.484 0.300 . 1 . . . A 28 HIS CD2 . 11488 1 291 . 1 1 28 28 HIS CE1 C 13 139.529 0.300 . 1 . . . A 28 HIS CE1 . 11488 1 292 . 1 1 28 28 HIS N N 15 118.919 0.300 . 1 . . . A 28 HIS N . 11488 1 293 . 1 1 29 29 LEU H H 1 8.352 0.030 . 1 . . . A 29 LEU H . 11488 1 294 . 1 1 29 29 LEU HA H 1 3.847 0.030 . 1 . . . A 29 LEU HA . 11488 1 295 . 1 1 29 29 LEU HB2 H 1 1.947 0.030 . 2 . . . A 29 LEU HB2 . 11488 1 296 . 1 1 29 29 LEU HB3 H 1 1.577 0.030 . 2 . . . A 29 LEU HB3 . 11488 1 297 . 1 1 29 29 LEU HG H 1 2.055 0.030 . 1 . . . A 29 LEU HG . 11488 1 298 . 1 1 29 29 LEU HD11 H 1 1.073 0.030 . 1 . . . A 29 LEU HD11 . 11488 1 299 . 1 1 29 29 LEU HD12 H 1 1.073 0.030 . 1 . . . A 29 LEU HD12 . 11488 1 300 . 1 1 29 29 LEU HD13 H 1 1.073 0.030 . 1 . . . A 29 LEU HD13 . 11488 1 301 . 1 1 29 29 LEU HD21 H 1 1.459 0.030 . 1 . . . A 29 LEU HD21 . 11488 1 302 . 1 1 29 29 LEU HD22 H 1 1.459 0.030 . 1 . . . A 29 LEU HD22 . 11488 1 303 . 1 1 29 29 LEU HD23 H 1 1.459 0.030 . 1 . . . A 29 LEU HD23 . 11488 1 304 . 1 1 29 29 LEU C C 13 178.679 0.300 . 1 . . . A 29 LEU C . 11488 1 305 . 1 1 29 29 LEU CA C 13 58.098 0.300 . 1 . . . A 29 LEU CA . 11488 1 306 . 1 1 29 29 LEU CB C 13 42.409 0.300 . 1 . . . A 29 LEU CB . 11488 1 307 . 1 1 29 29 LEU CG C 13 27.332 0.300 . 1 . . . A 29 LEU CG . 11488 1 308 . 1 1 29 29 LEU CD1 C 13 25.766 0.300 . 2 . . . A 29 LEU CD1 . 11488 1 309 . 1 1 29 29 LEU CD2 C 13 24.974 0.300 . 2 . . . A 29 LEU CD2 . 11488 1 310 . 1 1 29 29 LEU N N 15 117.018 0.300 . 1 . . . A 29 LEU N . 11488 1 311 . 1 1 30 30 ARG H H 1 7.046 0.030 . 1 . . . A 30 ARG H . 11488 1 312 . 1 1 30 30 ARG HA H 1 4.043 0.030 . 1 . . . A 30 ARG HA . 11488 1 313 . 1 1 30 30 ARG HB2 H 1 1.863 0.030 . 2 . . . A 30 ARG HB2 . 11488 1 314 . 1 1 30 30 ARG HB3 H 1 1.803 0.030 . 2 . . . A 30 ARG HB3 . 11488 1 315 . 1 1 30 30 ARG HG2 H 1 1.800 0.030 . 2 . . . A 30 ARG HG2 . 11488 1 316 . 1 1 30 30 ARG HG3 H 1 1.661 0.030 . 2 . . . A 30 ARG HG3 . 11488 1 317 . 1 1 30 30 ARG HD2 H 1 3.224 0.030 . 1 . . . A 30 ARG HD2 . 11488 1 318 . 1 1 30 30 ARG HD3 H 1 3.224 0.030 . 1 . . . A 30 ARG HD3 . 11488 1 319 . 1 1 30 30 ARG C C 13 178.408 0.300 . 1 . . . A 30 ARG C . 11488 1 320 . 1 1 30 30 ARG CA C 13 58.486 0.300 . 1 . . . A 30 ARG CA . 11488 1 321 . 1 1 30 30 ARG CB C 13 30.088 0.300 . 1 . . . A 30 ARG CB . 11488 1 322 . 1 1 30 30 ARG CG C 13 27.591 0.300 . 1 . . . A 30 ARG CG . 11488 1 323 . 1 1 30 30 ARG CD C 13 43.362 0.300 . 1 . . . A 30 ARG CD . 11488 1 324 . 1 1 30 30 ARG N N 15 116.586 0.300 . 1 . . . A 30 ARG N . 11488 1 325 . 1 1 31 31 ILE H H 1 7.770 0.030 . 1 . . . A 31 ILE H . 11488 1 326 . 1 1 31 31 ILE HA H 1 3.957 0.030 . 1 . . . A 31 ILE HA . 11488 1 327 . 1 1 31 31 ILE HB H 1 1.667 0.030 . 1 . . . A 31 ILE HB . 11488 1 328 . 1 1 31 31 ILE HG12 H 1 0.892 0.030 . 2 . . . A 31 ILE HG12 . 11488 1 329 . 1 1 31 31 ILE HG13 H 1 0.532 0.030 . 2 . . . A 31 ILE HG13 . 11488 1 330 . 1 1 31 31 ILE HG21 H 1 0.576 0.030 . 1 . . . A 31 ILE HG21 . 11488 1 331 . 1 1 31 31 ILE HG22 H 1 0.576 0.030 . 1 . . . A 31 ILE HG22 . 11488 1 332 . 1 1 31 31 ILE HG23 H 1 0.576 0.030 . 1 . . . A 31 ILE HG23 . 11488 1 333 . 1 1 31 31 ILE HD11 H 1 0.631 0.030 . 1 . . . A 31 ILE HD11 . 11488 1 334 . 1 1 31 31 ILE HD12 H 1 0.631 0.030 . 1 . . . A 31 ILE HD12 . 11488 1 335 . 1 1 31 31 ILE HD13 H 1 0.631 0.030 . 1 . . . A 31 ILE HD13 . 11488 1 336 . 1 1 31 31 ILE C C 13 177.264 0.300 . 1 . . . A 31 ILE C . 11488 1 337 . 1 1 31 31 ILE CA C 13 62.979 0.300 . 1 . . . A 31 ILE CA . 11488 1 338 . 1 1 31 31 ILE CB C 13 37.632 0.300 . 1 . . . A 31 ILE CB . 11488 1 339 . 1 1 31 31 ILE CG1 C 13 26.344 0.300 . 1 . . . A 31 ILE CG1 . 11488 1 340 . 1 1 31 31 ILE CG2 C 13 16.443 0.300 . 1 . . . A 31 ILE CG2 . 11488 1 341 . 1 1 31 31 ILE CD1 C 13 14.480 0.300 . 1 . . . A 31 ILE CD1 . 11488 1 342 . 1 1 31 31 ILE N N 15 115.296 0.300 . 1 . . . A 31 ILE N . 11488 1 343 . 1 1 32 32 HIS H H 1 7.223 0.030 . 1 . . . A 32 HIS H . 11488 1 344 . 1 1 32 32 HIS HA H 1 4.641 0.030 . 1 . . . A 32 HIS HA . 11488 1 345 . 1 1 32 32 HIS HB2 H 1 2.539 0.030 . 2 . . . A 32 HIS HB2 . 11488 1 346 . 1 1 32 32 HIS HB3 H 1 2.278 0.030 . 2 . . . A 32 HIS HB3 . 11488 1 347 . 1 1 32 32 HIS HD2 H 1 6.664 0.030 . 1 . . . A 32 HIS HD2 . 11488 1 348 . 1 1 32 32 HIS HE1 H 1 8.039 0.030 . 1 . . . A 32 HIS HE1 . 11488 1 349 . 1 1 32 32 HIS C C 13 175.549 0.300 . 1 . . . A 32 HIS C . 11488 1 350 . 1 1 32 32 HIS CA C 13 55.119 0.300 . 1 . . . A 32 HIS CA . 11488 1 351 . 1 1 32 32 HIS CB C 13 28.270 0.300 . 1 . . . A 32 HIS CB . 11488 1 352 . 1 1 32 32 HIS CD2 C 13 128.438 0.300 . 1 . . . A 32 HIS CD2 . 11488 1 353 . 1 1 32 32 HIS CE1 C 13 140.096 0.300 . 1 . . . A 32 HIS CE1 . 11488 1 354 . 1 1 32 32 HIS N N 15 117.904 0.300 . 1 . . . A 32 HIS N . 11488 1 355 . 1 1 33 33 THR H H 1 7.578 0.030 . 1 . . . A 33 THR H . 11488 1 356 . 1 1 33 33 THR HA H 1 4.108 0.030 . 1 . . . A 33 THR HA . 11488 1 357 . 1 1 33 33 THR HB H 1 4.203 0.030 . 1 . . . A 33 THR HB . 11488 1 358 . 1 1 33 33 THR HG21 H 1 1.169 0.030 . 1 . . . A 33 THR HG21 . 11488 1 359 . 1 1 33 33 THR HG22 H 1 1.169 0.030 . 1 . . . A 33 THR HG22 . 11488 1 360 . 1 1 33 33 THR HG23 H 1 1.169 0.030 . 1 . . . A 33 THR HG23 . 11488 1 361 . 1 1 33 33 THR C C 13 174.487 0.300 . 1 . . . A 33 THR C . 11488 1 362 . 1 1 33 33 THR CA C 13 63.037 0.300 . 1 . . . A 33 THR CA . 11488 1 363 . 1 1 33 33 THR CB C 13 69.409 0.300 . 1 . . . A 33 THR CB . 11488 1 364 . 1 1 33 33 THR CG2 C 13 21.371 0.300 . 1 . . . A 33 THR CG2 . 11488 1 365 . 1 1 33 33 THR N N 15 112.476 0.300 . 1 . . . A 33 THR N . 11488 1 366 . 1 1 34 34 ASN H H 1 8.291 0.030 . 1 . . . A 34 ASN H . 11488 1 367 . 1 1 34 34 ASN HA H 1 4.641 0.030 . 1 . . . A 34 ASN HA . 11488 1 368 . 1 1 34 34 ASN HB2 H 1 2.808 0.030 . 2 . . . A 34 ASN HB2 . 11488 1 369 . 1 1 34 34 ASN HB3 H 1 2.694 0.030 . 2 . . . A 34 ASN HB3 . 11488 1 370 . 1 1 34 34 ASN HD21 H 1 6.805 0.030 . 2 . . . A 34 ASN HD21 . 11488 1 371 . 1 1 34 34 ASN HD22 H 1 7.538 0.030 . 2 . . . A 34 ASN HD22 . 11488 1 372 . 1 1 34 34 ASN C C 13 175.000 0.300 . 1 . . . A 34 ASN C . 11488 1 373 . 1 1 34 34 ASN CA C 13 53.455 0.300 . 1 . . . A 34 ASN CA . 11488 1 374 . 1 1 34 34 ASN CB C 13 38.658 0.300 . 1 . . . A 34 ASN CB . 11488 1 375 . 1 1 34 34 ASN N N 15 119.759 0.300 . 1 . . . A 34 ASN N . 11488 1 376 . 1 1 34 34 ASN ND2 N 15 112.619 0.300 . 1 . . . A 34 ASN ND2 . 11488 1 377 . 1 1 35 35 GLU H H 1 7.925 0.030 . 1 . . . A 35 GLU H . 11488 1 378 . 1 1 35 35 GLU HA H 1 4.131 0.030 . 1 . . . A 35 GLU HA . 11488 1 379 . 1 1 35 35 GLU HB2 H 1 1.952 0.030 . 2 . . . A 35 GLU HB2 . 11488 1 380 . 1 1 35 35 GLU HB3 H 1 1.876 0.030 . 2 . . . A 35 GLU HB3 . 11488 1 381 . 1 1 35 35 GLU HG2 H 1 2.167 0.030 . 1 . . . A 35 GLU HG2 . 11488 1 382 . 1 1 35 35 GLU HG3 H 1 2.167 0.030 . 1 . . . A 35 GLU HG3 . 11488 1 383 . 1 1 35 35 GLU C C 13 176.270 0.300 . 1 . . . A 35 GLU C . 11488 1 384 . 1 1 35 35 GLU CA C 13 57.051 0.300 . 1 . . . A 35 GLU CA . 11488 1 385 . 1 1 35 35 GLU CB C 13 30.313 0.300 . 1 . . . A 35 GLU CB . 11488 1 386 . 1 1 35 35 GLU CG C 13 36.283 0.300 . 1 . . . A 35 GLU CG . 11488 1 387 . 1 1 35 35 GLU N N 15 120.053 0.300 . 1 . . . A 35 GLU N . 11488 1 388 . 1 1 36 36 LYS H H 1 8.189 0.030 . 1 . . . A 36 LYS H . 11488 1 389 . 1 1 36 36 LYS HA H 1 4.376 0.030 . 1 . . . A 36 LYS HA . 11488 1 390 . 1 1 36 36 LYS HB2 H 1 1.550 0.030 . 2 . . . A 36 LYS HB2 . 11488 1 391 . 1 1 36 36 LYS HB3 H 1 1.226 0.030 . 2 . . . A 36 LYS HB3 . 11488 1 392 . 1 1 36 36 LYS HG2 H 1 1.292 0.030 . 2 . . . A 36 LYS HG2 . 11488 1 393 . 1 1 36 36 LYS HG3 H 1 1.191 0.030 . 2 . . . A 36 LYS HG3 . 11488 1 394 . 1 1 36 36 LYS HD2 H 1 1.507 0.030 . 2 . . . A 36 LYS HD2 . 11488 1 395 . 