data_16161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16161 _Entry.Title ; Solution NMR Structure of a domain from a Putative Phage Integrase Protein BF2284 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-06 _Entry.Accession_date 2009-02-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Jeffrey Mills . L. . 16161 2 Bharathwaj Sathyamoorthy . . . 16161 3 Dinesh Sukumaran . K. . 16161 4 Dan Lee . . . 16161 5 Colleen Ciccosanti . . . 16161 6 Mei Jiang . . . 16161 7 Rong Xiao . . . 16161 8 Thomas Acton . B. . 16161 9 'G. V. T.' Swapna . . . 16161 10 Burkhard Rost . . . 16161 11 R. Nair . . . 16161 12 John Everett . K. . 16161 13 Gaetano Montelione . T. . 16161 14 Thomas Szyperski . . . 16161 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16161 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NESGC . 16161 'Protein structure' . 16161 PSI . 16161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 16161 '15N chemical shifts' 108 16161 '1H chemical shifts' 709 16161 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 3 . . 2010-06-02 2009-02-06 update BMRB 'edit assembly name' 16161 2 . . 2009-04-13 2009-02-06 update author 'modify the chemical shifts' 16161 1 . . 2009-03-12 2009-02-06 original author 'original release' 16161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KEY 'BMRB Entry Tracking System' 16161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16161 _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 NMR Structure of a domain from a Putative Phage Integrase Protein, BF2284, from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C' _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 Jeffrey Mills . L. . 16161 1 2 Bharathwaj Sathyamoorthy . . . 16161 1 3 Dinesh Sukumaran . K. . 16161 1 4 Dan Lee . . . 16161 1 5 Colleen Ciccosanti . . . 16161 1 6 Mei Jiang . . . 16161 1 7 Rong Xiao . . . 16161 1 8 Thomas Acton . B. . 16161 1 9 'G. V. T.' Swapna . . . 16161 1 10 Burkhard Rost . . . 16161 1 11 R. Nair . . . 16161 1 12 John Everett . K. . 16161 1 13 Gaetano Montelione . T. . 16161 1 14 Thomas Szyperski . . . 16161 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 16161 1 NESGC 16161 1 'Protein structure' 16161 1 PSI 16161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16161 _Assembly.ID 1 _Assembly.Name BfR257C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 BfR257C 1 $BfR257C A . yes native no no . . . 16161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BfR257C _Entity.Sf_category entity _Entity.Sf_framecode BfR257C _Entity.Entry_ID 16161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BfR257C _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 ; MNNPSDFKSFHDFVASYMKT YSRRLEIGTFRHHKSCMRKF KEYCEGLQFHELTEDFLRDY LIYMKKTLCNADSTAQRNLS TIKIYVSAAIKKGYMENDPF KDFGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 2-104 (our numbering) correspond to residues 96-198 in the full length protein' _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17378.928 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KEY . "Solution Nmr Structure Of A Domain From A Putative Phage Integrase Protein Bf2284 From Bacteroides Fragilis, Northeast Structur" . . . . . 100.00 112 100.00 100.00 7.32e-77 . . . . 16161 1 2 no EMBL CAH07978 . "putative phage integrase [Bacteroides fragilis NCTC 9343]" . . . . . 94.64 387 97.17 99.06 6.59e-68 . . . . 16161 1 3 no GB EEZ27747 . "site-specific recombinase, phage integrase family [Bacteroides sp. 2_1_16]" . . . . . 94.64 387 97.17 99.06 8.34e-68 . . . . 16161 1 4 no GB EXY13158 . "putative phage integrase [Bacteroides fragilis str. 1007-1-F #8]" . . . . . 94.64 387 97.17 99.06 8.17e-68 . . . . 16161 1 5 no GB EXY18263 . "putative phage integrase [Bacteroides fragilis str. 2-F-2 #5]" . . . . . 94.64 387 97.17 99.06 7.99e-68 . . . . 16161 1 6 no GB EXY22104 . "putative phage integrase [Bacteroides fragilis str. 2-F-2 #7]" . . . . . 94.64 387 97.17 99.06 7.99e-68 . . . . 16161 1 7 no GB EXY84681 . "putative phage integrase [Bacteroides fragilis str. 3996 N(B) 6]" . . . . . 94.64 387 97.17 99.06 6.59e-68 . . . . 16161 1 8 no REF WP_008768751 . "integrase [Bacteroides sp. 2_1_16]" . . . . . 94.64 387 97.17 99.06 8.34e-68 . . . . 16161 1 9 no REF WP_010992937 . "integrase [Bacteroides fragilis]" . . . . . 94.64 387 97.17 99.06 6.59e-68 . . . . 16161 1 10 no REF WP_032533231 . "integrase [Bacteroides fragilis]" . . . . . 94.64 387 97.17 99.06 8.17e-68 . . . . 16161 1 11 no REF WP_032570504 . "integrase, partial [Bacteroides fragilis]" . . . . . 76.79 273 97.67 100.00 3.82e-53 . . . . 16161 1 12 no REF WP_032572291 . "integrase [Bacteroides fragilis]" . . . . . 94.64 387 97.17 99.06 7.99e-68 . . . . 16161 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 . MET . 16161 1 2 . ASN . 16161 1 3 . ASN . 16161 1 4 . PRO . 16161 1 5 . SER . 16161 1 6 . ASP . 16161 1 7 . PHE . 16161 1 8 . LYS . 16161 1 9 . SER . 16161 1 10 . PHE . 16161 1 11 . HIS . 16161 1 12 . ASP . 16161 1 13 . PHE . 16161 1 14 . VAL . 16161 1 15 . ALA . 16161 1 16 . SER . 16161 1 17 . TYR . 16161 1 18 . MET . 16161 1 19 . LYS . 16161 1 20 . THR . 16161 1 21 . TYR . 16161 1 22 . SER . 16161 1 23 . ARG . 16161 1 24 . ARG . 16161 1 25 . LEU . 16161 1 26 . GLU . 16161 1 27 . ILE . 16161 1 28 . GLY . 16161 1 29 . THR . 16161 1 30 . PHE . 16161 1 31 . ARG . 16161 1 32 . HIS . 16161 1 33 . HIS . 16161 1 34 . LYS . 16161 1 35 . SER . 16161 1 36 . CYS . 16161 1 37 . MET . 16161 1 38 . ARG . 16161 1 39 . LYS . 16161 1 40 . PHE . 16161 1 41 . LYS . 16161 1 42 . GLU . 16161 1 43 . TYR . 16161 1 44 . CYS . 16161 1 45 . GLU . 16161 1 46 . GLY . 16161 1 47 . LEU . 16161 1 48 . GLN . 16161 1 49 . PHE . 16161 1 50 . HIS . 16161 1 51 . GLU . 16161 1 52 . LEU . 16161 1 53 . THR . 16161 1 54 . GLU . 16161 1 55 . ASP . 16161 1 56 . PHE . 16161 1 57 . LEU . 16161 1 58 . ARG . 16161 1 59 . ASP . 16161 1 60 . TYR . 16161 1 61 . LEU . 16161 1 62 . ILE . 16161 1 63 . TYR . 16161 1 64 . MET . 16161 1 65 . LYS . 16161 1 66 . LYS . 16161 1 67 . THR . 16161 1 68 . LEU . 16161 1 69 . CYS . 16161 1 70 . ASN . 16161 1 71 . ALA . 16161 1 72 . ASP . 16161 1 73 . SER . 16161 1 74 . THR . 16161 1 75 . ALA . 16161 1 76 . GLN . 16161 1 77 . ARG . 16161 1 78 . ASN . 16161 1 79 . LEU . 16161 1 80 . SER . 16161 1 81 . THR . 16161 1 82 . ILE . 16161 1 83 . LYS . 16161 1 84 . ILE . 16161 1 85 . TYR . 16161 1 86 . VAL . 16161 1 87 . SER . 16161 1 88 . ALA . 16161 1 89 . ALA . 16161 1 90 . ILE . 16161 1 91 . LYS . 16161 1 92 . LYS . 16161 1 93 . GLY . 16161 1 94 . TYR . 16161 1 95 . MET . 16161 1 96 . GLU . 16161 1 97 . ASN . 16161 1 98 . ASP . 16161 1 99 . PRO . 16161 1 100 . PHE . 16161 1 101 . LYS . 16161 1 102 . ASP . 