1 1 36 36 LYS HD3 H 1 1.465 0.030 . 2 . . . A 36 LYS HD3 . 11488 1 396 . 1 1 36 36 LYS HE2 H 1 2.898 0.030 . 1 . . . A 36 LYS HE2 . 11488 1 397 . 1 1 36 36 LYS HE3 H 1 2.898 0.030 . 1 . . . A 36 LYS HE3 . 11488 1 398 . 1 1 36 36 LYS C C 13 173.663 0.300 . 1 . . . A 36 LYS C . 11488 1 399 . 1 1 36 36 LYS CA C 13 53.505 0.300 . 1 . . . A 36 LYS CA . 11488 1 400 . 1 1 36 36 LYS CB C 13 33.152 0.300 . 1 . . . A 36 LYS CB . 11488 1 401 . 1 1 36 36 LYS CG C 13 24.851 0.300 . 1 . . . A 36 LYS CG . 11488 1 402 . 1 1 36 36 LYS CD C 13 29.568 0.300 . 1 . . . A 36 LYS CD . 11488 1 403 . 1 1 36 36 LYS CE C 13 42.314 0.300 . 1 . . . A 36 LYS CE . 11488 1 404 . 1 1 36 36 LYS N N 15 120.576 0.300 . 1 . . . A 36 LYS N . 11488 1 405 . 1 1 37 37 PRO HA H 1 4.131 0.030 . 1 . . . A 37 PRO HA . 11488 1 406 . 1 1 37 37 PRO HB2 H 1 1.109 0.030 . 2 . . . A 37 PRO HB2 . 11488 1 407 . 1 1 37 37 PRO HB3 H 1 1.966 0.030 . 2 . . . A 37 PRO HB3 . 11488 1 408 . 1 1 37 37 PRO HG2 H 1 1.757 0.030 . 2 . . . A 37 PRO HG2 . 11488 1 409 . 1 1 37 37 PRO HG3 H 1 1.422 0.030 . 2 . . . A 37 PRO HG3 . 11488 1 410 . 1 1 37 37 PRO HD2 H 1 3.548 0.030 . 2 . . . A 37 PRO HD2 . 11488 1 411 . 1 1 37 37 PRO HD3 H 1 3.472 0.030 . 2 . . . A 37 PRO HD3 . 11488 1 412 . 1 1 37 37 PRO C C 13 176.446 0.300 . 1 . . . A 37 PRO C . 11488 1 413 . 1 1 37 37 PRO CA C 13 63.622 0.300 . 1 . . . A 37 PRO CA . 11488 1 414 . 1 1 37 37 PRO CB C 13 32.276 0.300 . 1 . . . A 37 PRO CB . 11488 1 415 . 1 1 37 37 PRO CG C 13 26.743 0.300 . 1 . . . A 37 PRO CG . 11488 1 416 . 1 1 37 37 PRO CD C 13 50.359 0.300 . 1 . . . A 37 PRO CD . 11488 1 417 . 1 1 38 38 TYR H H 1 7.721 0.030 . 1 . . . A 38 TYR H . 11488 1 418 . 1 1 38 38 TYR HA H 1 4.637 0.030 . 1 . . . A 38 TYR HA . 11488 1 419 . 1 1 38 38 TYR HB2 H 1 2.940 0.030 . 1 . . . A 38 TYR HB2 . 11488 1 420 . 1 1 38 38 TYR HB3 H 1 2.940 0.030 . 1 . . . A 38 TYR HB3 . 11488 1 421 . 1 1 38 38 TYR HD1 H 1 7.035 0.030 . 1 . . . A 38 TYR HD1 . 11488 1 422 . 1 1 38 38 TYR HD2 H 1 7.035 0.030 . 1 . . . A 38 TYR HD2 . 11488 1 423 . 1 1 38 38 TYR HE1 H 1 6.870 0.030 . 1 . . . A 38 TYR HE1 . 11488 1 424 . 1 1 38 38 TYR HE2 H 1 6.870 0.030 . 1 . . . A 38 TYR HE2 . 11488 1 425 . 1 1 38 38 TYR C C 13 173.892 0.300 . 1 . . . A 38 TYR C . 11488 1 426 . 1 1 38 38 TYR CA C 13 57.561 0.300 . 1 . . . A 38 TYR CA . 11488 1 427 . 1 1 38 38 TYR CB C 13 36.712 0.300 . 1 . . . A 38 TYR CB . 11488 1 428 . 1 1 38 38 TYR CD1 C 13 133.072 0.300 . 1 . . . A 38 TYR CD1 . 11488 1 429 . 1 1 38 38 TYR CD2 C 13 133.072 0.300 . 1 . . . A 38 TYR CD2 . 11488 1 430 . 1 1 38 38 TYR CE1 C 13 118.393 0.300 . 1 . . . A 38 TYR CE1 . 11488 1 431 . 1 1 38 38 TYR CE2 C 13 118.393 0.300 . 1 . . . A 38 TYR CE2 . 11488 1 432 . 1 1 38 38 TYR N N 15 119.024 0.300 . 1 . . . A 38 TYR N . 11488 1 433 . 1 1 39 39 LYS H H 1 8.195 0.030 . 1 . . . A 39 LYS H . 11488 1 434 . 1 1 39 39 LYS HA H 1 4.686 0.030 . 1 . . . A 39 LYS HA . 11488 1 435 . 1 1 39 39 LYS HB2 H 1 1.947 0.030 . 2 . . . A 39 LYS HB2 . 11488 1 436 . 1 1 39 39 LYS HB3 H 1 1.658 0.030 . 2 . . . A 39 LYS HB3 . 11488 1 437 . 1 1 39 39 LYS HG2 H 1 1.407 0.030 . 2 . . . A 39 LYS HG2 . 11488 1 438 . 1 1 39 39 LYS HG3 H 1 1.367 0.030 . 2 . . . A 39 LYS HG3 . 11488 1 439 . 1 1 39 39 LYS HD2 H 1 1.706 0.030 . 2 . . . A 39 LYS HD2 . 11488 1 440 . 1 1 39 39 LYS HD3 H 1 1.581 0.030 . 2 . . . A 39 LYS HD3 . 11488 1 441 . 1 1 39 39 LYS HE2 H 1 2.953 0.030 . 1 . . . A 39 LYS HE2 . 11488 1 442 . 1 1 39 39 LYS HE3 H 1 2.953 0.030 . 1 . . . A 39 LYS HE3 . 11488 1 443 . 1 1 39 39 LYS C C 13 175.709 0.300 . 1 . . . A 39 LYS C . 11488 1 444 . 1 1 39 39 LYS CA C 13 54.841 0.300 . 1 . . . A 39 LYS CA . 11488 1 445 . 1 1 39 39 LYS CB C 13 34.491 0.300 . 1 . . . A 39 LYS CB . 11488 1 446 . 1 1 39 39 LYS CG C 13 24.670 0.300 . 1 . . . A 39 LYS CG . 11488 1 447 . 1 1 39 39 LYS CD C 13 28.956 0.300 . 1 . . . A 39 LYS CD . 11488 1 448 . 1 1 39 39 LYS CE C 13 42.423 0.300 . 1 . . . A 39 LYS CE . 11488 1 449 . 1 1 39 39 LYS N N 15 124.466 0.300 . 1 . . . A 39 LYS N . 11488 1 450 . 1 1 40 40 CYS H H 1 8.894 0.030 . 1 . . . A 40 CYS H . 11488 1 451 . 1 1 40 40 CYS HA H 1 4.687 0.030 . 1 . . . A 40 CYS HA . 11488 1 452 . 1 1 40 40 CYS HB2 H 1 3.501 0.030 . 2 . . . A 40 CYS HB2 . 11488 1 453 . 1 1 40 40 CYS HB3 H 1 2.773 0.030 . 2 . . . A 40 CYS HB3 . 11488 1 454 . 1 1 40 40 CYS C C 13 174.854 0.300 . 1 . . . A 40 CYS C . 11488 1 455 . 1 1 40 40 CYS CA C 13 57.606 0.300 . 1 . . . A 40 CYS CA . 11488 1 456 . 1 1 40 40 CYS CB C 13 30.726 0.300 . 1 . . . A 40 CYS CB . 11488 1 457 . 1 1 40 40 CYS N N 15 129.045 0.300 . 1 . . . A 40 CYS N . 11488 1 458 . 1 1 41 41 PRO HA H 1 4.660 0.030 . 1 . . . A 41 PRO HA . 11488 1 459 . 1 1 41 41 PRO HB2 H 1 2.046 0.030 . 2 . . . A 41 PRO HB2 . 11488 1 460 . 1 1 41 41 PRO HB3 H 1 2.419 0.030 . 2 . . . A 41 PRO HB3 . 11488 1 461 . 1 1 41 41 PRO HG2 H 1 2.182 0.030 . 2 . . . A 41 PRO HG2 . 11488 1 462 . 1 1 41 41 PRO HG3 H 1 2.053 0.030 . 2 . . . A 41 PRO HG3 . 11488 1 463 . 1 1 41 41 PRO HD2 H 1 4.425 0.030 . 2 . . . A 41 PRO HD2 . 11488 1 464 . 1 1 41 41 PRO HD3 H 1 4.079 0.030 . 2 . . . A 41 PRO HD3 . 11488 1 465 . 1 1 41 41 PRO C C 13 177.615 0.300 . 1 . . . A 41 PRO C . 11488 1 466 . 1 1 41 41 PRO CA C 13 63.846 0.300 . 1 . . . A 41 PRO CA . 11488 1 467 . 1 1 41 41 PRO CB C 13 32.547 0.300 . 1 . . . A 41 PRO CB . 11488 1 468 . 1 1 41 41 PRO CG C 13 27.238 0.300 . 1 . . . A 41 PRO CG . 11488 1 469 . 1 1 41 41 PRO CD C 13 51.485 0.300 . 1 . . . A 41 PRO CD . 11488 1 470 . 1 1 42 42 GLN H H 1 9.643 0.030 . 1 . . . A 42 GLN H . 11488 1 471 . 1 1 42 42 GLN HA H 1 4.441 0.030 . 1 . . . A 42 GLN HA . 11488 1 472 . 1 1 42 42 GLN HB2 H 1 1.645 0.030 . 2 . . . A 42 GLN HB2 . 11488 1 473 . 1 1 42 42 GLN HB3 H 1 0.908 0.030 . 2 . . . A 42 GLN HB3 . 11488 1 474 . 1 1 42 42 GLN HG2 H 1 2.013 0.030 . 2 . . . A 42 GLN HG2 . 11488 1 475 . 1 1 42 42 GLN HG3 H 1 1.890 0.030 . 2 . . . A 42 GLN HG3 . 11488 1 476 . 1 1 42 42 GLN HE21 H 1 6.792 0.030 . 2 . . . A 42 GLN HE21 . 11488 1 477 . 1 1 42 42 GLN HE22 H 1 7.289 0.030 . 2 . . . A 42 GLN HE22 . 11488 1 478 . 1 1 42 42 GLN C C 13 174.820 0.300 . 1 . . . A 42 GLN C . 11488 1 479 . 1 1 42 42 GLN CA C 13 56.138 0.300 . 1 . . . A 42 GLN CA . 11488 1 480 . 1 1 42 42 GLN CB C 13 30.716 0.300 . 1 . . . A 42 GLN CB . 11488 1 481 . 1 1 42 42 GLN CG C 13 34.646 0.300 . 1 . . . A 42 GLN CG . 11488 1 482 . 1 1 42 42 GLN N N 15 119.920 0.300 . 1 . . . A 42 GLN N . 11488 1 483 . 1 1 42 42 GLN NE2 N 15 110.815 0.300 . 1 . . . A 42 GLN NE2 . 11488 1 484 . 1 1 43 43 CYS H H 1 7.969 0.030 . 1 . . . A 43 CYS H . 11488 1 485 . 1 1 43 43 CYS HA H 1 5.009 0.030 . 1 . . . A 43 CYS HA . 11488 1 486 . 1 1 43 43 CYS HB2 H 1 3.439 0.030 . 2 . . . A 43 CYS HB2 . 11488 1 487 . 1 1 43 43 CYS HB3 H 1 3.210 0.030 . 2 . . . A 43 CYS HB3 . 11488 1 488 . 1 1 43 43 CYS C C 13 173.312 0.300 . 1 . . . A 43 CYS C . 11488 1 489 . 1 1 43 43 CYS CA C 13 58.667 0.300 . 1 . . . A 43 CYS CA . 11488 1 490 . 1 1 43 43 CYS CB C 13 29.859 0.300 . 1 . . . A 43 CYS CB . 11488 1 491 . 1 1 43 43 CYS N N 15 120.976 0.300 . 1 . . . A 43 CYS N . 11488 1 492 . 1 1 44 44 SER H H 1 8.028 0.030 . 1 . . . A 44 SER H . 11488 1 493 . 1 1 44 44 SER HA H 1 4.417 0.030 . 1 . . . A 44 SER HA . 11488 1 494 . 1 1 44 44 SER HB2 H 1 4.101 0.030 . 2 . . . A 44 SER HB2 . 11488 1 495 . 1 1 44 44 SER HB3 H 1 3.937 0.030 . 2 . . . A 44 SER HB3 . 11488 1 496 . 1 1 44 44 SER C C 13 174.110 0.300 . 1 . . . A 44 SER C . 11488 1 497 . 1 1 44 44 SER CA C 13 59.583 0.300 . 1 . . . A 44 SER CA . 11488 1 498 . 1 1 44 44 SER CB C 13 63.813 0.300 . 1 . . . A 44 SER CB . 11488 1 499 . 1 1 44 44 SER N N 15 110.964 0.300 . 1 . . . A 44 SER N . 11488 1 500 . 1 1 45 45 TYR H H 1 9.014 0.030 . 1 . . . A 45 TYR H . 11488 1 501 . 1 1 45 45 TYR HA H 1 3.960 0.030 . 1 . . . A 45 TYR HA . 11488 1 502 . 1 1 45 45 TYR HB2 H 1 2.635 0.030 . 2 . . . A 45 TYR HB2 . 11488 1 503 . 1 1 45 45 TYR HB3 H 1 2.026 0.030 . 2 . . . A 45 TYR HB3 . 11488 1 504 . 1 1 45 45 TYR HD1 H 1 6.543 0.030 . 1 . . . A 45 TYR HD1 . 11488 1 505 . 1 1 45 45 TYR HD2 H 1 6.543 0.030 . 1 . . . A 45 TYR HD2 . 11488 1 506 . 1 1 45 45 TYR HE1 H 1 6.453 0.030 . 1 . . . A 45 TYR HE1 . 11488 1 507 . 1 1 45 45 TYR HE2 H 1 6.453 0.030 . 1 . . . A 45 TYR HE2 . 11488 1 508 . 1 1 45 45 TYR C C 13 173.205 0.300 . 1 . . . A 45 TYR C . 11488 1 509 . 1 1 45 45 TYR CA C 13 60.888 0.300 . 1 . . . A 45 TYR CA . 11488 1 510 . 1 1 45 45 TYR CB C 13 39.570 0.300 . 1 . . . A 45 TYR CB . 11488 1 511 . 1 1 45 45 TYR CD1 C 13 132.548 0.300 . 1 . . . A 45 TYR CD1 . 11488 1 512 . 1 1 45 45 TYR CD2 C 13 132.548 0.300 . 1 . . . A 45 TYR CD2 . 11488 1 513 . 1 1 45 45 TYR CE1 C 13 117.101 0.300 . 1 . . . A 45 TYR CE1 . 11488 1 514 . 1 1 45 45 TYR CE2 C 13 117.101 0.300 . 1 . . . A 45 TYR CE2 . 11488 1 515 . 1 1 45 45 TYR N N 15 128.049 0.300 . 1 . . . A 45 TYR N . 11488 1 516 . 1 1 46 46 ALA H H 1 6.894 0.030 . 1 . . . A 46 ALA H . 11488 1 517 . 1 1 46 46 ALA HA H 1 4.888 0.030 . 1 . . . A 46 ALA HA . 11488 1 518 . 1 1 46 46 ALA HB1 H 1 1.161 0.030 . 1 . . . A 46 ALA HB1 . 11488 1 519 . 1 1 46 46 ALA HB2 H 1 1.161 0.030 . 1 . . . A 46 ALA HB2 . 11488 1 520 . 1 1 46 46 ALA HB3 H 1 1.161 0.030 . 1 . . . A 46 ALA HB3 . 11488 1 521 . 1 1 46 46 ALA C C 13 174.972 0.300 . 1 . . . A 46 ALA C . 11488 1 522 . 1 1 46 46 ALA CA C 13 50.577 0.300 . 1 . . . A 46 ALA CA . 11488 1 523 . 1 1 46 46 ALA CB C 13 23.083 0.300 . 1 . . . A 46 ALA CB . 11488 1 524 . 1 1 46 46 ALA N N 15 128.047 0.300 . 1 . . . A 46 ALA N . 11488 1 525 . 1 1 47 47 SER H H 1 8.676 0.030 . 1 . . . A 47 SER H . 11488 1 526 . 1 1 47 47 SER HA H 1 4.507 0.030 . 1 . . . A 47 SER HA . 11488 1 527 . 1 1 47 47 SER HB2 H 1 3.987 0.030 . 2 . . . A 47 SER HB2 . 11488 1 528 . 1 1 47 47 SER HB3 H 1 3.424 0.030 . 2 . . . A 47 SER HB3 . 11488 1 529 . 1 1 47 47 SER C C 13 173.330 0.300 . 1 . . . A 47 SER C . 11488 1 530 . 1 1 47 47 SER CA C 13 56.436 0.300 . 1 . . . A 47 SER CA . 11488 1 531 . 1 1 47 47 SER CB C 13 65.315 0.300 . 1 . . . A 47 SER CB . 11488 1 532 . 1 1 47 47 SER N N 15 111.597 0.300 . 1 . . . A 47 SER N . 11488 1 533 . 1 1 48 48 ALA H H 1 8.907 0.030 . 1 . . . A 48 ALA H . 11488 1 534 . 1 1 48 48 ALA HA H 1 4.648 0.030 . 1 . . . A 48 ALA HA . 11488 1 535 . 1 1 48 48 ALA HB1 H 1 1.607 0.030 . 1 . . . A 48 ALA HB1 . 11488 1 536 . 1 1 48 48 ALA HB2 H 1 1.607 0.030 . 1 . . . A 48 ALA HB2 . 11488 1 537 . 1 1 48 48 ALA HB3 H 1 1.607 0.030 . 1 . . . A 48 ALA HB3 . 11488 1 538 . 1 1 48 48 ALA C C 13 176.780 0.300 . 1 . . . A 48 ALA C . 11488 1 539 . 1 1 48 48 ALA CA C 13 53.247 0.300 . 1 . . . A 48 ALA CA . 11488 1 540 . 1 1 48 48 ALA CB C 13 19.709 0.300 . 1 . . . A 48 ALA CB . 11488 1 541 . 1 1 48 48 ALA N N 15 126.637 0.300 . 1 . . . A 48 ALA N . 11488 1 542 . 1 1 49 49 ILE H H 1 8.534 0.030 . 1 . . . A 49 ILE H . 11488 1 543 . 1 1 49 49 ILE HA H 1 4.469 0.030 . 1 . . . A 49 ILE HA . 11488 1 544 . 1 1 49 49 ILE HB H 1 1.907 0.030 . 1 . . . A 49 ILE HB . 11488 1 545 . 1 1 49 49 ILE HG12 H 1 1.465 0.030 . 2 . . . A 49 ILE HG12 . 11488 1 546 . 1 1 49 49 ILE HG13 H 1 1.187 0.030 . 2 . . . A 49 ILE HG13 . 11488 1 547 . 1 1 49 49 ILE HG21 H 1 0.969 0.030 . 1 . . . A 49 ILE HG21 . 11488 1 548 . 1 1 49 49 ILE HG22 H 1 0.969 0.030 . 1 . . . A 49 ILE HG22 . 11488 1 549 . 1 1 49 49 ILE HG23 H 1 0.969 0.030 . 1 . . . A 49 ILE HG23 . 11488 1 550 . 1 1 49 49 ILE HD11 H 1 0.876 0.030 . 1 . . . A 49 ILE HD11 . 11488 1 551 . 1 1 49 49 ILE HD12 H 1 0.876 0.030 . 1 . . . A 49 ILE HD12 . 11488 1 552 . 1 1 49 49 ILE HD13 H 1 0.876 0.030 . 1 . . . A 49 ILE HD13 . 11488 1 553 . 1 1 49 49 ILE C C 13 176.613 0.300 . 1 . . . A 49 ILE C . 11488 1 554 . 1 1 49 49 ILE CA C 13 59.500 0.300 . 1 . . . A 49 ILE CA . 11488 1 555 . 1 1 49 49 ILE CB C 13 39.722 0.300 . 1 . . . A 49 ILE CB . 11488 1 556 . 1 1 49 49 ILE CG1 C 13 27.027 0.300 . 1 . . . A 49 ILE CG1 . 11488 1 557 . 1 1 49 49 ILE CG2 C 13 18.128 0.300 . 1 . . . A 49 ILE CG2 . 11488 1 558 . 1 1 49 49 ILE CD1 C 13 12.574 0.300 . 1 . . . A 49 ILE CD1 . 11488 1 559 . 1 1 49 49 ILE N N 15 118.095 0.300 . 1 . . . A 49 ILE N . 11488 1 560 . 1 1 50 50 LYS H H 1 7.230 0.030 . 1 . . . A 50 LYS H . 11488 1 561 . 1 1 50 50 LYS HA H 1 2.997 0.030 . 1 . . . A 50 LYS HA . 11488 1 562 . 1 1 50 50 LYS HB2 H 1 1.434 0.030 . 2 . . . A 50 LYS HB2 . 11488 1 563 . 1 1 50 50 LYS HB3 H 1 0.819 0.030 . 2 . . . A 50 LYS HB3 . 11488 1 564 . 1 1 50 50 LYS HG2 H 1 1.113 0.030 . 2 . . . A 50 LYS HG2 . 11488 1 565 . 1 1 50 50 LYS HG3 H 1 0.884 0.030 . 2 . . . A 50 LYS HG3 . 11488 1 566 . 1 1 50 50 LYS HD2 H 1 1.504 0.030 . 2 . . . A 50 LYS HD2 . 11488 1 567 . 1 1 50 50 LYS HD3 H 1 1.432 0.030 . 2 . . . A 50 LYS HD3 . 11488 1 568 . 1 1 50 50 LYS HE2 H 1 2.898 0.030 . 1 . . . A 50 LYS HE2 . 11488 1 569 . 1 1 50 50 LYS HE3 H 1 2.898 0.030 . 1 . . . A 50 LYS HE3 . 11488 1 570 . 1 1 50 50 LYS C C 13 178.518 0.300 . 1 . . . A 50 LYS C . 11488 1 571 . 1 1 50 50 LYS CA C 13 60.454 0.300 . 1 . . . A 50 LYS CA . 11488 1 572 . 1 1 50 50 LYS CB C 13 31.420 0.300 . 1 . . . A 50 LYS CB . 11488 1 573 . 1 1 50 50 LYS CG C 13 24.763 0.300 . 1 . . . A 50 LYS CG . 11488 1 574 . 1 1 50 50 LYS CD C 13 29.125 0.300 . 1 . . . A 50 LYS CD . 11488 1 575 . 1 1 50 50 LYS CE C 13 42.032 0.300 . 1 . . . A 50 LYS CE . 11488 1 576 . 1 1 50 50 LYS N N 15 110.944 0.300 . 1 . . . A 50 LYS N . 11488 1 577 . 1 1 51 51 ALA H H 1 8.675 0.030 . 1 . . . A 51 ALA H . 11488 1 578 . 1 1 51 51 ALA HA H 1 4.070 0.030 . 1 . . . A 51 ALA HA . 11488 1 579 . 1 1 51 51 ALA HB1 H 1 1.383 0.030 . 1 . . . A 51 ALA HB1 . 11488 1 580 . 1 1 51 51 ALA HB2 H 1 1.383 0.030 . 1 . . . A 51 ALA HB2 . 11488 1 581 . 1 1 51 51 ALA HB3 H 1 1.383 0.030 . 1 . . . A 51 ALA HB3 . 11488 1 582 . 1 1 51 51 ALA C C 13 179.709 0.300 . 1 . . . A 51 ALA C . 11488 1 583 . 1 1 51 51 ALA CA C 13 55.147 0.300 . 1 . . . A 51 ALA CA . 11488 1 584 . 1 1 51 51 ALA CB C 13 18.377 0.300 . 1 . . . A 51 ALA CB . 11488 1 585 . 1 1 51 51 ALA N N 15 119.152 0.300 . 1 . . . A 51 ALA N . 11488 1 586 . 1 1 52 52 ASN H H 1 7.070 0.030 . 1 . . . A 52 ASN H . 11488 1 587 . 1 1 52 52 ASN HA H 1 4.519 0.030 . 1 . . . A 52 ASN HA . 11488 1 588 . 1 1 52 52 ASN HB2 H 1 3.303 0.030 . 2 . . . A 52 ASN HB2 . 11488 1 589 . 1 1 52 52 ASN HB3 H 1 3.167 0.030 . 2 . . . A 52 ASN HB3 . 11488 1 590 . 1 1 52 52 ASN HD21 H 1 6.905 0.030 . 2 . . . A 52 ASN HD21 . 11488 1 591 . 1 1 52 52 ASN HD22 H 1 7.437 0.030 . 2 . . . A 52 ASN HD22 . 11488 1 592 . 1 1 52 52 ASN C C 13 178.902 0.300 . 1 . . . A 52 ASN C . 11488 1 593 . 1 1 52 52 ASN CA C 13 55.179 0.300 . 1 . . . A 52 ASN CA . 11488 1 594 . 1 1 52 52 ASN CB C 13 36.880 0.300 . 1 . . . A 52 ASN CB . 11488 1 595 . 1 1 52 52 ASN N N 15 114.734 0.300 . 1 . . . A 52 ASN N . 11488 1 596 . 1 1 52 52 ASN ND2 N 15 111.848 0.300 . 1 . . . A 52 ASN ND2 . 11488 1 597 . 1 1 53 53 LEU H H 1 7.489 0.030 . 1 . . . A 53 LEU H . 11488 1 598 . 1 1 53 53 LEU HA H 1 4.396 0.030 . 1 . . . A 53 LEU HA . 11488 1 599 . 1 1 53 53 LEU HB2 H 1 2.216 0.030 . 2 . . . A 53 LEU HB2 . 11488 1 600 . 1 1 53 53 LEU HB3 H 1 1.543 0.030 . 2 . . . A 53 LEU HB3 . 11488 1 601 . 1 1 53 53 LEU HG H 1 1.779 0.030 . 1 . . . A 53 LEU HG . 11488 1 602 . 1 1 53 53 LEU HD11 H 1 1.023 0.030 . 1 . . . A 53 LEU HD11 . 11488 1 603 . 1 1 53 53 LEU HD12 H 1 1.023 0.030 . 1 . . . A 53 LEU HD12 . 11488 1 604 . 1 1 53 53 LEU HD13 H 1 1.023 0.030 . 1 . . . A 53 LEU HD13 . 11488 1 605 . 