16161 1 103 . PHE . 16161 1 104 . GLY . 16161 1 105 . LEU . 16161 1 106 . GLU . 16161 1 107 . HIS . 16161 1 108 . HIS . 16161 1 109 . HIS . 16161 1 110 . HIS . 16161 1 111 . HIS . 16161 1 112 . HIS . 16161 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16161 1 . ASN 2 2 16161 1 . ASN 3 3 16161 1 . PRO 4 4 16161 1 . SER 5 5 16161 1 . ASP 6 6 16161 1 . PHE 7 7 16161 1 . LYS 8 8 16161 1 . SER 9 9 16161 1 . PHE 10 10 16161 1 . HIS 11 11 16161 1 . ASP 12 12 16161 1 . PHE 13 13 16161 1 . VAL 14 14 16161 1 . ALA 15 15 16161 1 . SER 16 16 16161 1 . TYR 17 17 16161 1 . MET 18 18 16161 1 . LYS 19 19 16161 1 . THR 20 20 16161 1 . TYR 21 21 16161 1 . SER 22 22 16161 1 . ARG 23 23 16161 1 . ARG 24 24 16161 1 . LEU 25 25 16161 1 . GLU 26 26 16161 1 . ILE 27 27 16161 1 . GLY 28 28 16161 1 . THR 29 29 16161 1 . PHE 30 30 16161 1 . ARG 31 31 16161 1 . HIS 32 32 16161 1 . HIS 33 33 16161 1 . LYS 34 34 16161 1 . SER 35 35 16161 1 . CYS 36 36 16161 1 . MET 37 37 16161 1 . ARG 38 38 16161 1 . LYS 39 39 16161 1 . PHE 40 40 16161 1 . LYS 41 41 16161 1 . GLU 42 42 16161 1 . TYR 43 43 16161 1 . CYS 44 44 16161 1 . GLU 45 45 16161 1 . GLY 46 46 16161 1 . LEU 47 47 16161 1 . GLN 48 48 16161 1 . PHE 49 49 16161 1 . HIS 50 50 16161 1 . GLU 51 51 16161 1 . LEU 52 52 16161 1 . THR 53 53 16161 1 . GLU 54 54 16161 1 . ASP 55 55 16161 1 . PHE 56 56 16161 1 . LEU 57 57 16161 1 . ARG 58 58 16161 1 . ASP 59 59 16161 1 . TYR 60 60 16161 1 . LEU 61 61 16161 1 . ILE 62 62 16161 1 . TYR 63 63 16161 1 . MET 64 64 16161 1 . LYS 65 65 16161 1 . LYS 66 66 16161 1 . THR 67 67 16161 1 . LEU 68 68 16161 1 . CYS 69 69 16161 1 . ASN 70 70 16161 1 . ALA 71 71 16161 1 . ASP 72 72 16161 1 . SER 73 73 16161 1 . THR 74 74 16161 1 . ALA 75 75 16161 1 . GLN 76 76 16161 1 . ARG 77 77 16161 1 . ASN 78 78 16161 1 . LEU 79 79 16161 1 . SER 80 80 16161 1 . THR 81 81 16161 1 . ILE 82 82 16161 1 . LYS 83 83 16161 1 . ILE 84 84 16161 1 . TYR 85 85 16161 1 . VAL 86 86 16161 1 . SER 87 87 16161 1 . ALA 88 88 16161 1 . ALA 89 89 16161 1 . ILE 90 90 16161 1 . LYS 91 91 16161 1 . LYS 92 92 16161 1 . GLY 93 93 16161 1 . TYR 94 94 16161 1 . MET 95 95 16161 1 . GLU 96 96 16161 1 . ASN 97 97 16161 1 . ASP 98 98 16161 1 . PRO 99 99 16161 1 . PHE 100 100 16161 1 . LYS 101 101 16161 1 . ASP 102 102 16161 1 . PHE 103 103 16161 1 . GLY 104 104 16161 1 . LEU 105 105 16161 1 . GLU 106 106 16161 1 . HIS 107 107 16161 1 . HIS 108 108 16161 1 . HIS 109 109 16161 1 . HIS 110 110 16161 1 . HIS 111 111 16161 1 . HIS 112 112 16161 1 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 16161 _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 $BfR257C . 817 organism . 'Bacteroides fragilis' 'Bacteroides fragilis' . . Bacteria . Bacteroides fragilis . . . . . . . . . . . . . . . . . . . . . 16161 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 16161 _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 $BfR257C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16161 _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 BfR257C '[U-99% 13C; U-99% 15N]' . . 1 $BfR257C . . 1.05 . . mM . . . . 16161 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16161 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16161 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16161 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16161 1 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16161 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16161 1 8 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16161 1 9 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16161 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16161 _Sample.ID 2 _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 BfR257C '[U-5% 13C; U-99% 15N]' . . 1 $BfR257C . . 0.77 . . mM . . . . 16161 2 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16161 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16161 2 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16161 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16161 2 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16161 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16161 2 8 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16161 2 9 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16161 2 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 16161 _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' 430 . mM 16161 1 pH 6.5 . pH 16161 1 pressure 1 . atm 16161 1 temperature 298 . K 16161 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16161 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16161 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16161 _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' . . 16161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16161 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16161 _Software.ID 3 _Software.Name NMRDraw _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' . . 16161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16161 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16161 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16161 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16161 _Software.ID 5 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 16161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16161 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16161 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16161 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16161 6 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 16161 _Software.ID 7 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart and Sykes' . . 16161 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16161 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16161 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16161 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16161 8 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16161 _Software.ID 9 _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' . . 16161 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16161 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16161 _Software.ID 10 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16161 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16161 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16161 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16161 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16161 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16161 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16161 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16161 12 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 16161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16161 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16161 _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 Varian INOVA . 