1 1 53 53 LEU HD21 H 1 1.071 0.030 . 1 . . . A 53 LEU HD21 . 11488 1 606 . 1 1 53 53 LEU HD22 H 1 1.071 0.030 . 1 . . . A 53 LEU HD22 . 11488 1 607 . 1 1 53 53 LEU HD23 H 1 1.071 0.030 . 1 . . . A 53 LEU HD23 . 11488 1 608 . 1 1 53 53 LEU C C 13 177.601 0.300 . 1 . . . A 53 LEU C . 11488 1 609 . 1 1 53 53 LEU CA C 13 57.956 0.300 . 1 . . . A 53 LEU CA . 11488 1 610 . 1 1 53 53 LEU CB C 13 40.229 0.300 . 1 . . . A 53 LEU CB . 11488 1 611 . 1 1 53 53 LEU CG C 13 27.411 0.300 . 1 . . . A 53 LEU CG . 11488 1 612 . 1 1 53 53 LEU CD1 C 13 25.824 0.300 . 2 . . . A 53 LEU CD1 . 11488 1 613 . 1 1 53 53 LEU CD2 C 13 22.995 0.300 . 2 . . . A 53 LEU CD2 . 11488 1 614 . 1 1 53 53 LEU N N 15 122.848 0.300 . 1 . . . A 53 LEU N . 11488 1 615 . 1 1 54 54 ASN H H 1 8.075 0.030 . 1 . . . A 54 ASN H . 11488 1 616 . 1 1 54 54 ASN HA H 1 4.398 0.030 . 1 . . . A 54 ASN HA . 11488 1 617 . 1 1 54 54 ASN HB2 H 1 2.899 0.030 . 2 . . . A 54 ASN HB2 . 11488 1 618 . 1 1 54 54 ASN HB3 H 1 2.805 0.030 . 2 . . . A 54 ASN HB3 . 11488 1 619 . 1 1 54 54 ASN HD21 H 1 6.754 0.030 . 2 . . . A 54 ASN HD21 . 11488 1 620 . 1 1 54 54 ASN HD22 H 1 7.577 0.030 . 2 . . . A 54 ASN HD22 . 11488 1 621 . 1 1 54 54 ASN C C 13 178.004 0.300 . 1 . . . A 54 ASN C . 11488 1 622 . 1 1 54 54 ASN CA C 13 56.661 0.300 . 1 . . . A 54 ASN CA . 11488 1 623 . 1 1 54 54 ASN CB C 13 37.553 0.300 . 1 . . . A 54 ASN CB . 11488 1 624 . 1 1 54 54 ASN N N 15 117.489 0.300 . 1 . . . A 54 ASN N . 11488 1 625 . 1 1 54 54 ASN ND2 N 15 110.780 0.300 . 1 . . . A 54 ASN ND2 . 11488 1 626 . 1 1 55 55 VAL H H 1 7.467 0.030 . 1 . . . A 55 VAL H . 11488 1 627 . 1 1 55 55 VAL HA H 1 3.607 0.030 . 1 . . . A 55 VAL HA . 11488 1 628 . 1 1 55 55 VAL HB H 1 2.076 0.030 . 1 . . . A 55 VAL HB . 11488 1 629 . 1 1 55 55 VAL HG11 H 1 1.099 0.030 . 1 . . . A 55 VAL HG11 . 11488 1 630 . 1 1 55 55 VAL HG12 H 1 1.099 0.030 . 1 . . . A 55 VAL HG12 . 11488 1 631 . 1 1 55 55 VAL HG13 H 1 1.099 0.030 . 1 . . . A 55 VAL HG13 . 11488 1 632 . 1 1 55 55 VAL HG21 H 1 0.926 0.030 . 1 . . . A 55 VAL HG21 . 11488 1 633 . 1 1 55 55 VAL HG22 H 1 0.926 0.030 . 1 . . . A 55 VAL HG22 . 11488 1 634 . 1 1 55 55 VAL HG23 H 1 0.926 0.030 . 1 . . . A 55 VAL HG23 . 11488 1 635 . 1 1 55 55 VAL C C 13 178.360 0.300 . 1 . . . A 55 VAL C . 11488 1 636 . 1 1 55 55 VAL CA C 13 66.400 0.300 . 1 . . . A 55 VAL CA . 11488 1 637 . 1 1 55 55 VAL CB C 13 32.203 0.300 . 1 . . . A 55 VAL CB . 11488 1 638 . 1 1 55 55 VAL CG1 C 13 22.581 0.300 . 2 . . . A 55 VAL CG1 . 11488 1 639 . 1 1 55 55 VAL CG2 C 13 21.244 0.300 . 2 . . . A 55 VAL CG2 . 11488 1 640 . 1 1 55 55 VAL N N 15 118.710 0.300 . 1 . . . A 55 VAL N . 11488 1 641 . 1 1 56 56 HIS H H 1 7.795 0.030 . 1 . . . A 56 HIS H . 11488 1 642 . 1 1 56 56 HIS HA H 1 3.819 0.030 . 1 . . . A 56 HIS HA . 11488 1 643 . 1 1 56 56 HIS HB2 H 1 3.233 0.030 . 2 . . . A 56 HIS HB2 . 11488 1 644 . 1 1 56 56 HIS HB3 H 1 2.466 0.030 . 2 . . . A 56 HIS HB3 . 11488 1 645 . 1 1 56 56 HIS HD2 H 1 6.841 0.030 . 1 . . . A 56 HIS HD2 . 11488 1 646 . 1 1 56 56 HIS HE1 H 1 7.559 0.030 . 1 . . . A 56 HIS HE1 . 11488 1 647 . 1 1 56 56 HIS C C 13 176.622 0.300 . 1 . . . A 56 HIS C . 11488 1 648 . 1 1 56 56 HIS CA C 13 60.129 0.300 . 1 . . . A 56 HIS CA . 11488 1 649 . 1 1 56 56 HIS CB C 13 27.775 0.300 . 1 . . . A 56 HIS CB . 11488 1 650 . 1 1 56 56 HIS CD2 C 13 126.435 0.300 . 1 . . . A 56 HIS CD2 . 11488 1 651 . 1 1 56 56 HIS CE1 C 13 138.431 0.300 . 1 . . . A 56 HIS CE1 . 11488 1 652 . 1 1 56 56 HIS N N 15 121.284 0.300 . 1 . . . A 56 HIS N . 11488 1 653 . 1 1 57 57 LEU H H 1 8.560 0.030 . 1 . . . A 57 LEU H . 11488 1 654 . 1 1 57 57 LEU HA H 1 3.831 0.030 . 1 . . . A 57 LEU HA . 11488 1 655 . 1 1 57 57 LEU HB2 H 1 1.921 0.030 . 2 . . . A 57 LEU HB2 . 11488 1 656 . 1 1 57 57 LEU HB3 H 1 1.623 0.030 . 2 . . . A 57 LEU HB3 . 11488 1 657 . 1 1 57 57 LEU HG H 1 2.063 0.030 . 1 . . . A 57 LEU HG . 11488 1 658 . 1 1 57 57 LEU HD11 H 1 1.066 0.030 . 1 . . . A 57 LEU HD11 . 11488 1 659 . 1 1 57 57 LEU HD12 H 1 1.066 0.030 . 1 . . . A 57 LEU HD12 . 11488 1 660 . 1 1 57 57 LEU HD13 H 1 1.066 0.030 . 1 . . . A 57 LEU HD13 . 11488 1 661 . 1 1 57 57 LEU HD21 H 1 1.229 0.030 . 1 . . . A 57 LEU HD21 . 11488 1 662 . 1 1 57 57 LEU HD22 H 1 1.229 0.030 . 1 . . . A 57 LEU HD22 . 11488 1 663 . 1 1 57 57 LEU HD23 H 1 1.229 0.030 . 1 . . . A 57 LEU HD23 . 11488 1 664 . 1 1 57 57 LEU C C 13 179.363 0.300 . 1 . . . A 57 LEU C . 11488 1 665 . 1 1 57 57 LEU CA C 13 58.164 0.300 . 1 . . . A 57 LEU CA . 11488 1 666 . 1 1 57 57 LEU CB C 13 42.330 0.300 . 1 . . . A 57 LEU CB . 11488 1 667 . 1 1 57 57 LEU CG C 13 27.276 0.300 . 1 . . . A 57 LEU CG . 11488 1 668 . 1 1 57 57 LEU CD1 C 13 25.562 0.300 . 2 . . . A 57 LEU CD1 . 11488 1 669 . 1 1 57 57 LEU CD2 C 13 24.763 0.300 . 2 . . . A 57 LEU CD2 . 11488 1 670 . 1 1 57 57 LEU N N 15 116.684 0.300 . 1 . . . A 57 LEU N . 11488 1 671 . 1 1 58 58 ARG H H 1 7.224 0.030 . 1 . . . A 58 ARG H . 11488 1 672 . 1 1 58 58 ARG HA H 1 4.080 0.030 . 1 . . . A 58 ARG HA . 11488 1 673 . 1 1 58 58 ARG HB2 H 1 1.914 0.030 . 2 . . . A 58 ARG HB2 . 11488 1 674 . 1 1 58 58 ARG HB3 H 1 1.796 0.030 . 2 . . . A 58 ARG HB3 . 11488 1 675 . 1 1 58 58 ARG HG2 H 1 1.855 0.030 . 2 . . . A 58 ARG HG2 . 11488 1 676 . 1 1 58 58 ARG HG3 H 1 1.674 0.030 . 2 . . . A 58 ARG HG3 . 11488 1 677 . 1 1 58 58 ARG HD2 H 1 3.192 0.030 . 1 . . . A 58 ARG HD2 . 11488 1 678 . 1 1 58 58 ARG HD3 H 1 3.192 0.030 . 1 . . . A 58 ARG HD3 . 11488 1 679 . 1 1 58 58 ARG C C 13 178.289 0.300 . 1 . . . A 58 ARG C . 11488 1 680 . 1 1 58 58 ARG CA C 13 58.247 0.300 . 1 . . . A 58 ARG CA . 11488 1 681 . 1 1 58 58 ARG CB C 13 29.870 0.300 . 1 . . . A 58 ARG CB . 11488 1 682 . 1 1 58 58 ARG CG C 13 27.578 0.300 . 1 . . . A 58 ARG CG . 11488 1 683 . 1 1 58 58 ARG CD C 13 43.685 0.300 . 1 . . . A 58 ARG CD . 11488 1 684 . 1 1 58 58 ARG N N 15 117.004 0.300 . 1 . . . A 58 ARG N . 11488 1 685 . 1 1 59 59 LYS H H 1 7.873 0.030 . 1 . . . A 59 LYS H . 11488 1 686 . 1 1 59 59 LYS HA H 1 3.949 0.030 . 1 . . . A 59 LYS HA . 11488 1 687 . 1 1 59 59 LYS HB2 H 1 1.355 0.030 . 1 . . . A 59 LYS HB2 . 11488 1 688 . 1 1 59 59 LYS HB3 H 1 1.355 0.030 . 1 . . . A 59 LYS HB3 . 11488 1 689 . 1 1 59 59 LYS HG2 H 1 1.140 0.030 . 1 . . . A 59 LYS HG2 . 11488 1 690 . 1 1 59 59 LYS HG3 H 1 1.140 0.030 . 1 . . . A 59 LYS HG3 . 11488 1 691 . 1 1 59 59 LYS HD2 H 1 1.380 0.030 . 1 . . . A 59 LYS HD2 . 11488 1 692 . 1 1 59 59 LYS HD3 H 1 1.380 0.030 . 1 . . . A 59 LYS HD3 . 11488 1 693 . 1 1 59 59 LYS HE2 H 1 2.839 0.030 . 1 . . . A 59 LYS HE2 . 11488 1 694 . 1 1 59 59 LYS HE3 H 1 2.839 0.030 . 1 . . . A 59 LYS HE3 . 11488 1 695 . 1 1 59 59 LYS C C 13 177.807 0.300 . 1 . . . A 59 LYS C . 11488 1 696 . 1 1 59 59 LYS CA C 13 57.737 0.300 . 1 . . . A 59 LYS CA . 11488 1 697 . 1 1 59 59 LYS CB C 13 31.536 0.300 . 1 . . . A 59 LYS CB . 11488 1 698 . 1 1 59 59 LYS CG C 13 24.697 0.300 . 1 . . . A 59 LYS CG . 11488 1 699 . 1 1 59 59 LYS CD C 13 29.133 0.300 . 1 . . . A 59 LYS CD . 11488 1 700 . 1 1 59 59 LYS CE C 13 41.968 0.300 . 1 . . . A 59 LYS CE . 11488 1 701 . 1 1 59 59 LYS N N 15 117.778 0.300 . 1 . . . A 59 LYS N . 11488 1 702 . 1 1 60 60 HIS H H 1 7.249 0.030 . 1 . . . A 60 HIS H . 11488 1 703 . 1 1 60 60 HIS HA H 1 4.753 0.030 . 1 . . . A 60 HIS HA . 11488 1 704 . 1 1 60 60 HIS HB2 H 1 3.263 0.030 . 2 . . . A 60 HIS HB2 . 11488 1 705 . 1 1 60 60 HIS HB3 H 1 3.091 0.030 . 2 . . . A 60 HIS HB3 . 11488 1 706 . 1 1 60 60 HIS HD2 H 1 6.613 0.030 . 1 . . . A 60 HIS HD2 . 11488 1 707 . 1 1 60 60 HIS HE1 H 1 7.939 0.030 . 1 . . . A 60 HIS HE1 . 11488 1 708 . 1 1 60 60 HIS C C 13 175.572 0.300 . 1 . . . A 60 HIS C . 11488 1 709 . 1 1 60 60 HIS CA C 13 55.519 0.300 . 1 . . . A 60 HIS CA . 11488 1 710 . 1 1 60 60 HIS CB C 13 28.728 0.300 . 1 . . . A 60 HIS CB . 11488 1 711 . 1 1 60 60 HIS CD2 C 13 127.304 0.300 . 1 . . . A 60 HIS CD2 . 11488 1 712 . 1 1 60 60 HIS CE1 C 13 139.601 0.300 . 1 . . . A 60 HIS CE1 . 11488 1 713 . 1 1 60 60 HIS N N 15 115.408 0.300 . 1 . . . A 60 HIS N . 11488 1 714 . 1 1 61 61 THR H H 1 7.794 0.030 . 1 . . . A 61 THR H . 11488 1 715 . 1 1 61 61 THR HA H 1 4.309 0.030 . 1 . . . A 61 THR HA . 11488 1 716 . 1 1 61 61 THR HB H 1 4.261 0.030 . 1 . . . A 61 THR HB . 11488 1 717 . 1 1 61 61 THR HG21 H 1 1.221 0.030 . 1 . . . A 61 THR HG21 . 11488 1 718 . 1 1 61 61 THR HG22 H 1 1.221 0.030 . 1 . . . A 61 THR HG22 . 11488 1 719 . 1 1 61 61 THR HG23 H 1 1.221 0.030 . 1 . . . A 61 THR HG23 . 11488 1 720 . 1 1 61 61 THR C C 13 175.192 0.300 . 1 . . . A 61 THR C . 11488 1 721 . 1 1 61 61 THR CA C 13 62.647 0.300 . 1 . . . A 61 THR CA . 11488 1 722 . 1 1 61 61 THR CB C 13 69.710 0.300 . 1 . . . A 61 THR CB . 11488 1 723 . 1 1 61 61 THR CG2 C 13 21.583 0.300 . 1 . . . A 61 THR CG2 . 11488 1 724 . 1 1 61 61 THR N N 15 113.477 0.300 . 1 . . . A 61 THR N . 11488 1 725 . 1 1 62 62 GLY H H 1 8.361 0.030 . 1 . . . A 62 GLY H . 11488 1 726 . 1 1 62 62 GLY HA2 H 1 3.926 0.030 . 1 . . . A 62 GLY HA2 . 11488 1 727 . 1 1 62 62 GLY HA3 H 1 3.926 0.030 . 1 . . . A 62 GLY HA3 . 11488 1 728 . 1 1 62 62 GLY C C 13 173.748 0.300 . 1 . . . A 62 GLY C . 11488 1 729 . 1 1 62 62 GLY CA C 13 45.291 0.300 . 1 . . . A 62 GLY CA . 11488 1 730 . 1 1 62 62 GLY N N 15 111.366 0.300 . 1 . . . A 62 GLY N . 11488 1 731 . 1 1 63 63 GLU H H 1 8.039 0.030 . 1 . . . A 63 GLU H . 11488 1 732 . 1 1 63 63 GLU HA H 1 4.096 0.030 . 1 . . . A 63 GLU HA . 11488 1 733 . 1 1 63 63 GLU HB2 H 1 1.826 0.030 . 1 . . . A 63 GLU HB2 . 11488 1 734 . 1 1 63 63 GLU HB3 H 1 1.826 0.030 . 1 . . . A 63 GLU HB3 . 11488 1 735 . 1 1 63 63 GLU HG2 H 1 2.107 0.030 . 2 . . . A 63 GLU HG2 . 11488 1 736 . 1 1 63 63 GLU HG3 H 1 1.957 0.030 . 2 . . . A 63 GLU HG3 . 11488 1 737 . 1 1 63 63 GLU C C 13 175.125 0.300 . 1 . . . A 63 GLU C . 11488 1 738 . 1 1 63 63 GLU CA C 13 56.473 0.300 . 1 . . . A 63 GLU CA . 11488 1 739 . 1 1 63 63 GLU CB C 13 30.451 0.300 . 1 . . . A 63 GLU CB . 11488 1 740 . 1 1 63 63 GLU CG C 13 36.233 0.300 . 1 . . . A 63 GLU CG . 11488 1 741 . 1 1 63 63 GLU N N 15 121.136 0.300 . 1 . . . A 63 GLU N . 11488 1 742 . 1 1 64 64 LYS H H 1 7.857 0.030 . 1 . . . A 64 LYS H . 11488 1 743 . 1 1 64 64 LYS HA H 1 4.381 0.030 . 1 . . . A 64 LYS HA . 11488 1 744 . 1 1 64 64 LYS HB2 H 1 1.570 0.030 . 1 . . . A 64 LYS HB2 . 11488 1 745 . 1 1 64 64 LYS HB3 H 1 1.570 0.030 . 1 . . . A 64 LYS HB3 . 11488 1 746 . 1 1 64 64 LYS HG2 H 1 1.292 0.030 . 2 . . . A 64 LYS HG2 . 11488 1 747 . 1 1 64 64 LYS HG3 H 1 1.157 0.030 . 2 . . . A 64 LYS HG3 . 11488 1 748 . 1 1 64 64 LYS HD2 H 1 1.515 0.030 . 1 . . . A 64 LYS HD2 . 11488 1 749 . 1 1 64 64 LYS HD3 H 1 1.515 0.030 . 1 . . . A 64 LYS HD3 . 11488 1 750 . 1 1 64 64 LYS HE2 H 1 2.858 0.030 . 1 . . . A 64 LYS HE2 . 11488 1 751 . 1 1 64 64 LYS HE3 H 1 2.858 0.030 . 1 . . . A 64 LYS HE3 . 11488 1 752 . 1 1 64 64 LYS C C 13 175.297 0.300 . 1 . . . A 64 LYS C . 11488 1 753 . 1 1 64 64 LYS CA C 13 55.509 0.300 . 1 . . . A 64 LYS CA . 11488 1 754 . 1 1 64 64 LYS CB C 13 34.260 0.300 . 1 . . . A 64 LYS CB . 11488 1 755 . 1 1 64 64 LYS CG C 13 24.749 0.300 . 1 . . . A 64 LYS CG . 11488 1 756 . 1 1 64 64 LYS CD C 13 29.115 0.300 . 1 . . . A 64 LYS CD . 11488 1 757 . 1 1 64 64 LYS CE C 13 42.015 0.300 . 1 . . . A 64 LYS CE . 11488 1 758 . 1 1 64 64 LYS N N 15 120.474 0.300 . 1 . . . A 64 LYS N . 11488 1 759 . 1 1 65 65 PHE H H 1 8.551 0.030 . 1 . . . A 65 PHE H . 11488 1 760 . 1 1 65 65 PHE HA H 1 4.520 0.030 . 1 . . . A 65 PHE HA . 11488 1 761 . 1 1 65 65 PHE HB2 H 1 2.861 0.030 . 2 . . . A 65 PHE HB2 . 11488 1 762 . 1 1 65 65 PHE HB3 H 1 2.824 0.030 . 2 . . . A 65 PHE HB3 . 11488 1 763 . 1 1 65 65 PHE HD1 H 1 7.053 0.030 . 1 . . . A 65 PHE HD1 . 11488 1 764 . 1 1 65 65 PHE HD2 H 1 7.053 0.030 . 1 . . . A 65 PHE HD2 . 11488 1 765 . 1 1 65 65 PHE HE1 H 1 7.283 0.030 . 1 . . . A 65 PHE HE1 . 11488 1 766 . 1 1 65 65 PHE HE2 H 1 7.283 0.030 . 1 . . . A 65 PHE HE2 . 11488 1 767 . 1 1 65 65 PHE HZ H 1 7.292 0.030 . 1 . . . A 65 PHE HZ . 11488 1 768 . 1 1 65 65 PHE C C 13 173.796 0.300 . 1 . . . A 65 PHE C . 11488 1 769 . 1 1 65 65 PHE CA C 13 57.675 0.300 . 1 . . . A 65 PHE CA . 11488 1 770 . 1 1 65 65 PHE CB C 13 40.541 0.300 . 1 . . . A 65 PHE CB . 11488 1 771 . 1 1 65 65 PHE CD1 C 13 131.469 0.300 . 1 . . . A 65 PHE CD1 . 11488 1 772 . 1 1 65 65 PHE CD2 C 13 131.469 0.300 . 1 . . . A 65 PHE CD2 . 11488 1 773 . 1 1 65 65 PHE CE1 C 13 131.473 0.300 . 1 . . . A 65 PHE CE1 . 11488 1 774 . 1 1 65 65 PHE CE2 C 13 131.473 0.300 . 1 . . . A 65 PHE CE2 . 11488 1 775 . 1 1 65 65 PHE CZ C 13 129.684 0.300 . 1 . . . A 65 PHE CZ . 11488 1 776 . 1 1 65 65 PHE N N 15 121.410 0.300 . 1 . . . A 65 PHE N . 11488 1 777 . 1 1 66 66 ALA H H 1 8.573 0.030 . 1 . . . A 66 ALA H . 11488 1 778 . 1 1 66 66 ALA HA H 1 4.888 0.030 . 1 . . . A 66 ALA HA . 11488 1 779 . 1 1 66 66 ALA HB1 H 1 1.356 0.030 . 1 . . . A 66 ALA HB1 . 11488 1 780 . 1 1 66 66 ALA HB2 H 1 1.356 0.030 . 1 . . . A 66 ALA HB2 . 11488 1 781 . 1 1 66 66 ALA HB3 H 1 1.356 0.030 . 1 . . . A 66 ALA HB3 . 11488 1 782 . 1 1 66 66 ALA C C 13 175.846 0.300 . 1 . . . A 66 ALA C . 11488 1 783 . 1 1 66 66 ALA CA C 13 50.675 0.300 . 1 . . . A 66 ALA CA . 11488 1 784 . 1 1 66 66 ALA CB C 13 21.464 0.300 . 1 . . . A 66 ALA CB . 11488 1 785 . 1 1 66 66 ALA N N 15 125.445 0.300 . 1 . . . A 66 ALA N . 11488 1 786 . 1 1 67 67 CYS H H 1 8.400 0.030 . 1 . . . A 67 CYS H . 11488 1 787 . 1 1 67 67 CYS HA H 1 4.261 0.030 . 1 . . . A 67 CYS HA . 11488 1 788 . 1 1 67 67 CYS HB2 H 1 3.458 0.030 . 2 . . . A 67 CYS HB2 . 11488 1 789 . 1 1 67 67 CYS HB3 H 1 2.804 0.030 . 2 . . . A 67 CYS HB3 . 11488 1 790 . 1 1 67 67 CYS C C 13 175.272 0.300 . 1 . . . A 67 CYS C . 11488 1 791 . 1 1 67 67 CYS CA C 13 60.601 0.300 . 1 . . . A 67 CYS CA . 11488 1 792 . 1 1 67 67 CYS CB C 13 30.502 0.300 . 1 . . . A 67 CYS CB . 11488 1 793 . 1 1 67 67 CYS N N 15 125.196 0.300 . 1 . . . A 67 CYS N . 11488 1 794 . 1 1 68 68 ASP H H 1 8.190 0.030 . 1 . . . A 68 ASP H . 11488 1 795 . 1 1 68 68 ASP HA H 1 4.423 0.030 . 1 . . . A 68 ASP HA . 11488 1 796 . 1 1 68 68 ASP HB2 H 1 2.185 0.030 . 2 . . . A 68 ASP HB2 . 11488 1 797 . 1 1 68 68 ASP HB3 H 1 1.579 0.030 . 2 . . . A 68 ASP HB3 . 11488 1 798 . 1 1 68 68 ASP C C 13 176.637 0.300 . 1 . . . A 68 ASP C . 11488 1 799 . 1 1 68 68 ASP CA C 13 56.059 0.300 . 1 . . . A 68 ASP CA . 11488 1 800 . 1 1 68 68 ASP CB C 13 41.191 0.300 . 1 . . . A 68 ASP CB . 11488 1 801 . 1 1 68 68 ASP N N 15 125.720 0.300 . 1 . . . A 68 ASP N . 11488 1 802 . 1 1 69 69 TYR H H 1 9.832 0.030 . 1 . . . A 69 TYR H . 11488 1 803 . 1 1 69 69 TYR HA H 1 4.518 0.030 . 1 . . . A 69 TYR HA . 11488 1 804 . 1 1 69 69 TYR HB2 H 1 2.650 0.030 . 2 . . . A 69 TYR HB2 . 11488 1 805 . 1 1 69 69 TYR HB3 H 1 1.322 0.030 . 2 . . . A 69 TYR HB3 . 11488 1 806 . 1 1 69 69 TYR HD1 H 1 6.924 0.030 . 1 . . . A 69 TYR HD1 . 11488 1 807 . 1 1 69 69 TYR HD2 H 1 6.924 0.030 . 1 . . . A 69 TYR HD2 . 11488 1 808 . 1 1 69 69 TYR HE1 H 1 6.814 0.030 . 1 . . . A 69 TYR HE1 . 11488 1 809 . 1 1 69 69 TYR HE2 H 1 6.814 0.030 . 1 . . . A 69 TYR HE2 . 11488 1 810 . 1 1 69 69 TYR C C 13 174.928 0.300 . 1 . . . A 69 TYR C . 11488 1 811 . 1 1 69 69 TYR CA C 13 57.797 0.300 . 1 . . . A 69 TYR CA . 11488 1 812 . 1 1 69 69 TYR CB C 13 38.227 0.300 . 1 . . . A 69 TYR CB . 11488 1 813 . 1 1 69 69 TYR CD1 C 13 132.921 0.300 . 1 . . . A 69 TYR CD1 . 11488 1 814 . 1 1 69 69 TYR CD2 C 13 132.921 0.300 . 