600 . . . 16161 1 2 spectrometer_2 Varian INOVA . 750 . . . 16161 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 16161 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 3 '3D HNNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 4 '(4,3)D GFT HNNCABCA' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 5 '(4,3)D GFT CABCA(CO)NHN' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 6 '(4,3)D GFT HabCab(CO)NHN' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 7 '(4,3)D GFT HCCH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 8 '3D simultaneous NCaliCaro HH NOESY' yes . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16161 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 16161 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16161 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16161 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16161 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 16161 _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 '2D 1H-15N HSQC' . . . 16161 1 2 '2D 1H-13C HSQC' . . . 16161 1 8 '3D simultaneous NCaliCaro HH NOESY' . . . 16161 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $XEASY . . 16161 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 2 2 ASN H H 1 8.656 0.020 . 1 . . . . 2 ASN H . 16161 1 2 . 1 1 2 2 ASN HA H 1 4.748 0.020 . 1 . . . . 2 ASN HA . 16161 1 3 . 1 1 2 2 ASN HB2 H 1 2.813 0.020 . 2 . . . . 2 ASN HB2 . 16161 1 4 . 1 1 2 2 ASN HB3 H 1 2.704 0.020 . 2 . . . . 2 ASN HB3 . 16161 1 5 . 1 1 2 2 ASN HD21 H 1 7.588 0.020 . 2 . . . . 2 ASN HD21 . 16161 1 6 . 1 1 2 2 ASN HD22 H 1 6.944 0.020 . 2 . . . . 2 ASN HD22 . 16161 1 7 . 1 1 2 2 ASN CA C 13 53.178 0.400 . 1 . . . . 2 ASN CA . 16161 1 8 . 1 1 2 2 ASN CB C 13 38.873 0.400 . 1 . . . . 2 ASN CB . 16161 1 9 . 1 1 2 2 ASN N N 15 118.070 0.400 . 1 . . . . 2 ASN N . 16161 1 10 . 1 1 2 2 ASN ND2 N 15 113.008 0.400 . 1 . . . . 2 ASN ND2 . 16161 1 11 . 1 1 3 3 ASN H H 1 8.589 0.020 . 1 . . . . 3 ASN H . 16161 1 12 . 1 1 3 3 ASN HA H 1 4.765 0.020 . 1 . . . . 3 ASN HA . 16161 1 13 . 1 1 3 3 ASN HB2 H 1 2.885 0.020 . 2 . . . . 3 ASN HB2 . 16161 1 14 . 1 1 3 3 ASN HB3 H 1 2.691 0.020 . 2 . . . . 3 ASN HB3 . 16161 1 15 . 1 1 3 3 ASN HD21 H 1 7.671 0.020 . 2 . . . . 3 ASN HD21 . 16161 1 16 . 1 1 3 3 ASN HD22 H 1 6.984 0.020 . 2 . . . . 3 ASN HD22 . 16161 1 17 . 1 1 3 3 ASN CA C 13 53.430 0.400 . 1 . . . . 3 ASN CA . 16161 1 18 . 1 1 3 3 ASN CB C 13 38.893 0.400 . 1 . . . . 3 ASN CB . 16161 1 19 . 1 1 3 3 ASN N N 15 120.442 0.400 . 1 . . . . 3 ASN N . 16161 1 20 . 1 1 3 3 ASN ND2 N 15 113.481 0.400 . 1 . . . . 3 ASN ND2 . 16161 1 21 . 1 1 5 5 SER H H 1 8.602 0.020 . 1 . . . . 5 SER H . 16161 1 22 . 1 1 5 5 SER HA H 1 3.932 0.020 . 1 . . . . 5 SER HA . 16161 1 23 . 1 1 5 5 SER HB2 H 1 4.474 0.020 . 2 . . . . 5 SER HB2 . 16161 1 24 . 1 1 5 5 SER HB3 H 1 4.436 0.020 . 2 . . . . 5 SER HB3 . 16161 1 25 . 1 1 5 5 SER CA C 13 63.938 0.400 . 1 . . . . 5 SER CA . 16161 1 26 . 1 1 5 5 SER N N 15 115.512 0.400 . 1 . . . . 5 SER N . 16161 1 27 . 1 1 6 6 ASP H H 1 8.088 0.020 . 1 . . . . 6 ASP H . 16161 1 28 . 1 1 6 6 ASP HA H 1 4.401 0.020 . 1 . . . . 6 ASP HA . 16161 1 29 . 1 1 6 6 ASP HB2 H 1 2.428 0.020 . 2 . . . . 6 ASP HB2 . 16161 1 30 . 1 1 6 6 ASP HB3 H 1 2.369 0.020 . 2 . . . . 6 ASP HB3 . 16161 1 31 . 1 1 6 6 ASP CA C 13 54.933 0.400 . 1 . . . . 6 ASP CA . 16161 1 32 . 1 1 6 6 ASP CB C 13 40.842 0.400 . 1 . . . . 6 ASP CB . 16161 1 33 . 1 1 6 6 ASP N N 15 121.696 0.400 . 1 . . . . 6 ASP N . 16161 1 34 . 1 1 7 7 PHE H H 1 7.863 0.020 . 1 . . . . 7 PHE H . 16161 1 35 . 1 1 7 7 PHE HA H 1 4.887 0.020 . 1 . . . . 7 PHE HA . 16161 1 36 . 1 1 7 7 PHE HB2 H 1 3.303 0.020 . 2 . . . . 7 PHE HB2 . 16161 1 37 . 1 1 7 7 PHE HB3 H 1 2.823 0.020 . 2 . . . . 7 PHE HB3 . 16161 1 38 . 1 1 7 7 PHE HD1 H 1 7.132 0.020 . 1 . . . . 7 PHE HD1 . 16161 1 39 . 1 1 7 7 PHE HD2 H 1 7.132 0.020 . 1 . . . . 7 PHE HD2 . 16161 1 40 . 1 1 7 7 PHE HE1 H 1 7.524 0.020 . 1 . . . . 7 PHE HE1 . 16161 1 41 . 1 1 7 7 PHE HE2 H 1 7.524 0.020 . 1 . . . . 7 PHE HE2 . 16161 1 42 . 1 1 7 7 PHE HZ H 1 7.608 0.020 . 1 . . . . 7 PHE HZ . 16161 1 43 . 1 1 7 7 PHE CA C 13 56.975 0.400 . 1 . . . . 7 PHE CA . 16161 1 44 . 1 1 7 7 PHE CB C 13 41.126 0.400 . 1 . . . . 7 PHE CB . 16161 1 45 . 1 1 7 7 PHE CD1 C 13 131.656 0.400 . 1 . . . . 7 PHE CD1 . 16161 1 46 . 1 1 7 7 PHE CE1 C 13 131.779 0.400 . 1 . . . . 7 PHE CE1 . 16161 1 47 . 1 1 7 7 PHE CZ C 13 129.908 0.400 . 1 . . . . 7 PHE CZ . 16161 1 48 . 1 1 7 7 PHE N N 15 116.797 0.400 . 1 . . . . 7 PHE N . 16161 1 49 . 1 1 8 8 LYS H H 1 9.546 0.020 . 1 . . . . 8 LYS H . 16161 1 50 . 1 1 8 8 LYS HA H 1 4.310 0.020 . 1 . . . . 8 LYS HA . 16161 1 51 . 1 1 8 8 LYS HB2 H 1 1.990 0.020 . 2 . . . . 8 LYS HB2 . 16161 1 52 . 1 1 8 8 LYS HB3 H 1 1.907 0.020 . 2 . . . . 8 LYS HB3 . 16161 1 53 . 1 1 8 8 LYS HD2 H 1 1.738 0.020 . 2 . . . . 8 LYS HD2 . 16161 1 54 . 1 1 8 8 LYS HD3 H 1 1.735 0.020 . 2 . . . . 8 LYS HD3 . 16161 1 55 . 1 1 8 8 LYS HE2 H 1 3.056 0.020 . 2 . . . . 8 LYS HE2 . 16161 1 56 . 1 1 8 8 LYS HE3 H 1 3.053 0.020 . 2 . . . . 8 LYS HE3 . 16161 1 57 . 1 1 8 8 LYS HG2 H 1 1.587 0.020 . 2 . . . . 8 LYS HG2 . 16161 1 58 . 1 1 8 8 LYS HG3 H 1 1.530 0.020 . 2 . . . . 8 LYS HG3 . 16161 1 59 . 1 1 8 8 LYS CA C 13 57.110 0.400 . 1 . . . . 8 LYS CA . 16161 1 60 . 1 1 8 8 LYS CB C 13 32.534 0.400 . 1 . . . . 8 LYS CB . 16161 1 61 . 1 1 8 8 LYS CD C 13 28.780 0.400 . 1 . . . . 8 LYS CD . 16161 1 62 . 1 1 8 8 LYS CE C 13 41.780 0.400 . 1 . . . . 8 LYS CE . 16161 1 63 . 1 1 8 8 LYS CG C 13 24.894 0.400 . 1 . . . . 8 LYS CG . 16161 1 64 . 1 1 8 8 LYS N N 15 122.625 0.400 . 1 . . . . 8 LYS N . 16161 1 65 . 1 1 9 9 SER H H 1 7.728 0.020 . 1 . . . . 9 SER H . 16161 1 66 . 1 1 9 9 SER HA H 1 4.446 0.020 . 1 . . . . 9 SER HA . 16161 1 67 . 1 1 9 9 SER HB2 H 1 4.068 0.020 . 2 . . . . 9 SER HB2 . 16161 1 68 . 1 1 9 9 SER HB3 H 1 3.865 0.020 . 2 . . . . 9 SER HB3 . 16161 1 69 . 1 1 9 9 SER CA C 13 56.537 0.400 . 1 . . . . 9 SER CA . 16161 1 70 . 1 1 9 9 SER CB C 13 65.790 0.400 . 1 . . . . 9 SER CB . 16161 1 71 . 1 1 9 9 SER N N 15 109.727 0.400 . 1 . . . . 9 SER N . 16161 1 72 . 1 1 10 10 PHE H H 1 9.025 0.020 . 1 . . . . 10 PHE H . 16161 1 73 . 1 1 10 10 PHE HA H 1 3.336 0.020 . 1 . . . . 10 PHE HA . 16161 1 74 . 1 1 10 10 PHE HB2 H 1 2.118 0.020 . 2 . . . . 10 PHE HB2 . 16161 1 75 . 1 1 10 10 PHE HB3 H 1 1.682 0.020 . 2 . . . . 10 PHE HB3 . 16161 1 76 . 1 1 10 10 PHE HD1 H 1 6.839 0.020 . 1 . . . . 10 PHE HD1 . 