1 . . . A 69 TYR CD2 . 11488 1 815 . 1 1 69 69 TYR CE1 C 13 118.173 0.300 . 1 . . . A 69 TYR CE1 . 11488 1 816 . 1 1 69 69 TYR CE2 C 13 118.173 0.300 . 1 . . . A 69 TYR CE2 . 11488 1 817 . 1 1 69 69 TYR N N 15 120.669 0.300 . 1 . . . A 69 TYR N . 11488 1 818 . 1 1 70 70 CYS H H 1 7.997 0.030 . 1 . . . A 70 CYS H . 11488 1 819 . 1 1 70 70 CYS HA H 1 5.020 0.030 . 1 . . . A 70 CYS HA . 11488 1 820 . 1 1 70 70 CYS HB2 H 1 3.487 0.030 . 2 . . . A 70 CYS HB2 . 11488 1 821 . 1 1 70 70 CYS HB3 H 1 3.360 0.030 . 2 . . . A 70 CYS HB3 . 11488 1 822 . 1 1 70 70 CYS C C 13 173.292 0.300 . 1 . . . A 70 CYS C . 11488 1 823 . 1 1 70 70 CYS CA C 13 58.673 0.300 . 1 . . . A 70 CYS CA . 11488 1 824 . 1 1 70 70 CYS CB C 13 30.135 0.300 . 1 . . . A 70 CYS CB . 11488 1 825 . 1 1 70 70 CYS N N 15 119.762 0.300 . 1 . . . A 70 CYS N . 11488 1 826 . 1 1 71 71 SER H H 1 8.137 0.030 . 1 . . . A 71 SER H . 11488 1 827 . 1 1 71 71 SER HA H 1 4.552 0.030 . 1 . . . A 71 SER HA . 11488 1 828 . 1 1 71 71 SER HB2 H 1 4.151 0.030 . 2 . . . A 71 SER HB2 . 11488 1 829 . 1 1 71 71 SER HB3 H 1 3.962 0.030 . 2 . . . A 71 SER HB3 . 11488 1 830 . 1 1 71 71 SER C C 13 174.097 0.300 . 1 . . . A 71 SER C . 11488 1 831 . 1 1 71 71 SER CA C 13 59.646 0.300 . 1 . . . A 71 SER CA . 11488 1 832 . 1 1 71 71 SER CB C 13 63.681 0.300 . 1 . . . A 71 SER CB . 11488 1 833 . 1 1 71 71 SER N N 15 111.551 0.300 . 1 . . . A 71 SER N . 11488 1 834 . 1 1 72 72 PHE H H 1 9.215 0.030 . 1 . . . A 72 PHE H . 11488 1 835 . 1 1 72 72 PHE HA H 1 4.307 0.030 . 1 . . . A 72 PHE HA . 11488 1 836 . 1 1 72 72 PHE HB2 H 1 3.026 0.030 . 2 . . . A 72 PHE HB2 . 11488 1 837 . 1 1 72 72 PHE HB3 H 1 2.279 0.030 . 2 . . . A 72 PHE HB3 . 11488 1 838 . 1 1 72 72 PHE HD1 H 1 6.676 0.030 . 1 . . . A 72 PHE HD1 . 11488 1 839 . 1 1 72 72 PHE HD2 H 1 6.676 0.030 . 1 . . . A 72 PHE HD2 . 11488 1 840 . 1 1 72 72 PHE HE1 H 1 7.204 0.030 . 1 . . . A 72 PHE HE1 . 11488 1 841 . 1 1 72 72 PHE HE2 H 1 7.204 0.030 . 1 . . . A 72 PHE HE2 . 11488 1 842 . 1 1 72 72 PHE HZ H 1 6.992 0.030 . 1 . . . A 72 PHE HZ . 11488 1 843 . 1 1 72 72 PHE C C 13 174.521 0.300 . 1 . . . A 72 PHE C . 11488 1 844 . 1 1 72 72 PHE CA C 13 60.543 0.300 . 1 . . . A 72 PHE CA . 11488 1 845 . 1 1 72 72 PHE CB C 13 41.338 0.300 . 1 . . . A 72 PHE CB . 11488 1 846 . 1 1 72 72 PHE CD1 C 13 131.271 0.300 . 1 . . . A 72 PHE CD1 . 11488 1 847 . 1 1 72 72 PHE CD2 C 13 131.271 0.300 . 1 . . . A 72 PHE CD2 . 11488 1 848 . 1 1 72 72 PHE CE1 C 13 130.450 0.300 . 1 . . . A 72 PHE CE1 . 11488 1 849 . 1 1 72 72 PHE CE2 C 13 130.450 0.300 . 1 . . . A 72 PHE CE2 . 11488 1 850 . 1 1 72 72 PHE CZ C 13 129.555 0.300 . 1 . . . A 72 PHE CZ . 11488 1 851 . 1 1 72 72 PHE N N 15 127.943 0.300 . 1 . . . A 72 PHE N . 11488 1 852 . 1 1 73 73 THR H H 1 7.145 0.030 . 1 . . . A 73 THR H . 11488 1 853 . 1 1 73 73 THR HA H 1 4.981 0.030 . 1 . . . A 73 THR HA . 11488 1 854 . 1 1 73 73 THR HB H 1 3.925 0.030 . 1 . . . A 73 THR HB . 11488 1 855 . 1 1 73 73 THR HG21 H 1 1.131 0.030 . 1 . . . A 73 THR HG21 . 11488 1 856 . 1 1 73 73 THR HG22 H 1 1.131 0.030 . 1 . . . A 73 THR HG22 . 11488 1 857 . 1 1 73 73 THR HG23 H 1 1.131 0.030 . 1 . . . A 73 THR HG23 . 11488 1 858 . 1 1 73 73 THR C C 13 171.863 0.300 . 1 . . . A 73 THR C . 11488 1 859 . 1 1 73 73 THR CA C 13 59.215 0.300 . 1 . . . A 73 THR CA . 11488 1 860 . 1 1 73 73 THR CB C 13 72.651 0.300 . 1 . . . A 73 THR CB . 11488 1 861 . 1 1 73 73 THR CG2 C 13 21.451 0.300 . 1 . . . A 73 THR CG2 . 11488 1 862 . 1 1 73 73 THR N N 15 117.992 0.300 . 1 . . . A 73 THR N . 11488 1 863 . 1 1 74 74 CYS H H 1 8.657 0.030 . 1 . . . A 74 CYS H . 11488 1 864 . 1 1 74 74 CYS HA H 1 4.821 0.030 . 1 . . . A 74 CYS HA . 11488 1 865 . 1 1 74 74 CYS HB2 H 1 3.218 0.030 . 2 . . . A 74 CYS HB2 . 11488 1 866 . 1 1 74 74 CYS HB3 H 1 2.829 0.030 . 2 . . . A 74 CYS HB3 . 11488 1 867 . 1 1 74 74 CYS C C 13 173.604 0.300 . 1 . . . A 74 CYS C . 11488 1 868 . 1 1 74 74 CYS CA C 13 56.723 0.300 . 1 . . . A 74 CYS CA . 11488 1 869 . 1 1 74 74 CYS CB C 13 30.515 0.300 . 1 . . . A 74 CYS CB . 11488 1 870 . 1 1 74 74 CYS N N 15 113.715 0.300 . 1 . . . A 74 CYS N . 11488 1 871 . 1 1 75 75 LEU H H 1 8.707 0.030 . 1 . . . A 75 LEU H . 11488 1 872 . 1 1 75 75 LEU HA H 1 4.821 0.030 . 1 . . . A 75 LEU HA . 11488 1 873 . 1 1 75 75 LEU HB2 H 1 1.837 0.030 . 2 . . . A 75 LEU HB2 . 11488 1 874 . 1 1 75 75 LEU HB3 H 1 1.711 0.030 . 2 . . . A 75 LEU HB3 . 11488 1 875 . 1 1 75 75 LEU HG H 1 1.639 0.030 . 1 . . . A 75 LEU HG . 11488 1 876 . 1 1 75 75 LEU HD11 H 1 0.911 0.030 . 1 . . . A 75 LEU HD11 . 11488 1 877 . 1 1 75 75 LEU HD12 H 1 0.911 0.030 . 1 . . . A 75 LEU HD12 . 11488 1 878 . 1 1 75 75 LEU HD13 H 1 0.911 0.030 . 1 . . . A 75 LEU HD13 . 11488 1 879 . 1 1 75 75 LEU HD21 H 1 0.845 0.030 . 1 . . . A 75 LEU HD21 . 11488 1 880 . 1 1 75 75 LEU HD22 H 1 0.845 0.030 . 1 . . . A 75 LEU HD22 . 11488 1 881 . 1 1 75 75 LEU HD23 H 1 0.845 0.030 . 1 . . . A 75 LEU HD23 . 11488 1 882 . 1 1 75 75 LEU C C 13 176.923 0.300 . 1 . . . A 75 LEU C . 11488 1 883 . 1 1 75 75 LEU CA C 13 55.465 0.300 . 1 . . . A 75 LEU CA . 11488 1 884 . 1 1 75 75 LEU CB C 13 42.997 0.300 . 1 . . . A 75 LEU CB . 11488 1 885 . 1 1 75 75 LEU CG C 13 27.149 0.300 . 1 . . . A 75 LEU CG . 11488 1 886 . 1 1 75 75 LEU CD1 C 13 25.213 0.300 . 2 . . . A 75 LEU CD1 . 11488 1 887 . 1 1 75 75 LEU CD2 C 13 23.172 0.300 . 2 . . . A 75 LEU CD2 . 11488 1 888 . 1 1 75 75 LEU N N 15 117.127 0.300 . 1 . . . A 75 LEU N . 11488 1 889 . 1 1 76 76 SER H H 1 7.578 0.030 . 1 . . . A 76 SER H . 11488 1 890 . 1 1 76 76 SER HA H 1 4.641 0.030 . 1 . . . A 76 SER HA . 11488 1 891 . 1 1 76 76 SER HB2 H 1 3.900 0.030 . 2 . . . A 76 SER HB2 . 11488 1 892 . 1 1 76 76 SER HB3 H 1 3.691 0.030 . 2 . . . A 76 SER HB3 . 11488 1 893 . 1 1 76 76 SER C C 13 173.717 0.300 . 1 . . . A 76 SER C . 11488 1 894 . 1 1 76 76 SER CA C 13 56.665 0.300 . 1 . . . A 76 SER CA . 11488 1 895 . 1 1 76 76 SER CB C 13 65.879 0.300 . 1 . . . A 76 SER CB . 11488 1 896 . 1 1 76 76 SER N N 15 112.129 0.300 . 1 . . . A 76 SER N . 11488 1 897 . 1 1 77 77 LYS H H 1 8.558 0.030 . 1 . . . A 77 LYS H . 11488 1 898 . 1 1 77 77 LYS HA H 1 3.235 0.030 . 1 . . . A 77 LYS HA . 11488 1 899 . 1 1 77 77 LYS HB2 H 1 1.524 0.030 . 2 . . . A 77 LYS HB2 . 11488 1 900 . 1 1 77 77 LYS HB3 H 1 1.428 0.030 . 2 . . . A 77 LYS HB3 . 11488 1 901 . 1 1 77 77 LYS HG2 H 1 1.101 0.030 . 1 . . . A 77 LYS HG2 . 11488 1 902 . 1 1 77 77 LYS HG3 H 1 1.101 0.030 . 1 . . . A 77 LYS HG3 . 11488 1 903 . 1 1 77 77 LYS HE2 H 1 2.937 0.030 . 1 . . . A 77 LYS HE2 . 11488 1 904 . 1 1 77 77 LYS HE3 H 1 2.937 0.030 . 1 . . . A 77 LYS HE3 . 11488 1 905 . 1 1 77 77 LYS C C 13 179.202 0.300 . 1 . . . A 77 LYS C . 11488 1 906 . 1 1 77 77 LYS CA C 13 59.114 0.300 . 1 . . . A 77 LYS CA . 11488 1 907 . 1 1 77 77 LYS CB C 13 31.964 0.300 . 1 . . . A 77 LYS CB . 11488 1 908 . 1 1 77 77 LYS CG C 13 25.120 0.300 . 1 . . . A 77 LYS CG . 11488 1 909 . 1 1 77 77 LYS CD C 13 29.237 0.300 . 1 . . . A 77 LYS CD . 11488 1 910 . 1 1 77 77 LYS CE C 13 42.065 0.300 . 1 . . . A 77 LYS CE . 11488 1 911 . 1 1 77 77 LYS N N 15 125.679 0.300 . 1 . . . A 77 LYS N . 11488 1 912 . 1 1 78 78 GLY HA2 H 1 3.853 0.030 . 2 . . . A 78 GLY HA2 . 11488 1 913 . 1 1 78 78 GLY HA3 H 1 3.799 0.030 . 2 . . . A 78 GLY HA3 . 11488 1 914 . 1 1 78 78 GLY C C 13 176.722 0.300 . 1 . . . A 78 GLY C . 11488 1 915 . 1 1 78 78 GLY CA C 13 46.992 0.300 . 1 . . . A 78 GLY CA . 11488 1 916 . 1 1 79 79 HIS H H 1 7.662 0.030 . 1 . . . A 79 HIS H . 11488 1 917 . 1 1 79 79 HIS HA H 1 4.543 0.030 . 1 . . . A 79 HIS HA . 11488 1 918 . 1 1 79 79 HIS HB2 H 1 3.308 0.030 . 1 . . . A 79 HIS HB2 . 11488 1 919 . 1 1 79 79 HIS HB3 H 1 3.308 0.030 . 