16161 1 77 . 1 1 10 10 PHE HD2 H 1 6.839 0.020 . 1 . . . . 10 PHE HD2 . 16161 1 78 . 1 1 10 10 PHE HE1 H 1 7.202 0.020 . 1 . . . . 10 PHE HE1 . 16161 1 79 . 1 1 10 10 PHE HE2 H 1 7.202 0.020 . 1 . . . . 10 PHE HE2 . 16161 1 80 . 1 1 10 10 PHE CA C 13 60.433 0.400 . 1 . . . . 10 PHE CA . 16161 1 81 . 1 1 10 10 PHE CB C 13 39.808 0.400 . 1 . . . . 10 PHE CB . 16161 1 82 . 1 1 10 10 PHE CD1 C 13 131.661 0.400 . 1 . . . . 10 PHE CD1 . 16161 1 83 . 1 1 10 10 PHE CE1 C 13 130.480 0.400 . 1 . . . . 10 PHE CE1 . 16161 1 84 . 1 1 10 10 PHE N N 15 120.813 0.400 . 1 . . . . 10 PHE N . 16161 1 85 . 1 1 11 11 HIS H H 1 6.758 0.020 . 1 . . . . 11 HIS H . 16161 1 86 . 1 1 11 11 HIS HA H 1 4.121 0.020 . 1 . . . . 11 HIS HA . 16161 1 87 . 1 1 11 11 HIS HB2 H 1 3.095 0.020 . 2 . . . . 11 HIS HB2 . 16161 1 88 . 1 1 11 11 HIS HB3 H 1 2.986 0.020 . 2 . . . . 11 HIS HB3 . 16161 1 89 . 1 1 11 11 HIS CA C 13 57.742 0.400 . 1 . . . . 11 HIS CA . 16161 1 90 . 1 1 11 11 HIS CB C 13 29.867 0.400 . 1 . . . . 11 HIS CB . 16161 1 91 . 1 1 11 11 HIS N N 15 114.732 0.400 . 1 . . . . 11 HIS N . 16161 1 92 . 1 1 12 12 ASP H H 1 7.783 0.020 . 1 . . . . 12 ASP H . 16161 1 93 . 1 1 12 12 ASP HA H 1 4.520 0.020 . 1 . . . . 12 ASP HA . 16161 1 94 . 1 1 12 12 ASP HB2 H 1 3.094 0.020 . 2 . . . . 12 ASP HB2 . 16161 1 95 . 1 1 12 12 ASP HB3 H 1 2.909 0.020 . 2 . . . . 12 ASP HB3 . 16161 1 96 . 1 1 12 12 ASP CA C 13 56.938 0.400 . 1 . . . . 12 ASP CA . 16161 1 97 . 1 1 12 12 ASP CB C 13 41.412 0.400 . 1 . . . . 12 ASP CB . 16161 1 98 . 1 1 12 12 ASP N N 15 121.693 0.400 . 1 . . . . 12 ASP N . 16161 1 99 . 1 1 13 13 PHE H H 1 6.835 0.020 . 1 . . . . 13 PHE H . 16161 1 100 . 1 1 13 13 PHE HA H 1 3.197 0.020 . 1 . . . . 13 PHE HA . 16161 1 101 . 1 1 13 13 PHE HB2 H 1 2.891 0.020 . 2 . . . . 13 PHE HB2 . 16161 1 102 . 1 1 13 13 PHE HB3 H 1 2.440 0.020 . 2 . . . . 13 PHE HB3 . 16161 1 103 . 1 1 13 13 PHE HD1 H 1 6.733 0.020 . 1 . . . . 13 PHE HD1 . 16161 1 104 . 1 1 13 13 PHE HD2 H 1 6.733 0.020 . 1 . . . . 13 PHE HD2 . 16161 1 105 . 1 1 13 13 PHE CA C 13 59.917 0.400 . 1 . . . . 13 PHE CA . 16161 1 106 . 1 1 13 13 PHE CB C 13 37.604 0.400 . 1 . . . . 13 PHE CB . 16161 1 107 . 1 1 13 13 PHE CD1 C 13 132.063 0.400 . 1 . . . . 13 PHE CD1 . 16161 1 108 . 1 1 13 13 PHE N N 15 121.281 0.400 . 1 . . . . 13 PHE N . 16161 1 109 . 1 1 14 14 VAL H H 1 7.737 0.020 . 1 . . . . 14 VAL H . 16161 1 110 . 1 1 14 14 VAL HA H 1 2.742 0.020 . 1 . . . . 14 VAL HA . 16161 1 111 . 1 1 14 14 VAL HB H 1 1.946 0.020 . 1 . . . . 14 VAL HB . 16161 1 112 . 1 1 14 14 VAL HG11 H 1 0.391 0.020 . 2 . . . . 14 VAL HG1 . 16161 1 113 . 1 1 14 14 VAL HG12 H 1 0.391 0.020 . 2 . . . . 14 VAL HG1 . 16161 1 114 . 1 1 14 14 VAL HG13 H 1 0.391 0.020 . 2 . . . . 14 VAL HG1 . 16161 1 115 . 1 1 14 14 VAL HG21 H 1 0.337 0.020 . 2 . . . . 14 VAL HG2 . 16161 1 116 . 1 1 14 14 VAL HG22 H 1 0.337 0.020 . 2 . . . . 14 VAL HG2 . 16161 1 117 . 1 1 14 14 VAL HG23 H 1 0.337 0.020 . 2 . . . . 14 VAL HG2 . 16161 1 118 . 1 1 14 14 VAL CA C 13 66.391 0.400 . 1 . . . . 14 VAL CA . 16161 1 119 . 1 1 14 14 VAL CB C 13 31.386 0.400 . 1 . . . . 14 VAL CB . 16161 1 120 . 1 1 14 14 VAL CG1 C 13 24.021 0.400 . 1 . . . . 14 VAL CG1 . 16161 1 121 . 1 1 14 14 VAL CG2 C 13 20.310 0.400 . 1 . . . . 14 VAL CG2 . 16161 1 122 . 1 1 14 14 VAL N N 15 120.608 0.400 . 1 . . . . 14 VAL N . 16161 1 123 . 1 1 15 15 ALA H H 1 7.534 0.020 . 1 . . . . 15 ALA H . 16161 1 124 . 1 1 15 15 ALA HA H 1 3.992 0.020 . 1 . . . . 15 ALA HA . 16161 1 125 . 1 1 15 15 ALA HB1 H 1 1.488 0.020 . 1 . . . . 15 ALA HB . 16161 1 126 . 1 1 15 15 ALA HB2 H 1 1.488 0.020 . 1 . . . . 15 ALA HB . 16161 1 127 . 1 1 15 15 ALA HB3 H 1 1.488 0.020 . 1 . . . . 15 ALA HB . 16161 1 128 . 1 1 15 15 ALA CA C 13 54.990 0.400 . 1 . . . . 15 ALA CA . 16161 1 129 . 1 1 15 15 ALA CB C 13 17.922 0.400 . 1 . . . . 15 ALA CB . 16161 1 130 . 1 1 15 15 ALA N N 15 118.644 0.400 . 1 . . . . 15 ALA N . 16161 1 131 . 1 1 16 16 SER H H 1 7.247 0.020 . 1 . . . . 16 SER H . 16161 1 132 . 1 1 16 16 SER HA H 1 4.304 0.020 . 1 . . . . 16 SER HA . 16161 1 133 . 1 1 16 16 SER HB2 H 1 4.163 0.020 . 2 . . . . 16 SER HB2 . 16161 1 134 . 1 1 16 16 SER HB3 H 1 4.052 0.020 . 2 . . . . 16 SER HB3 . 16161 1 135 . 1 1 16 16 SER CA C 13 60.778 0.400 . 1 . . . . 16 SER CA . 16161 1 136 . 1 1 16 16 SER CB C 13 63.399 0.400 . 1 . . . . 16 SER CB . 16161 1 137 . 1 1 16 16 SER N N 15 111.591 0.400 . 1 . . . . 16 SER N . 16161 1 138 . 1 1 17 17 TYR H H 1 8.853 0.020 . 1 . . . . 17 TYR H . 16161 1 139 . 1 1 17 17 TYR HA H 1 4.186 0.020 . 1 . . . . 17 TYR HA . 16161 1 140 . 1 1 17 17 TYR HB2 H 1 2.430 0.020 . 2 . . . . 17 TYR HB2 . 16161 1 141 . 1 1 17 17 TYR HB3 H 1 2.402 0.020 . 2 . . . . 17 TYR HB3 . 16161 1 142 . 1 1 17 17 TYR HD1 H 1 7.060 0.020 . 1 . . . . 17 TYR HD1 . 16161 1 143 . 1 1 17 17 TYR HD2 H 1 7.060 0.020 . 1 . . . . 17 TYR HD2 . 16161 1 144 . 1 1 17 17 TYR HE1 H 1 6.463 0.020 . 1 . . . . 17 TYR HE1 . 16161 1 145 . 1 1 17 17 TYR HE2 H 1 6.463 0.020 . 1 . . . . 17 TYR HE2 . 16161 1 146 . 1 1 17 17 TYR CA C 13 61.465 0.400 . 1 . . . . 17 TYR CA . 16161 1 147 . 1 1 17 17 TYR CB C 13 38.461 0.400 . 1 . . . . 17 TYR CB . 16161 1 148 . 1 1 17 17 TYR CD1 C 13 132.533 0.400 . 1 . . . . 17 TYR CD1 . 16161 1 149 . 1 1 17 17 TYR CE1 C 13 117.810 0.400 . 1 . . . . 17 TYR CE1 . 16161 1 150 . 1 1 17 17 TYR N N 15 123.905 0.400 . 1 . . . . 17 TYR N . 16161 1 151 . 1 1 18 18 MET H H 1 9.332 0.020 . 1 . . . . 18 MET H . 16161 1 152 . 1 1 18 18 MET HA H 1 4.161 0.020 . 1 . . . . 18 MET HA . 16161 1 153 . 1 1 18 18 MET HB2 H 1 2.477 0.020 . 2 . . . . 18 MET HB2 . 16161 1 154 . 1 1 18 18 MET HB3 H 1 2.074 0.020 . 2 . . . . 18 MET HB3 . 16161 1 155 . 1 1 18 18 MET HE1 H 1 1.901 0.020 . 1 . . . . 18 MET HE . 16161 1 156 . 1 1 18 18 MET HE2 H 1 1.901 0.020 . 1 . . . . 18 MET HE . 16161 1 157 . 1 1 18 18 MET HE3 H 1 1.901 0.020 . 1 . . . . 18 MET HE . 16161 1 158 . 1 1 18 18 MET HG2 H 1 2.444 0.020 . 2 . . . . 18 MET HG2 . 16161 1 159 . 1 1 18 18 MET HG3 H 1 2.410 0.020 . 2 . . . . 18 MET HG3 . 16161 1 160 . 1 1 18 18 MET CA C 13 59.745 0.400 . 1 . . . . 18 MET CA . 16161 1 161 . 1 1 18 18 MET CB C 13 33.334 0.400 . 1 . . . . 18 MET CB . 16161 1 162 . 1 1 18 18 MET CE C 13 15.76 0.400 . 1 . . . . 18 MET CE . 16161 1 163 . 1 1 18 18 MET N N 15 117.792 0.400 . 1 . . . . 18 MET N . 16161 1 164 . 1 1 19 19 LYS H H 1 7.355 0.020 . 1 . . . . 19 LYS H . 16161 1 165 . 1 1 19 19 LYS HA H 1 4.074 0.020 . 1 . . . . 19 LYS HA . 16161 1 166 . 1 1 19 19 LYS HB2 H 1 2.022 0.020 . 2 . . . . 19 LYS HB2 . 16161 1 167 . 1 1 19 19 LYS HB3 H 1 2.017 0.020 . 2 . . . . 19 LYS HB3 . 16161 1 168 . 1 1 19 19 LYS HD2 H 1 1.759 0.020 . 2 . . . . 19 LYS HD2 . 16161 1 169 . 1 1 19 19 LYS HD3 H 1 1.749 0.020 . 2 . . . . 19 LYS HD3 . 16161 1 170 . 1 1 19 19 LYS HE2 H 1 3.037 0.020 . 2 . . . . 19 LYS HE2 . 16161 1 171 . 1 1 19 19 LYS HE3 H 1 2.988 0.020 . 2 . . . . 19 LYS HE3 . 16161 1 172 . 1 1 19 19 LYS HG2 H 1 1.518 0.020 . 2 . . . . 19 LYS HG2 . 16161 1 173 . 1 1 19 19 LYS HG3 H 1 1.517 0.020 . 2 . . . . 19 LYS HG3 . 16161 1 174 . 1 1 19 19 LYS CA C 13 59.516 0.400 . 1 . . . . 19 LYS CA . 16161 1 175 . 1 1 19 19 LYS CB C 13 32.131 0.400 . 1 . . . . 19 LYS CB . 16161 1 176 . 1 1 19 19 LYS CD C 13 24.903 0.400 . 1 . . . . 19 LYS CD . 16161 1 177 . 1 1 19 19 LYS CE C 13 41.780 0.400 . 1 . . . . 19 LYS CE . 16161 1 178 . 1 1 19 19 LYS CG C 13 24.900 0.400 . 1 . . . . 19 LYS CG . 16161 1 179 . 1 1 19 19 LYS N N 15 116.836 0.400 . 1 . . . . 19 LYS N . 16161 1 180 . 1 1 20 20 THR H H 1 7.286 0.020 . 1 . . . . 20 THR H . 16161 1 181 . 1 1 20 20 THR HA H 1 4.117 0.020 . 1 . . . . 20 THR HA . 16161 1 182 . 1 1 20 20 THR HB H 1 4.757 0.020 . 1 . . . . 20 THR HB . 16161 1 183 . 1 1 20 20 THR HG21 H 1 1.110 0.020 . 1 . . . . 20 THR HG2 . 16161 1 184 . 1 1 20 20 THR HG22 H 1 1.110 0.020 . 1 . . . . 20 THR HG2 . 16161 1 185 . 1 1 20 20 THR HG23 H 1 1.110 0.020 . 1 . . . . 20 THR HG2 . 16161 1 186 . 1 1 20 20 THR CA C 13 63.731 0.400 . 1 . . . . 20 THR CA . 16161 1 187 . 1 1 20 20 THR CB C 13 69.119 0.400 . 1 . . . . 20 THR CB . 16161 1 188 . 1 1 20 20 THR CG2 C 13 21.416 0.400 . 1 . . . . 20 THR CG2 . 16161 1 189 . 1 1 20 20 THR N N 15 111.084 0.400 . 1 . . . . 20 THR N . 16161 1 190 . 1 1 21 21 TYR H H 1 8.361 0.020 . 1 . . . . 21 TYR H . 16161 1 191 . 1 1 21 21 TYR HA H 1 4.068 0.020 . 1 . . . . 21 TYR HA . 16161 1 192 . 1 1 21 21 TYR HB2 H 1 2.543 0.020 . 2 . . . . 21 TYR HB2 . 16161 1 193 . 1 1 21 21 TYR HB3 H 1 2.496 0.020 . 2 . . . . 21 TYR HB3 . 16161 1 194 . 1 1 21 21 TYR HD1 H 1 6.880 0.020 . 1 . . . . 21 TYR HD1 . 16161 1 195 . 1 1 21 21 TYR HD2 H 1 6.880 0.020 . 1 . . . . 21 TYR HD2 . 16161 1 196 . 1 1 21 21 TYR HE1 H 1 6.714 0.020 . 1 . . . . 21 TYR HE1 . 16161 1 197 . 1 1 21 21 TYR HE2 H 1 6.714 0.020 . 1 . . . . 21 TYR HE2 . 16161 1 198 . 1 1 21 21 TYR CA C 13 60.380 0.400 . 1 . . . . 21 TYR CA . 16161 1 199 . 1 1 21 21 TYR CB C 13 39.393 0.400 . 1 . . . . 21 TYR CB . 16161 1 200 . 1 1 21 21 TYR CD1 C 13 132.540 0.400 . 1 . . . . 21 TYR CD1 . 16161 1 201 . 1 1 21 21 TYR CE1 C 13 117.711 0.400 . 1 . . . . 21 TYR CE1 . 16161 1 202 . 1 1 21 21 TYR N N 15 123.866 0.400 . 1 . . . . 21 TYR N . 16161 1 203 . 1 1 22 22 SER H H 1 8.051 0.020 . 1 . . . . 22 SER H . 16161 1 204 . 1 1 22 22 SER HA H 1 3.456 0.020 . 1 . . . . 22 SER HA . 16161 1 205 . 1 1 22 22 SER HB2 H 1 3.635 0.020 . 2 . . . . 22 SER HB2 . 16161 1 206 . 1 1 22 22 SER HB3 H 1 3.078 0.020 . 2 . . . . 22 SER HB3 . 16161 1 207 . 1 1 22 22 SER CA C 13 60.810 0.400 . 1 . . . . 22 SER CA . 16161 1 208 . 1 1 22 22 SER CB C 13 62.499 0.400 . 1 . . . . 22 SER CB . 16161 1 209 . 1 1 22 22 SER N N 15 110.361 0.400 . 1 . . . . 22 SER N . 16161 1 210 . 1 1 23 23 ARG H H 1 7.172 0.020 . 1 . . . . 23 ARG H . 16161 1 211 . 1 1 23 23 ARG HA H 1 3.998 0.020 . 1 . . . . 23 ARG HA . 16161 1 212 . 1 1 23 23 ARG HB2 H 1 1.865 0.020 . 2 . . . . 23 ARG HB2 . 16161 1 213 . 1 1 23 23 ARG HB3 H 1 1.739 0.020 . 2 . . . . 23 ARG HB3 . 16161 1 214 . 1 1 23 23 ARG HD2 H 1 3.185 0.020 . 2 . . . . 23 ARG HD2 . 16161 1 215 . 1 1 23 23 ARG HD3 H 1 3.187 0.020 . 2 . . . . 23 ARG HD3 . 16161 1 216 . 1 1 23 23 ARG HG2 H 1 1.650 0.020 . 2 . . . . 23 ARG HG2 . 16161 1 217 . 1 1 23 23 ARG HG3 H 1 1.643 0.020 . 2 . . . . 23 ARG HG3 . 16161 1 218 . 1 1 23 23 ARG CA C 13 57.466 0.400 . 1 . . . . 23 ARG CA . 16161 1 219 . 1 1 23 23 ARG CB C 13 29.652 0.400 . 1 . . . . 23 ARG CB . 16161 1 220 . 1 1 23 23 ARG CD C 13 42.997 0.400 . 1 . . . . 23 ARG CD . 16161 1 221 . 1 1 23 23 ARG CG C 13 27.081 0.400 . 1 . . . . 23 ARG CG . 16161 1 222 . 1 1 23 23 ARG N N 15 120.106 0.400 . 1 . . . . 23 ARG N . 16161 1 223 . 1 1 24 24 ARG H H 1 7.571 0.020 . 1 . . . . 24 ARG H . 16161 1 224 . 1 1 24 24 ARG HA H 1 4.314 0.020 . 1 . . . . 24 ARG HA . 16161 1 225 . 1 1 24 24 ARG HB2 H 1 1.853 0.020 . 2 . . . . 24 ARG HB2 . 16161 1 226 . 1 1 24 24 ARG HB3 H 1 1.615 0.020 . 2 . . . . 24 ARG HB3 . 16161 1 227 . 1 1 24 24 ARG HD2 H 1 3.024 0.020 . 2 . . . . 24 ARG HD2 . 16161 1 228 . 1 1 24 24 ARG HD3 H 1 3.026 0.020 . 2 . . . . 24 ARG HD3 . 16161 1 229 . 1 1 24 24 ARG HG2 H 1 1.507 0.020 . 2 . . . . 24 ARG HG2 . 16161 1 230 . 1 1 24 24 ARG HG3 H 1 1.459 0.020 . 2 . . . . 24 ARG HG3 . 16161 1 231 . 1 1 24 24 ARG CA C 13 55.255 0.400 . 1 . . . . 24 ARG CA . 16161 1 232 . 1 1 24 24 ARG CB C 13 30.014 0.400 . 1 . . . . 24 ARG CB . 16161 1 233 . 1 1 24 24 ARG CD C 13 43.260 0.400 . 1 . . . . 24 ARG CD . 16161 1 234 . 1 1 24 24 ARG CG C 13 26.392 0.400 . 1 . . . . 24 ARG CG . 16161 1 235 . 1 1 24 24 ARG N N 15 115.328 0.400 . 1 . . . . 24 ARG N . 16161 1 236 . 1 1 25 25 LEU H H 1 7.168 0.020 . 1 . . . . 25 LEU H . 16161 1 237 . 1 1 25 25 LEU HA H 1 4.436 0.020 . 1 . . . . 25 LEU HA . 16161 1 238 . 1 1 25 25 LEU HB2 H 1 1.592 0.020 . 2 . . . . 25 LEU HB2 . 16161 1 239 . 1 1 25 25 LEU HB3 H 1 1.332 0.020 . 2 . . . . 25 LEU HB3 . 16161 1 240 . 1 1 25 25 LEU HD11 H 1 0.641 0.020 . 2 . . . . 25 LEU HD1 . 16161 1 241 . 1 1 25 25 LEU HD12 H 1 0.641 0.020 . 2 . . . . 25 LEU HD1 . 16161 1 242 . 1 1 25 25 LEU HD13 H 1 0.641 0.020 . 2 . . . . 25 LEU HD1 . 16161 1 243 . 1 1 25 25 LEU HD21 H 1 0.401 0.020 . 2 . . . . 25 LEU HD2 . 16161 1 244 . 1 1 25 25 LEU HD22 H 1 0.401 0.020 . 2 . . . . 25 LEU HD2 . 16161 1 245 . 1 1 25 25 LEU HD23 H 1 0.401 0.020 . 2 . . . . 25 LEU HD2 . 16161 1 246 . 1 1 25 25 LEU HG H 1 1.544 0.020 . 1 . . . . 25 LEU HG . 16161 1 247 . 1 1 25 25 LEU CA C 13 53.584 0.400 . 1 . . . . 25 LEU CA . 16161 1 248 . 1 1 25 25 LEU CB C 13 43.869 0.400 . 1 . . . . 25 LEU CB . 16161 1 249 . 1 1 25 25 LEU CD1 C 13 21.837 0.400 . 1 . . . . 25 LEU CD1 . 16161 1 250 . 1 1 25 25 LEU CD2 C 13 24.462 0.400 . 1 . . . . 25 LEU CD2 . 16161 1 251 . 1 1 25 25 LEU CG C 13 26.271 0.400 . 1 . . . . 25 LEU CG . 16161 1 252 . 1 1 25 25 LEU N N 15 118.949 0.400 . 1 . . . . 25 LEU N . 16161 1 253 . 1 1 26 26 GLU H H 1 8.426 0.020 . 1 . . . . 26 GLU H . 16161 1 254 . 1 1 26 26 GLU HA H 1 4.328 0.020 . 1 . . . . 26 GLU HA . 16161 1 255 . 1 1 26 26 GLU HB2 H 1 2.277 0.020 . 2 . . . . 26 GLU HB2 . 16161 1 256 . 1 1 26 26 GLU HB3 H 1 2.089 0.020 . 2 . . . . 26 GLU HB3 . 16161 1 257 . 1 1 26 26 GLU HG2 H 1 2.493 0.020 . 2 . . . . 26 GLU HG2 . 16161 1 258 . 1 1 26 26 GLU HG3 H 1 2.438 0.020 . 2 . . . . 26 GLU HG3 . 16161 1 259 . 1 1 26 26 GLU CA C 13 56.261 0.400 . 1 . . . . 26 GLU CA . 16161 1 260 . 1 1 26 26 GLU CB C 13 29.823 0.400 . 