1 . . . A 79 HIS HB3 . 11488 1 920 . 1 1 79 79 HIS HD2 H 1 7.100 0.030 . 1 . . . A 79 HIS HD2 . 11488 1 921 . 1 1 79 79 HIS HE1 H 1 7.816 0.030 . 1 . . . A 79 HIS HE1 . 11488 1 922 . 1 1 79 79 HIS C C 13 178.415 0.300 . 1 . . . A 79 HIS C . 11488 1 923 . 1 1 79 79 HIS CA C 13 58.352 0.300 . 1 . . . A 79 HIS CA . 11488 1 924 . 1 1 79 79 HIS CB C 13 31.674 0.300 . 1 . . . A 79 HIS CB . 11488 1 925 . 1 1 79 79 HIS CD2 C 13 117.418 0.300 . 1 . . . A 79 HIS CD2 . 11488 1 926 . 1 1 79 79 HIS CE1 C 13 138.762 0.300 . 1 . . . A 79 HIS CE1 . 11488 1 927 . 1 1 79 79 HIS N N 15 121.227 0.300 . 1 . . . A 79 HIS N . 11488 1 928 . 1 1 80 80 LEU H H 1 7.718 0.030 . 1 . . . A 80 LEU H . 11488 1 929 . 1 1 80 80 LEU HA H 1 4.361 0.030 . 1 . . . A 80 LEU HA . 11488 1 930 . 1 1 80 80 LEU HB2 H 1 2.088 0.030 . 2 . . . A 80 LEU HB2 . 11488 1 931 . 1 1 80 80 LEU HB3 H 1 1.385 0.030 . 2 . . . A 80 LEU HB3 . 11488 1 932 . 1 1 80 80 LEU HG H 1 1.838 0.030 . 1 . . . A 80 LEU HG . 11488 1 933 . 1 1 80 80 LEU HD11 H 1 1.022 0.030 . 1 . . . A 80 LEU HD11 . 11488 1 934 . 1 1 80 80 LEU HD12 H 1 1.022 0.030 . 1 . . . A 80 LEU HD12 . 11488 1 935 . 1 1 80 80 LEU HD13 H 1 1.022 0.030 . 1 . . . A 80 LEU HD13 . 11488 1 936 . 1 1 80 80 LEU HD21 H 1 1.083 0.030 . 1 . . . A 80 LEU HD21 . 11488 1 937 . 1 1 80 80 LEU HD22 H 1 1.083 0.030 . 1 . . . A 80 LEU HD22 . 11488 1 938 . 1 1 80 80 LEU HD23 H 1 1.083 0.030 . 1 . . . A 80 LEU HD23 . 11488 1 939 . 1 1 80 80 LEU C C 13 177.522 0.300 . 1 . . . A 80 LEU C . 11488 1 940 . 1 1 80 80 LEU CA C 13 58.123 0.300 . 1 . . . A 80 LEU CA . 11488 1 941 . 1 1 80 80 LEU CB C 13 41.367 0.300 . 1 . . . A 80 LEU CB . 11488 1 942 . 1 1 80 80 LEU CG C 13 26.802 0.300 . 1 . . . A 80 LEU CG . 11488 1 943 . 1 1 80 80 LEU CD1 C 13 26.359 0.300 . 2 . . . A 80 LEU CD1 . 11488 1 944 . 1 1 80 80 LEU CD2 C 13 22.392 0.300 . 2 . . . A 80 LEU CD2 . 11488 1 945 . 1 1 80 80 LEU N N 15 123.600 0.300 . 1 . . . A 80 LEU N . 11488 1 946 . 1 1 81 81 LYS H H 1 7.967 0.030 . 1 . . . A 81 LYS H . 11488 1 947 . 1 1 81 81 LYS HA H 1 4.004 0.030 . 1 . . . A 81 LYS HA . 11488 1 948 . 1 1 81 81 LYS HB2 H 1 1.981 0.030 . 1 . . . A 81 LYS HB2 . 11488 1 949 . 1 1 81 81 LYS HB3 H 1 1.981 0.030 . 1 . . . A 81 LYS HB3 . 11488 1 950 . 1 1 81 81 LYS HG2 H 1 1.563 0.030 . 2 . . . A 81 LYS HG2 . 11488 1 951 . 1 1 81 81 LYS HG3 H 1 1.403 0.030 . 2 . . . A 81 LYS HG3 . 11488 1 952 . 1 1 81 81 LYS HD2 H 1 1.725 0.030 . 2 . . . A 81 LYS HD2 . 11488 1 953 . 1 1 81 81 LYS HD3 H 1 1.677 0.030 . 2 . . . A 81 LYS HD3 . 11488 1 954 . 1 1 81 81 LYS HE2 H 1 2.986 0.030 . 1 . . . A 81 LYS HE2 . 11488 1 955 . 1 1 81 81 LYS HE3 H 1 2.986 0.030 . 1 . . . A 81 LYS HE3 . 11488 1 956 . 1 1 81 81 LYS C C 13 178.911 0.300 . 1 . . . A 81 LYS C . 11488 1 957 . 1 1 81 81 LYS CA C 13 60.138 0.300 . 1 . . . A 81 LYS CA . 11488 1 958 . 1 1 81 81 LYS CB C 13 32.501 0.300 . 1 . . . A 81 LYS CB . 11488 1 959 . 1 1 81 81 LYS CG C 13 24.831 0.300 . 1 . . . A 81 LYS CG . 11488 1 960 . 1 1 81 81 LYS CD C 13 29.613 0.300 . 1 . . . A 81 LYS CD . 11488 1 961 . 1 1 81 81 LYS CE C 13 42.215 0.300 . 1 . . . A 81 LYS CE . 11488 1 962 . 1 1 81 81 LYS N N 15 119.317 0.300 . 1 . . . A 81 LYS N . 11488 1 963 . 1 1 82 82 VAL H H 1 7.426 0.030 . 1 . . . A 82 VAL H . 11488 1 964 . 1 1 82 82 VAL HA H 1 3.793 0.030 . 1 . . . A 82 VAL HA . 11488 1 965 . 1 1 82 82 VAL HB H 1 2.116 0.030 . 1 . . . A 82 VAL HB . 11488 1 966 . 1 1 82 82 VAL HG11 H 1 1.095 0.030 . 1 . . . A 82 VAL HG11 . 11488 1 967 . 1 1 82 82 VAL HG12 H 1 1.095 0.030 . 1 . . . A 82 VAL HG12 . 11488 1 968 . 1 1 82 82 VAL HG13 H 1 1.095 0.030 . 1 . . . A 82 VAL HG13 . 11488 1 969 . 1 1 82 82 VAL HG21 H 1 0.969 0.030 . 1 . . . A 82 VAL HG21 . 11488 1 970 . 1 1 82 82 VAL HG22 H 1 0.969 0.030 . 1 . . . A 82 VAL HG22 . 11488 1 971 . 1 1 82 82 VAL HG23 H 1 0.969 0.030 . 1 . . . A 82 VAL HG23 . 11488 1 972 . 1 1 82 82 VAL C C 13 177.533 0.300 . 1 . . . A 82 VAL C . 11488 1 973 . 1 1 82 82 VAL CA C 13 66.051 0.300 . 1 . . . A 82 VAL CA . 11488 1 974 . 1 1 82 82 VAL CB C 13 31.959 0.300 . 1 . . . A 82 VAL CB . 11488 1 975 . 1 1 82 82 VAL CG1 C 13 22.584 0.300 . 2 . . . A 82 VAL CG1 . 11488 1 976 . 1 1 82 82 VAL CG2 C 13 21.050 0.300 . 2 . . . A 82 VAL CG2 . 11488 1 977 . 1 1 82 82 VAL N N 15 117.712 0.300 . 1 . . . A 82 VAL N . 11488 1 978 . 1 1 83 83 HIS H H 1 7.805 0.030 . 1 . . . A 83 HIS H . 11488 1 979 . 1 1 83 83 HIS HA H 1 4.052 0.030 . 1 . . . A 83 HIS HA . 11488 1 980 . 1 1 83 83 HIS HB2 H 1 3.456 0.030 . 2 . . . A 83 HIS HB2 . 11488 1 981 . 1 1 83 83 HIS HB3 H 1 2.595 0.030 . 2 . . . A 83 HIS HB3 . 11488 1 982 . 1 1 83 83 HIS HD2 H 1 7.140 0.030 . 1 . . . A 83 HIS HD2 . 11488 1 983 . 1 1 83 83 HIS HE1 H 1 7.495 0.030 . 1 . . . A 83 HIS HE1 . 11488 1 984 . 1 1 83 83 HIS C C 13 176.507 0.300 . 1 . . . A 83 HIS C . 11488 1 985 . 1 1 83 83 HIS CA C 13 59.949 0.300 . 1 . . . A 83 HIS CA . 11488 1 986 . 1 1 83 83 HIS CB C 13 28.084 0.300 . 1 . . . A 83 HIS CB . 11488 1 987 . 1 1 83 83 HIS CD2 C 13 127.235 0.300 . 1 . . . A 83 HIS CD2 . 11488 1 988 . 1 1 83 83 HIS CE1 C 13 138.595 0.300 . 1 . . . A 83 HIS CE1 . 11488 1 989 . 1 1 83 83 HIS N N 15 119.162 0.300 . 1 . . . A 83 HIS N . 11488 1 990 . 1 1 84 84 ILE H H 1 8.718 0.030 . 1 . . . A 84 ILE H . 11488 1 991 . 1 1 84 84 ILE HA H 1 3.477 0.030 . 1 . . . A 84 ILE HA . 11488 1 992 . 1 1 84 84 ILE HB H 1 2.044 0.030 . 1 . . . A 84 ILE HB . 11488 1 993 . 1 1 84 84 ILE HG12 H 1 2.320 0.030 . 2 . . . A 84 ILE HG12 . 11488 1 994 . 1 1 84 84 ILE HG13 H 1 1.587 0.030 . 2 . . . A 84 ILE HG13 . 11488 1 995 . 1 1 84 84 ILE HG21 H 1 1.083 0.030 . 1 . . . A 84 ILE HG21 . 11488 1 996 . 1 1 84 84 ILE HG22 H 1 1.083 0.030 . 1 . . . A 84 ILE HG22 . 11488 1 997 . 1 1 84 84 ILE HG23 H 1 1.083 0.030 . 1 . . . A 84 ILE HG23 . 11488 1 998 . 1 1 84 84 ILE HD11 H 1 1.217 0.030 . 1 . . . A 84 ILE HD11 . 11488 1 999 . 1 1 84 84 ILE HD12 H 1 1.217 0.030 . 1 . . . A 84 ILE HD12 . 11488 1 1000 . 1 1 84 84 ILE HD13 H 1 1.217 0.030 . 1 . . . A 84 ILE HD13 . 11488 1 1001 . 1 1 84 84 ILE C C 13 178.563 0.300 . 1 . . . A 84 ILE C . 11488 1 1002 . 1 1 84 84 ILE CA C 13 66.762 0.300 . 1 . . . A 84 ILE CA . 11488 1 1003 . 1 1 84 84 ILE CB C 13 38.399 0.300 . 1 . . . A 84 ILE CB . 11488 1 1004 . 1 1 84 84 ILE CG1 C 13 31.113 0.300 . 1 . . . A 84 ILE CG1 . 11488 1 1005 . 1 1 84 84 ILE CG2 C 13 18.033 0.300 . 1 . . . A 84 ILE CG2 . 11488 1 1006 . 1 1 84 84 ILE CD1 C 13 14.433 0.300 . 1 . . . A 84 ILE CD1 . 11488 1 1007 . 1 1 84 84 ILE N N 15 118.862 0.300 . 1 . . . A 84 ILE N . 11488 1 1008 . 1 1 85 85 GLU H H 1 7.942 0.030 . 1 . . . A 85 GLU H . 11488 1 1009 . 1 1 85 85 GLU HA H 1 3.925 0.030 . 1 . . . A 85 GLU HA . 11488 1 1010 . 1 1 85 85 GLU HB2 H 1 2.134 0.030 . 2 . . . A 85 GLU HB2 . 11488 1 1011 . 1 1 85 85 GLU HB3 H 1 2.002 0.030 . 2 . . . A 85 GLU HB3 . 11488 1 1012 . 1 1 85 85 GLU HG2 H 1 2.440 0.030 . 2 . . . A 85 GLU HG2 . 11488 1 1013 . 1 1 85 85 GLU HG3 H 1 2.218 0.030 . 2 . . . A 85 GLU HG3 . 11488 1 1014 . 1 1 85 85 GLU C C 13 178.082 0.300 . 1 . . . A 85 GLU C . 11488 1 1015 . 1 1 85 85 GLU CA C 13 59.246 0.300 . 1 . . . A 85 GLU CA . 11488 1 1016 . 1 1 85 85 GLU CB C 13 29.735 0.300 . 1 . . . A 85 GLU CB . 11488 1 1017 . 1 1 85 85 GLU CG C 13 36.493 0.300 . 1 . . . A 85 GLU CG . 11488 1 1018 . 1 1 85 85 GLU N N 15 118.254 0.300 . 1 . . . A 85 GLU N . 11488 1 1019 . 1 1 86 86 ARG H H 1 8.205 0.030 . 1 . . . A 86 ARG H . 11488 1 1020 . 1 1 86 86 ARG HA H 1 4.079 0.030 . 1 . . . A 86 ARG HA . 11488 1 1021 . 1 1 86 86 ARG HB2 H 1 1.818 0.030 . 2 . . . A 86 ARG HB2 . 11488 1 1022 . 1 1 86 86 ARG HB3 H 1 1.723 0.030 . 2 . . . A 86 ARG HB3 . 11488 1 1023 . 1 1 86 86 ARG HG2 H 1 1.772 0.030 . 2 . . . A 86 ARG HG2 . 11488 1 1024 . 1 1 86 86 ARG HG3 H 1 1.560 0.030 . 2 . . . A 86 ARG HG3 . 11488 1 1025 . 1 1 86 86 ARG HD2 H 1 3.081 0.030 . 1 . . . A 86 ARG HD2 . 11488 1 1026 . 1 1 86 86 ARG HD3 H 1 3.081 0.030 . 1 . . . A 86 ARG HD3 . 11488 1 1027 . 1 1 86 86 ARG C C 13 178.108 0.300 . 1 . . . A 86 ARG C . 11488 1 1028 . 1 1 86 86 ARG CA C 13 58.482 0.300 . 1 . . . A 86 ARG CA . 11488 1 1029 . 1 1 86 86 ARG CB C 13 31.113 0.300 . 1 . . . A 86 ARG CB . 11488 1 1030 . 1 1 86 86 ARG CG C 13 27.648 0.300 . 1 . . . A 86 ARG CG . 11488 1 1031 . 1 1 86 86 ARG CD C 13 43.357 0.300 . 1 . . . A 86 ARG CD . 11488 1 1032 . 1 1 86 86 ARG N N 15 116.065 0.300 . 1 . . . A 86 ARG N . 11488 1 1033 . 1 1 87 87 VAL H H 1 8.196 0.030 . 1 . . . A 87 VAL H . 11488 1 1034 . 1 1 87 87 VAL HA H 1 3.663 0.030 . 1 . . . A 87 VAL HA . 11488 1 1035 . 1 1 87 87 VAL HB H 1 0.712 0.030 . 1 . . . A 87 VAL HB . 11488 1 1036 . 1 1 87 87 VAL HG11 H 1 0.501 0.030 . 1 . . . A 87 VAL HG11 . 11488 1 1037 . 1 1 87 87 VAL HG12 H 1 0.501 0.030 . 1 . . . A 87 VAL HG12 . 11488 1 1038 . 1 1 87 87 VAL HG13 H 1 0.501 0.030 . 1 . . . A 87 VAL HG13 . 11488 1 1039 . 1 1 87 87 VAL HG21 H 1 0.212 0.030 . 1 . . . A 87 VAL HG21 . 11488 1 1040 . 1 1 87 87 VAL HG22 H 1 0.212 0.030 . 1 . . . A 87 VAL HG22 . 11488 1 1041 . 1 1 87 87 VAL HG23 H 1 0.212 0.030 . 1 . . . A 87 VAL HG23 . 11488 1 1042 . 1 1 87 87 VAL C C 13 176.420 0.300 . 1 . . . A 87 VAL C . 11488 1 1043 . 1 1 87 87 VAL CA C 13 64.286 0.300 . 1 . . . A 87 VAL CA . 11488 1 1044 . 1 1 87 87 VAL CB C 13 32.314 0.300 . 1 . . . A 87 VAL CB . 11488 1 1045 . 1 1 87 87 VAL CG1 C 13 22.376 0.300 . 2 . . . A 87 VAL CG1 . 11488 1 1046 . 1 1 87 87 VAL CG2 C 13 20.999 0.300 . 2 . . . A 87 VAL CG2 . 11488 1 1047 . 1 1 87 87 VAL N N 15 116.065 0.300 . 1 . . . A 87 VAL N . 11488 1 1048 . 1 1 88 88 HIS H H 1 7.160 0.030 . 1 . . . A 88 HIS H . 11488 1 1049 . 1 1 88 88 HIS HA H 1 4.844 0.030 . 1 . . . A 88 HIS HA . 11488 1 1050 . 1 1 88 88 HIS HB2 H 1 3.018 0.030 . 2 . . . A 88 HIS HB2 . 11488 1 1051 . 1 1 88 88 HIS HB3 H 1 2.825 0.030 . 2 . . . A 88 HIS HB3 . 11488 1 1052 . 1 1 88 88 HIS HD2 H 1 6.643 0.030 . 1 . . . A 88 HIS HD2 . 11488 1 1053 . 1 1 88 88 HIS HE1 H 1 7.929 0.030 . 1 . . . A 88 HIS HE1 . 11488 1 1054 . 1 1 88 88 HIS C C 13 174.464 0.300 . 1 . . . A 88 HIS C . 11488 1 1055 . 1 1 88 88 HIS CA C 13 54.399 0.300 . 1 . . . A 88 HIS CA . 11488 1 1056 . 1 1 88 88 HIS CB C 13 28.350 0.300 . 1 . . . A 88 HIS CB . 11488 1 1057 . 1 1 88 88 HIS CD2 C 13 127.770 0.300 . 1 . . . A 88 HIS CD2 . 11488 1 1058 . 1 1 88 88 HIS CE1 C 13 140.052 0.300 . 1 . . . A 88 HIS CE1 . 11488 1 1059 . 1 1 88 88 HIS N N 15 115.396 0.300 . 1 . . . A 88 HIS N . 11488 1 1060 . 1 1 89 89 LYS H H 1 7.393 0.030 . 1 . . . A 89 LYS H . 11488 1 1061 . 1 1 89 89 LYS HA H 1 4.200 0.030 . 1 . . . A 89 LYS HA . 11488 1 1062 . 1 1 89 89 LYS HB2 H 1 1.851 0.030 . 1 . . . A 89 LYS HB2 . 11488 1 1063 . 1 1 89 89 LYS HB3 H 1 1.851 0.030 . 1 . . . A 89 LYS HB3 . 11488 1 1064 . 1 1 89 89 LYS HG2 H 1 1.331 0.030 . 2 . . . A 89 LYS HG2 . 11488 1 1065 . 1 1 89 89 LYS HG3 H 1 1.271 0.030 . 2 . . . A 89 LYS HG3 . 11488 1 1066 . 1 1 89 89 LYS HD2 H 1 1.624 0.030 . 1 . . . A 89 LYS HD2 . 11488 1 1067 . 1 1 89 89 LYS HD3 H 1 1.624 0.030 . 1 . . . A 89 LYS HD3 . 11488 1 1068 . 1 1 89 89 LYS HE2 H 1 2.931 0.030 . 1 . . . A 89 LYS HE2 . 11488 1 1069 . 1 1 89 89 LYS HE3 H 1 2.931 0.030 . 1 . . . A 89 LYS HE3 . 11488 1 1070 . 1 1 89 89 LYS C C 13 176.065 0.300 . 1 . . . A 89 LYS C . 11488 1 1071 . 1 1 89 89 LYS CA C 13 56.712 0.300 . 1 . . . A 89 LYS CA . 11488 1 1072 . 1 1 89 89 LYS CB C 13 31.561 0.300 . 1 . . . A 89 LYS CB . 11488 1 1073 . 1 1 89 89 LYS CG C 13 24.783 0.300 . 1 . . . A 89 LYS CG . 11488 1 1074 . 1 1 89 89 LYS CD C 13 29.068 0.300 . 1 . . . A 89 LYS CD . 11488 1 1075 . 1 1 89 89 LYS CE C 13 42.215 0.300 . 1 . . . A 89 LYS CE . 11488 1 1076 . 1 1 89 89 LYS N N 15 118.288 0.300 . 1 . . . A 89 LYS N . 11488 1 1077 . 1 1 90 90 LYS H H 1 7.765 0.030 . 1 . . . A 90 LYS H . 11488 1 1078 . 1 1 90 90 LYS HA H 1 4.343 0.030 . 1 . . . A 90 LYS HA . 11488 1 1079 . 1 1 90 90 LYS HB2 H 1 1.766 0.030 . 2 . . . A 90 LYS HB2 . 11488 1 1080 . 1 1 90 90 LYS HB3 H 1 1.611 0.030 . 2 . . . A 90 LYS HB3 . 11488 1 1081 . 1 1 90 90 LYS HG2 H 1 1.269 0.030 . 1 . . . A 90 LYS HG2 . 11488 1 1082 . 1 1 90 90 LYS HG3 H 1 1.269 0.030 . 1 . . . A 90 LYS HG3 . 11488 1 1083 . 1 1 90 90 LYS HE2 H 1 2.860 0.030 . 1 . . . A 90 LYS HE2 . 11488 1 1084 . 1 1 90 90 LYS HE3 H 1 2.860 0.030 . 1 . . . A 90 LYS HE3 . 11488 1 1085 . 1 1 90 90 LYS C C 13 176.007 0.300 . 1 . . . A 90 LYS C . 11488 1 1086 . 1 1 90 90 LYS CA C 13 55.763 0.300 . 1 . . . A 90 LYS CA . 11488 1 1087 . 1 1 90 90 LYS CB C 13 33.024 0.300 . 1 . . . A 90 LYS CB . 11488 1 1088 . 1 1 90 90 LYS CG C 13 24.584 0.300 . 1 . . . A 90 LYS CG . 11488 1 1089 . 1 1 90 90 LYS CD C 13 29.033 0.300 . 1 . . . A 90 LYS CD . 11488 1 1090 . 1 1 90 90 LYS CE C 13 42.215 0.300 . 1 . . . A 90 LYS CE . 11488 1 1091 . 1 1 90 90 LYS N N 15 119.970 0.300 . 1 . . . A 90 LYS N . 11488 1 1092 . 1 1 91 91 ILE H H 1 8.125 0.030 . 1 . . . A 91 ILE H . 11488 1 1093 . 1 1 91 91 ILE HA H 1 4.134 0.030 . 1 . . . A 91 ILE HA . 11488 1 1094 . 1 1 91 91 ILE HB H 1 1.834 0.030 . 1 . . . A 91 ILE HB . 11488 1 1095 . 1 1 91 91 ILE HG12 H 1 1.364 0.030 . 2 . . . A 91 ILE HG12 . 11488 1 1096 . 1 1 91 91 ILE HG13 H 1 1.111 0.030 . 2 . . . A 91 ILE HG13 . 11488 1 1097 . 1 1 91 91 ILE HG21 H 1 0.845 0.030 . 1 . . . A 91 ILE HG21 . 11488 1 1098 . 1 1 91 91 ILE HG22 H 1 0.845 0.030 . 1 . . . A 91 ILE HG22 . 11488 1 1099 . 1 1 91 91 ILE HG23 H 1 0.845 0.030 . 1 . . . A 91 ILE HG23 . 11488 1 1100 . 1 1 91 91 ILE HD11 H 1 0.772 0.030 . 1 . . . A 91 ILE HD11 . 11488 1 1101 . 1 1 91 91 ILE HD12 H 1 0.772 0.030 . 1 . . . A 91 ILE HD12 . 11488 1 1102 . 1 1 91 91 ILE HD13 H 1 0.772 0.030 . 1 . . . A 91 ILE HD13 . 11488 1 1103 . 1 1 91 91 ILE C C 13 175.304 0.300 . 1 . . . A 91 ILE C . 11488 1 1104 . 1 1 91 91 ILE CA C 13 61.117 0.300 . 1 . . . A 91 ILE CA . 11488 1 1105 . 1 1 91 91 ILE CB C 13 38.692 0.300 . 1 . . . A 91 ILE CB . 11488 1 1106 . 1 1 91 91 ILE CG1 C 13 27.138 0.300 . 1 . . . A 91 ILE CG1 . 11488 1 1107 . 1 1 91 91 ILE CG2 C 13 17.574 0.300 . 1 . . . A 91 ILE CG2 . 11488 1 1108 . 1 1 91 91 ILE CD1 C 13 12.814 0.300 . 1 . . . A 91 ILE CD1 . 11488 1 1109 . 1 1 91 91 ILE N N 15 121.568 0.300 . 1 . . . A 91 ILE N . 11488 1 1110 . 1 1 92 92 LYS H H 1 7.856 0.030 . 1 . . . A 92 LYS H . 11488 1 1111 . 1 1 92 92 LYS HA H 1 4.148 0.030 . 1 . . . A 92 LYS HA . 11488 1 1112 . 1 1 92 92 LYS HB2 H 1 1.786 0.030 . 2 . . . A 92 LYS HB2 . 11488 1 1113 . 1 1 92 92 LYS HB3 H 1 1.707 0.030 . 2 . . . A 92 LYS HB3 . 11488 1 1114 . 1 1 92 92 LYS HG2 H 1 1.374 0.030 . 1 . . . A 92 LYS HG2 . 11488 1 1115 . 1 1 92 92 LYS HG3 H 1 1.374 0.030 . 1 . . . A 92 LYS HG3 . 11488 1 1116 . 1 1 92 92 LYS HD2 H 1 1.665 0.030 . 1 . . . A 92 LYS HD2 . 11488 1 1117 . 1 1 92 92 LYS HD3 H 1 1.665 0.030 . 1 . . . A 92 LYS HD3 . 11488 1 1118 . 1 1 92 92 LYS HE2 H 1 2.971 0.030 . 1 . . . A 92 LYS HE2 . 11488 1 1119 . 1 1 92 92 LYS HE3 H 1 2.971 0.030 . 1 . . . A 92 LYS HE3 . 11488 1 1120 . 1 1 92 92 LYS C C 13 180.861 0.300 . 1 . . . A 92 LYS C . 11488 1 1121 . 1 1 92 92 LYS CA C 13 57.669 0.300 . 1 . . . A 92 LYS CA . 11488 1 1122 . 1 1 92 92 LYS CB C 13 33.856 0.300 . 1 . . . A 92 LYS CB . 11488 1 1123 . 1 1 92 92 LYS CG C 13 24.570 0.300 . 1 . . . A 92 LYS CG . 11488 1 1124 . 1 1 92 92 LYS CD C 13 29.237 0.300 . 1 . . . A 92 LYS CD . 11488 1 1125 . 1 1 92 92 LYS CE C 13 42.314 0.300 . 1 . . . A 92 LYS CE . 11488 1 1126 . 1 1 92 92 LYS N N 15 129.415 0.300 . 1 . . . A 92 LYS N . 11488 1 stop_ save_