1 . . . . 26 GLU CB . 16161 1 261 . 1 1 26 26 GLU CG C 13 36.281 0.400 . 1 . . . . 26 GLU CG . 16161 1 262 . 1 1 26 26 GLU N N 15 122.139 0.400 . 1 . . . . 26 GLU N . 16161 1 263 . 1 1 27 27 ILE H H 1 8.699 0.020 . 1 . . . . 27 ILE H . 16161 1 264 . 1 1 27 27 ILE HA H 1 4.114 0.020 . 1 . . . . 27 ILE HA . 16161 1 265 . 1 1 27 27 ILE HB H 1 1.970 0.020 . 1 . . . . 27 ILE HB . 16161 1 266 . 1 1 27 27 ILE HD11 H 1 1.013 0.020 . 1 . . . . 27 ILE HD1 . 16161 1 267 . 1 1 27 27 ILE HD12 H 1 1.013 0.020 . 1 . . . . 27 ILE HD1 . 16161 1 268 . 1 1 27 27 ILE HD13 H 1 1.013 0.020 . 1 . . . . 27 ILE HD1 . 16161 1 269 . 1 1 27 27 ILE HG12 H 1 1.543 0.020 . 2 . . . . 27 ILE HG12 . 16161 1 270 . 1 1 27 27 ILE HG13 H 1 1.377 0.020 . 2 . . . . 27 ILE HG13 . 16161 1 271 . 1 1 27 27 ILE HG21 H 1 1.039 0.020 . 1 . . . . 27 ILE HG2 . 16161 1 272 . 1 1 27 27 ILE HG22 H 1 1.039 0.020 . 1 . . . . 27 ILE HG2 . 16161 1 273 . 1 1 27 27 ILE HG23 H 1 1.039 0.020 . 1 . . . . 27 ILE HG2 . 16161 1 274 . 1 1 27 27 ILE CA C 13 64.048 0.400 . 1 . . . . 27 ILE CA . 16161 1 275 . 1 1 27 27 ILE CB C 13 37.862 0.400 . 1 . . . . 27 ILE CB . 16161 1 276 . 1 1 27 27 ILE CD1 C 13 13.410 0.400 . 1 . . . . 27 ILE CD1 . 16161 1 277 . 1 1 27 27 ILE CG1 C 13 28.820 0.400 . 1 . . . . 27 ILE CG1 . 16161 1 278 . 1 1 27 27 ILE CG2 C 13 17.360 0.400 . 1 . . . . 27 ILE CG2 . 16161 1 279 . 1 1 27 27 ILE N N 15 123.903 0.400 . 1 . . . . 27 ILE N . 16161 1 280 . 1 1 28 28 GLY H H 1 8.793 0.020 . 1 . . . . 28 GLY H . 16161 1 281 . 1 1 28 28 GLY HA2 H 1 4.016 0.020 . 2 . . . . 28 GLY HA2 . 16161 1 282 . 1 1 28 28 GLY HA3 H 1 4.005 0.020 . 2 . . . . 28 GLY HA3 . 16161 1 283 . 1 1 28 28 GLY CA C 13 45.330 0.400 . 1 . . . . 28 GLY CA . 16161 1 284 . 1 1 28 28 GLY N N 15 109.909 0.400 . 1 . . . . 28 GLY N . 16161 1 285 . 1 1 29 29 THR H H 1 7.619 0.020 . 1 . . . . 29 THR H . 16161 1 286 . 1 1 29 29 THR HA H 1 4.269 0.020 . 1 . . . . 29 THR HA . 16161 1 287 . 1 1 29 29 THR HB H 1 4.331 0.020 . 1 . . . . 29 THR HB . 16161 1 288 . 1 1 29 29 THR HG21 H 1 1.380 0.020 . 1 . . . . 29 THR HG2 . 16161 1 289 . 1 1 29 29 THR HG22 H 1 1.380 0.020 . 1 . . . . 29 THR HG2 . 16161 1 290 . 1 1 29 29 THR HG23 H 1 1.380 0.020 . 1 . . . . 29 THR HG2 . 16161 1 291 . 1 1 29 29 THR CA C 13 65.696 0.400 . 1 . . . . 29 THR CA . 16161 1 292 . 1 1 29 29 THR CB C 13 68.398 0.400 . 1 . . . . 29 THR CB . 16161 1 293 . 1 1 29 29 THR CG2 C 13 23.143 0.400 . 1 . . . . 29 THR CG2 . 16161 1 294 . 1 1 29 29 THR N N 15 119.569 0.400 . 1 . . . . 29 THR N . 16161 1 295 . 1 1 30 30 PHE H H 1 8.765 0.020 . 1 . . . . 30 PHE H . 16161 1 296 . 1 1 30 30 PHE HA H 1 4.248 0.020 . 1 . . . . 30 PHE HA . 16161 1 297 . 1 1 30 30 PHE HB2 H 1 3.268 0.020 . 2 . . . . 30 PHE HB2 . 16161 1 298 . 1 1 30 30 PHE HB3 H 1 3.138 0.020 . 2 . . . . 30 PHE HB3 . 16161 1 299 . 1 1 30 30 PHE HD1 H 1 7.173 0.020 . 1 . . . . 30 PHE HD1 . 16161 1 300 . 1 1 30 30 PHE HD2 H 1 7.173 0.020 . 1 . . . . 30 PHE HD2 . 16161 1 301 . 1 1 30 30 PHE HZ H 1 7.302 0.020 . 1 . . . . 30 PHE HZ . 16161 1 302 . 1 1 30 30 PHE CA C 13 59.772 0.400 . 1 . . . . 30 PHE CA . 16161 1 303 . 1 1 30 30 PHE CB C 13 38.199 0.400 . 1 . . . . 30 PHE CB . 16161 1 304 . 1 1 30 30 PHE CD1 C 13 131.380 0.400 . 1 . . . . 30 PHE CD1 . 16161 1 305 . 1 1 30 30 PHE N N 15 122.952 0.400 . 1 . . . . 30 PHE N . 16161 1 306 . 1 1 31 31 ARG H H 1 8.590 0.020 . 1 . . . . 31 ARG H . 16161 1 307 . 1 1 31 31 ARG HA H 1 3.709 0.020 . 1 . . . . 31 ARG HA . 16161 1 308 . 1 1 31 31 ARG HB2 H 1 1.983 0.020 . 2 . . . . 31 ARG HB2 . 16161 1 309 . 1 1 31 31 ARG HB3 H 1 1.928 0.020 . 2 . . . . 31 ARG HB3 . 16161 1 310 . 1 1 31 31 ARG HD2 H 1 3.209 0.020 . 2 . . . . 31 ARG HD2 . 16161 1 311 . 1 1 31 31 ARG HD3 H 1 3.204 0.020 . 2 . . . . 31 ARG HD3 . 16161 1 312 . 1 1 31 31 ARG HG2 H 1 1.917 0.020 . 2 . . . . 31 ARG HG2 . 16161 1 313 . 1 1 31 31 ARG HG3 H 1 1.649 0.020 . 2 . . . . 31 ARG HG3 . 16161 1 314 . 1 1 31 31 ARG CA C 13 60.204 0.400 . 1 . . . . 31 ARG CA . 16161 1 315 . 1 1 31 31 ARG CB C 13 29.551 0.400 . 1 . . . . 31 ARG CB . 16161 1 316 . 1 1 31 31 ARG CD C 13 43.325 0.400 . 1 . . . . 31 ARG CD . 16161 1 317 . 1 1 31 31 ARG CG C 13 28.033 0.400 . 1 . . . . 31 ARG CG . 16161 1 318 . 1 1 31 31 ARG N N 15 118.043 0.400 . 1 . . . . 31 ARG N . 16161 1 319 . 1 1 32 32 HIS H H 1 7.690 0.020 . 1 . . . . 32 HIS H . 16161 1 320 . 1 1 32 32 HIS HA H 1 4.564 0.020 . 1 . . . . 32 HIS HA . 16161 1 321 . 1 1 32 32 HIS HB2 H 1 3.120 0.020 . 2 . . . . 32 HIS HB2 . 16161 1 322 . 1 1 32 32 HIS HB3 H 1 3.110 0.020 . 2 . . . . 32 HIS HB3 . 16161 1 323 . 1 1 32 32 HIS CA C 13 56.370 0.400 . 1 . . . . 32 HIS CA . 16161 1 324 . 1 1 32 32 HIS CB C 13 29.950 0.400 . 1 . . . . 32 HIS CB . 16161 1 325 . 1 1 32 32 HIS N N 15 118.937 0.400 . 1 . . . . 32 HIS N . 16161 1 326 . 1 1 33 33 HIS H H 1 8.250 0.020 . 1 . . . . 33 HIS H . 16161 1 327 . 1 1 33 33 HIS HA H 1 4.999 0.020 . 1 . . . . 33 HIS HA . 16161 1 328 . 1 1 33 33 HIS HB2 H 1 3.681 0.020 . 2 . . . . 33 HIS HB2 . 16161 1 329 . 1 1 33 33 HIS HB3 H 1 3.657 0.020 . 2 . . . . 33 HIS HB3 . 16161 1 330 . 1 1 33 33 HIS CA C 13 56.841 0.400 . 1 . . . . 33 HIS CA . 16161 1 331 . 1 1 33 33 HIS CB C 13 30.560 0.400 . 1 . . . . 33 HIS CB . 16161 1 332 . 1 1 33 33 HIS N N 15 119.438 0.400 . 1 . . . . 33 HIS N . 16161 1 333 . 1 1 34 34 LYS H H 1 8.535 0.020 . 1 . . . . 34 LYS H . 16161 1 334 . 1 1 34 34 LYS HA H 1 3.657 0.020 . 1 . . . . 34 LYS HA . 16161 1 335 . 1 1 34 34 LYS HB2 H 1 1.597 0.020 . 2 . . . . 34 LYS HB2 . 16161 1 336 . 1 1 34 34 LYS HB3 H 1 1.574 0.020 . 2 . . . . 34 LYS HB3 . 16161 1 337 . 1 1 34 34 LYS HD2 H 1 1.460 0.020 . 2 . . . . 34 LYS HD2 . 16161 1 338 . 1 1 34 34 LYS HD3 H 1 1.459 0.020 . 2 . . . . 34 LYS HD3 . 16161 1 339 . 1 1 34 34 LYS HE2 H 1 2.750 0.020 . 2 . . . . 34 LYS HE2 . 16161 1 340 . 1 1 34 34 LYS HE3 H 1 2.753 0.020 . 2 . . . . 34 LYS HE3 . 16161 1 341 . 1 1 34 34 LYS HG2 H 1 1.178 0.020 . 2 . . . . 34 LYS HG2 . 16161 1 342 . 1 1 34 34 LYS HG3 H 1 1.175 0.020 . 2 . . . . 34 LYS HG3 . 16161 1 343 . 1 1 34 34 LYS CA C 13 59.938 0.400 . 1 . . . . 34 LYS CA . 16161 1 344 . 1 1 34 34 LYS CB C 13 31.894 0.400 . 1 . . . . 34 LYS CB . 16161 1 345 . 1 1 34 34 LYS CD C 13 29.280 0.400 . 1 . . . . 34 LYS CD . 16161 1 346 . 1 1 34 34 LYS CE C 13 41.520 0.400 . 1 . . . . 34 LYS CE . 16161 1 347 . 1 1 34 34 LYS CG C 13 24.638 0.400 . 1 . . . . 34 LYS CG . 16161 1 348 . 1 1 34 34 LYS N N 15 117.661 0.400 . 1 . . . . 34 LYS N . 16161 1 349 . 1 1 35 35 SER H H 1 7.841 0.020 . 1 . . . . 35 SER H . 16161 1 350 . 1 1 35 35 SER HA H 1 4.759 0.020 . 1 . . . . 35 SER HA . 16161 1 351 . 1 1 35 35 SER HB2 H 1 3.849 0.020 . 2 . . . . 35 SER HB2 . 16161 1 352 . 1 1 35 35 SER HB3 H 1 3.794 0.020 . 2 . . . . 35 SER HB3 . 16161 1 353 . 1 1 35 35 SER CA C 13 58.570 0.400 . 1 . . . . 35 SER CA . 16161 1 354 . 1 1 35 35 SER CB C 13 63.800 0.400 . 1 . . . . 35 SER CB . 16161 1 355 . 1 1 35 35 SER N N 15 113.843 0.400 . 1 . . . . 35 SER N . 16161 1 356 . 1 1 36 36 CYS H H 1 8.677 0.020 . 1 . . . . 36 CYS H . 16161 1 357 . 1 1 36 36 CYS HA H 1 4.115 0.020 . 1 . . . . 36 CYS HA . 16161 1 358 . 1 1 36 36 CYS HB2 H 1 2.127 0.020 . 2 . . . . 36 CYS HB2 . 16161 1 359 . 1 1 36 36 CYS HB3 H 1 2.086 0.020 . 2 . . . . 36 CYS HB3 . 16161 1 360 . 1 1 36 36 CYS CA C 13 58.990 0.400 . 1 . . . . 36 CYS CA . 16161 1 361 . 1 1 36 36 CYS CB C 13 31.495 0.400 . 1 . . . . 36 CYS CB . 16161 1 362 . 1 1 36 36 CYS N N 15 120.588 0.400 . 1 . . . . 36 CYS N . 16161 1 363 . 1 1 37 37 MET H H 1 7.897 0.020 . 1 . . . . 37 MET H . 16161 1 364 . 1 1 37 37 MET HA H 1 4.493 0.020 . 1 . . . . 37 MET HA . 16161 1 365 . 1 1 37 37 MET HB2 H 1 3.266 0.020 . 2 . . . . 37 MET HB2 . 16161 1 366 . 1 1 37 37 MET HB3 H 1 3.149 0.020 . 2 . . . . 37 MET HB3 . 16161 1 367 . 1 1 37 37 MET HE1 H 1 2.140 0.020 . 1 . . . . 37 MET HE . 16161 1 368 . 1 1 37 37 MET HE2 H 1 2.140 0.020 . 1 . . . . 37 MET HE . 16161 1 369 . 1 1 37 37 MET HE3 H 1 2.140 0.020 . 1 . . . . 37 MET HE . 16161 1 370 . 1 1 37 37 MET HG2 H 1 2.440 0.020 . 2 . . . . 37 MET HG2 . 16161 1 371 . 1 1 37 37 MET HG3 H 1 2.410 0.020 . 2 . . . . 37 MET HG3 . 16161 1 372 . 1 1 37 37 MET CA C 13 59.489 0.400 . 1 . . . . 37 MET CA . 16161 1 373 . 1 1 37 37 MET CB C 13 39.335 0.400 . 1 . . . . 37 MET CB . 16161 1 374 . 1 1 37 37 MET CE C 13 16.20 0.400 . 1 . . . . 37 MET CE . 16161 1 375 . 1 1 37 37 MET CG C 13 32.070 0.400 . 1 . . . . 37 MET CG . 16161 1 376 . 1 1 37 37 MET N N 15 119.661 0.400 . 1 . . . . 37 MET N . 16161 1 377 . 1 1 38 38 ARG H H 1 7.750 0.020 . 1 . . . . 38 ARG H . 16161 1 378 . 1 1 38 38 ARG HA H 1 1.777 0.020 . 1 . . . . 38 ARG HA . 16161 1 379 . 1 1 38 38 ARG HB2 H 1 1.889 0.020 . 2 . . . . 38 ARG HB2 . 16161 1 380 . 1 1 38 38 ARG HB3 H 1 1.294 0.020 . 2 . . . . 38 ARG HB3 . 16161 1 381 . 1 1 38 38 ARG HD2 H 1 3.130 0.020 . 2 . . . . 38 ARG HD2 . 16161 1 382 . 1 1 38 38 ARG HD3 H 1 3.130 0.020 . 2 . . . . 38 ARG HD3 . 16161 1 383 . 1 1 38 38 ARG HG2 H 1 1.509 0.020 . 2 . . . . 38 ARG HG2 . 16161 1 384 . 1 1 38 38 ARG HG3 H 1 1.506 0.020 . 2 . . . . 38 ARG HG3 . 16161 1 385 . 1 1 38 38 ARG CA C 13 58.667 0.400 . 1 . . . . 38 ARG CA . 16161 1 386 . 1 1 38 38 ARG CB C 13 31.883 0.400 . 1 . . . . 38 ARG CB . 16161 1 387 . 1 1 38 38 ARG N N 15 121.116 0.400 . 1 . . . . 38 ARG N . 16161 1 388 . 1 1 39 39 LYS H H 1 7.953 0.020 . 1 . . . . 39 LYS H . 16161 1 389 . 1 1 39 39 LYS HA H 1 3.886 0.020 . 1 . . . . 39 LYS HA . 16161 1 390 . 1 1 39 39 LYS HB2 H 1 2.059 0.020 . 2 . . . . 39 LYS HB2 . 16161 1 391 . 1 1 39 39 LYS HB3 H 1 2.055 0.020 . 2 . . . . 39 LYS HB3 . 16161 1 392 . 1 1 39 39 LYS HD2 H 1 1.610 0.020 . 2 . . . . 39 LYS HD2 . 16161 1 393 . 1 1 39 39 LYS HD3 H 1 1.610 0.020 . 2 . . . . 39 LYS HD3 . 16161 1 394 . 1 1 39 39 LYS HE2 H 1 2.930 0.020 . 2 . . . . 39 LYS HE2 . 16161 1 395 . 1 1 39 39 LYS HE3 H 1 2.930 0.020 . 2 . . . . 39 LYS HE3 . 16161 1 396 . 1 1 39 39 LYS HG2 H 1 1.380 0.020 . 2 . . . . 39 LYS HG2 . 16161 1 397 . 1 1 39 39 LYS HG3 H 1 1.370 0.020 . 2 . . . . 39 LYS HG3 . 16161 1 398 . 1 1 39 39 LYS CA C 13 58.256 0.400 . 1 . . . . 39 LYS CA . 16161 1 399 . 1 1 39 39 LYS CB C 13 29.266 0.400 . 1 . . . . 39 LYS CB . 16161 1 400 . 1 1 39 39 LYS CE C 13 41.780 0.400 . 1 . . . . 39 LYS CE . 16161 1 401 . 1 1 39 39 LYS N N 15 114.544 0.400 . 1 . . . . 39 LYS N . 16161 1 402 . 1 1 40 40 PHE H H 1 7.528 0.020 . 1 . . . . 40 PHE H . 16161 1 403 . 1 1 40 40 PHE HA H 1 4.172 0.020 . 1 . . . . 40 PHE HA . 16161 1 404 . 1 1 40 40 PHE HB2 H 1 3.192 0.020 . 2 . . . . 40 PHE HB2 . 16161 1 405 . 1 1 40 40 PHE HB3 H 1 3.068 0.020 . 2 . . . . 40 PHE HB3 . 16161 1 406 . 1 1 40 40 PHE HD1 H 1 6.434 0.020 . 1 . . . . 40 PHE HD1 . 16161 1 407 . 1 1 40 40 PHE HD2 H 1 6.434 0.020 . 1 . . . . 40 PHE HD2 . 16161 1 408 . 1 1 40 40 PHE HE1 H 1 6.950 0.020 . 1 . . . . 40 PHE HE1 . 16161 1 409 . 1 1 40 40 PHE HE2 H 1 6.950 0.020 . 1 . . . . 40 PHE HE2 . 16161 1 410 . 1 1 40 40 PHE CA C 13 59.676 0.400 . 1 . . . . 40 PHE CA . 16161 1 411 . 1 1 40 40 PHE CB C 13 39.088 0.400 . 1 . . . . 40 PHE CB . 16161 1 412 . 1 1 40 40 PHE CD1 C 13 131.380 0.400 . 1 . . . . 40 PHE CD1 . 16161 1 413 . 1 1 40 40 PHE CE1 C 13 130.480 0.400 . 1 . . . . 40 PHE CE1 . 16161 1 414 . 1 1 40 40 PHE N N 15 118.644 0.400 . 1 . . . . 40 PHE N . 16161 1 415 . 1 1 41 41 LYS H H 1 7.190 0.020 . 1 . . . . 41 LYS H . 16161 1 416 . 1 1 41 41 LYS HA H 1 4.489 0.020 . 1 . . . . 41 LYS HA . 16161 1 417 . 1 1 41 41 LYS HD2 H 1 1.765 0.020 . 2 . . . . 41 LYS HD2 . 16161 1 418 . 1 1 41 41 LYS HD3 H 1 1.699 0.020 . 2 . . . . 41 LYS HD3 . 16161 1 419 . 1 1 41 41 LYS HE2 H 1 2.930 0.020 . 2 . . . . 41 LYS HE2 . 16161 1 420 . 1 1 41 41 LYS HE3 H 1 2.930 0.020 . 2 . . . . 41 LYS HE3 . 16161 1 421 . 1 1 41 41 LYS HG2 H 1 1.503 0.020 . 2 . . . . 41 LYS HG2 . 16161 1 422 . 1 1 41 41 LYS HG3 H 1 1.441 0.020 . 2 . . . . 41 LYS HG3 . 16161 1 423 . 1 1 41 41 LYS CA C 13 56.409 0.400 . 1 . . . . 41 LYS CA . 16161 1 424 . 1 1 41 41 LYS CG C 13 25.153 0.400 . 1 . . . . 41 LYS CG . 16161 1 425 . 1 1 41 41 LYS N N 15 116.322 0.400 . 1 . . . . 41 LYS N . 16161 1 426 . 1 1 42 42 GLU H H 1 8.948 0.020 . 1 . . . . 42 GLU H . 16161 1 427 . 1 1 42 42 GLU HA H 1 4.033 0.020 . 1 . . . . 42 GLU HA . 16161 1 428 . 1 1 42 42 GLU HB2 H 1 1.946 0.020 . 2 . . . . 42 GLU HB2 . 16161 1 429 . 1 1 42 42 GLU HB3 H 1 1.862 0.020 . 2 . . . . 42 GLU HB3 . 16161 1 430 . 1 1 42 42 GLU HG2 H 1 2.245 0.020 . 2 . . . . 42 GLU HG2 . 16161 1 431 . 1 1 42 42 GLU HG3 H 1 2.239 0.020 . 2 . . . . 42 GLU HG3 . 16161 1 432 . 1 1 42 42 GLU CA C 13 59.461 0.400 . 1 . . . . 42 GLU CA . 16161 1 433 . 1 1 42 42 GLU CB C 13 29.266 0.400 . 1 . . . . 42 GLU CB . 16161 1 434 . 1 1 42 42 GLU CG C 13 35.399 0.400 . 1 . . . . 42 GLU CG . 16161 1 435 . 1 1 42 42 GLU N N 15 130.152 0.400 . 1 . . . . 42 GLU N . 16161 1 436 . 1 1 46 46 GLY H H 1 8.946 0.020 . 1 . . . . 46 GLY H . 16161 1 437 . 1 1 46 46 GLY HA2 H 1 4.140 0.020 . 2 . . . . 46 GLY HA2 . 16161 1 438 . 1 1 46 46 GLY HA3 H 1 3.722 0.020 . 2 . . . . 46 GLY HA3 . 16161 1 439 . 1 1 46 46 GLY CA C 13 44.733 0.400 . 1 . . . . 46 GLY CA . 16161 1 440 . 1 1 46 46 GLY N N 15 107.206 0.400 . 1 . . . . 46 GLY N . 16161 1 441 . 1 1 47 47 LEU H H 1 7.080 0.020 . 1 . . . . 47 LEU H . 16161 1 442 . 1 1 47 47 LEU HA H 1 3.861 0.020 . 1 . . . . 47 LEU HA . 16161 1 443 . 1 1 47 47 LEU HB2 H 1 1.519 0.020 . 2 . . . . 47 LEU HB2 . 16161 1 444 . 1 1 47 47 LEU HB3 H 1 1.307 0.020 . 2 . . . . 47 LEU HB3 . 16161 1 445 . 1 1 47 47 LEU HD11 H 1 0.180 0.020 . 2 . . . . 47 LEU HD1 . 16161 1 446 . 1 1 47 47 LEU HD12 H 1 0.180 0.020 . 2 . . . . 47 LEU HD1 . 16161 1 447 . 1 1 47 47 LEU HD13 H 1 0.180 0.020 . 2 . . . . 47 LEU HD1 . 16161 1 448 . 1 1 47 47 LEU HD21 H 1 0.052 0.020 . 2 . . . . 47 LEU HD2 . 16161 1 449 . 1 1 47 47 LEU HD22 H 1 0.052 0.020 . 2 . . . . 47 LEU HD2 . 16161 1 450 . 1 1 47 47 LEU HD23 H 1 0.052 0.020 . 2 . . . . 47 LEU HD2 . 16161 1 451 . 1 1 47 47 LEU HG H 1 0.958 0.020 . 1 . . . . 47 LEU HG . 16161 1 452 . 1 1 47 47 LEU CA C 13 56.056 0.400 . 1 . . . . 47 LEU CA . 16161 1 453 . 1 1 47 47 LEU CB C 13 43.632 0.400 . 1 . . . . 47 LEU CB . 16161 1 454 . 1 1 47 47 LEU CD1 C 13 26.687 0.400 . 1 . . . . 47 LEU CD1 . 16161 1 455 . 1 1 47 47 LEU CD2 C 13 23.178 0.400 . 1 . . . . 47 LEU CD2 . 16161 1 456 . 1 1 47 47 LEU CG C 13 26.770 0.400 . 1 . . . . 47 LEU CG . 16161 1 457 . 1 1 47 47 LEU N N 15 121.164 0.400 . 1 . . . . 47 LEU N . 16161 1 458 . 1 1 48 48 GLN H H 1 8.868 0.020 . 1 . . . . 48 GLN H . 16161 1 459 . 1 1 48 48 GLN HA H 1 4.436 0.020 . 1 . . . . 48 GLN HA . 16161 1 460 . 1 1 48 48 GLN HB2 H 1 2.292 0.020 . 2 . . . . 48 GLN HB2 . 16161 1 461 . 1 1 48 48 GLN HB3 H 1 1.253 0.020 . 2 . . . . 48 GLN HB3 . 16161 1 462 . 1 1 48 48 GLN HE21 H 1 7.581 0.020 . 2 . . . . 48 GLN HE21 . 16161 1 463 . 1 1 48 48 GLN HE22 H 1 7.333 0.020 . 2 . . . . 48 GLN HE22 . 16161 1 464 . 1 1 48 48 GLN HG2 H 1 2.475 0.020 . 2 . . . . 48 GLN HG2 . 16161 1 465 . 1 1 48 48 GLN HG3 H 1 2.469 0.020 . 2 . . . . 48 GLN HG3 . 16161 1 466 . 1 1 48 48 GLN CA C 13 53.215 0.400 . 1 . . . . 48 GLN CA . 16161 1 467 . 1 1 48 48 GLN CB C 13 31.409 0.400 . 1 . . . . 48 GLN CB . 16161 1 468 . 1 1 48 48 GLN CG C 13 34.109 0.400 . 1 . . . . 48 GLN CG . 16161 1 469 . 1 1 48 48 GLN N N 15 127.303 0.400 . 1 . . . . 48 GLN N . 16161 1 470 . 1 1 48 48 GLN NE2 N 15 115.850 0.400 . 1 . . . . 48 GLN NE2 . 16161 1 471 . 1 1 49 49 PHE H H 1 8.150 0.020 . 1 . . . . 49 PHE H . 16161 1 472 . 1 1 49 49 PHE HA H 1 3.961 0.020 . 1 . . . . 49 PHE HA . 16161 1 473 . 1 1 49 49 PHE HB2 H 1 3.301 0.020 . 2 . . . . 49 PHE HB2 . 16161 1 474 . 1 1 49 49 PHE HB3 H 1 3.232 0.020 . 2 . . . . 49 PHE HB3 . 16161 1 475 . 1 1 49 49 PHE HD1 H 1 7.501 0.020 . 1 . . . . 49 PHE HD1 . 16161 1 476 . 1 1 49 49 PHE HD2 H 1 7.501 0.020 . 1 . . . . 49 PHE HD2 . 16161 1 477 . 1 1 49 49 PHE CA C 13 63.188 0.400 . 1 . . . . 49 PHE CA . 16161 1 478 . 1 1 49 49 PHE CB C 13 39.226 0.400 . 1 . . . . 49 PHE CB . 16161 1 479 . 1 1 49 49 PHE CD1 C 13 132.074 0.400 . 1 . . . . 49 PHE CD1 . 16161 1 480 . 1 1 49 49 PHE N N 15 118.228 0.400 . 1 . . . . 49 PHE N . 16161 1 481 . 1 1 50 50 HIS H H 1 8.120 0.020 . 1 . . . . 50 HIS H . 16161 1 482 . 1 1 50 50 HIS HA H 1 4.508 0.020 . 1 . . . . 50 HIS HA . 16161 1 483 . 1 1 50 50 HIS HB2 H 1 3.335 0.020 . 2 . . . . 50 HIS HB2 . 16161 1 484 . 1 1 50 50 HIS HB3 H 1 3.114 0.020 . 2 . . . . 50 HIS HB3 . 16161 1 485 . 1 1 50 50 HIS CA C 13 57.710 0.400 . 1 . . . . 50 HIS CA . 16161 1 486 . 1 1 50 50 HIS CB C 13 29.239 0.400 . 1 . . . . 50 HIS CB . 16161 1 487 . 1 1 50 50 HIS N N 15 110.193 0.400 . 1 . . . . 50 HIS N . 16161 1 488 . 1 1 51 51 GLU H H 1 6.979 0.020 . 1 . . . . 51 GLU H . 16161 1 489 . 1 1 51 51 GLU HA H 1 4.010 0.020 . 1 . . . . 51 GLU HA . 16161 1 490 . 1 1 51 51 GLU HB2 H 1 1.913 0.020 . 2 . . . . 51 GLU HB2 . 16161 1 491 . 1 1 51 51 GLU HB3 H 1 1.753 0.020 . 2 . . . . 51 GLU HB3 . 16161 1 492 . 1 1 51 51 GLU HG2 H 1 1.904 0.020 . 2 . . . . 51 GLU HG2 . 16161 1 493 . 1 1 51 51 GLU HG3 H 1 1.266 0.020 . 2 . . . . 51 GLU HG3 . 16161 1 494 . 1 1 51 51 GLU CA C 13 55.111 0.400 . 1 . . . . 51 GLU CA . 16161 1 495 . 1 1 51 51 GLU CB C 13 30.625 0.400 . 1 . . . . 51 GLU CB . 16161 1 496 . 1 1 51 51 GLU CG C 13 36.708 0.400 . 1 . . . . 51 GLU CG . 16161 1 497 . 1 1 51 51 GLU N N 15 118.123 0.400 . 1 . . . . 51 GLU N . 16161 1 498 . 1 1 52 52 LEU H H 1 6.968 0.020 . 1 . . . . 52 LEU H . 16161 1 499 . 1 1 52 52 LEU HA H 1 3.831 0.020 . 1 . . . . 52 LEU HA . 16161 1 500 . 1 1 52 52 LEU HB2 H 1 1.944 0.020 . 2 . . . . 52 LEU HB2 . 16161 1 501 . 1 1 52 52 LEU HB3 H 1 0.864 0.020 . 2 . . . . 52 LEU HB3 . 16161 1 502 . 1 1 52 52 LEU HD11 H 1 0.295 0.020 . 2 . . . . 52 LEU HD1 . 16161 1 503 . 1 1 52 52 LEU HD12 H 1 0.295 0.020 . 2 . . . . 52 LEU HD1 . 16161 1 504 . 1 1 52 52 LEU HD13 H 1 0.295 0.020 . 2 . . . . 52 LEU HD1 . 16161 1 505 . 1 1 52 52 LEU HD21 H 1 0.181 0.020 . 2 . . . . 52 LEU HD2 . 16161 1 506 . 1 1 52 52 LEU HD22 H 1 0.181 0.020 . 2 . . . . 52 LEU HD2 . 16161 1 507 . 1 1 52 52 LEU HD23 H 1 0.181 0.020 . 2 . . . . 52 LEU HD2 . 16161 1 508 . 1 1 52 52 LEU HG H 1 1.287 0.020 . 1 . . . . 52 LEU HG . 16161 1 509 . 1 1 52 52 LEU CA C 13 54.679 0.400 . 1 . . . . 52 LEU CA . 16161 1 510 . 1 1 52 52 LEU CB C 13 38.872 0.400 . 1 . . . . 52 LEU CB . 16161 1 511 . 1 1 52 52 LEU CD1 C 13 24.516 0.400 . 1 . . . . 52 LEU CD1 . 16161 1 512 . 1 1 52 52 LEU CD2 C 13 26.661 0.400 . 1 . . . . 52 LEU CD2 . 16161 1 513 . 1 1 52 52 LEU CG C 13 27.959 0.400 . 1 . . . . 52 LEU CG . 16161 1 514 . 1 1 52 52 LEU N N 15 122.875 0.400 . 1 . . . . 52 LEU N . 16161 1 515 . 1 1 53 53 THR H H 1 7.274 0.020 . 1 . . . . 53 THR H . 16161 1 516 . 1 1 53 53 THR HA H 1 4.545 0.020 . 1 . . . . 53 THR HA . 16161 1 517 . 1 1 53 53 THR HB H 1 4.771 0.020 . 1 . . . . 53 THR HB . 16161 1 518 . 1 1 53 53 THR HG21 H 1 1.176 0.020 . 1 . . . . 53 THR HG2 . 16161 1 519 . 1 1 53 53 THR HG22 H 1 1.176 0.020 . 1 . . . . 53 THR HG2 . 16161 1 520 . 1 1 53 53 THR HG23 H 1 1.176 0.020 . 1 . . . . 53 THR HG2 . 16161 1 521 . 1 1 53 53 THR CA C 13 59.354 0.400 . 1 . . . . 53 THR CA . 16161 1 522 . 1 1 53 53 THR CB C 13 72.568 0.400 . 1 . . . . 53 THR CB . 16161 1 523 . 1 1 53 53 THR CG2 C 13 21.440 0.400 . 1 . . . . 53 THR CG2 . 16161 1 524 . 1 1 53 53 THR N N 15 114.569 0.400 . 1 . . . . 53 THR N . 16161 1 525 . 1 1 54 54 GLU H H 1 9.308 0.020 . 1 . . . . 54 GLU H . 16161 1 526 . 1 1 54 54 GLU HA H 1 3.919 0.020 . 1 . . . . 54 GLU HA . 16161 1 527 . 1 1 54 54 GLU HB2 H 1 2.239 0.020 . 2 . . . . 54 GLU HB2 . 16161 1 528 . 1 1 54 54 GLU HB3 H 1 2.101 0.020 . 2 . . . . 54 GLU HB3 . 16161 1 529 . 1 1 54 54 GLU HG2 H 1 2.424 0.020 . 2 . . . . 54 GLU HG2 . 16161 1 530 . 1 1 54 54 GLU HG3 H 1 2.246 0.020 . 2 . . . . 54 GLU HG3 . 16161 1 531 . 1 1 54 54 GLU CA C 13 60.156 0.400 . 1 . . . . 54 GLU CA . 16161 1 532 . 1 1 54 54 GLU CB C 13 29.429 0.400 . 1 . . . . 54 GLU CB . 16161 1 533 . 1 1 54 54 GLU CG C 13 35.832 0.400 . 1 . . . . 54 GLU CG . 16161 1 534 . 1 1 54 54 GLU N N 15 121.281 0.400 . 1 . . . . 54 GLU N . 16161 1 535 . 1 1 55 55 ASP H H 1 8.220 0.020 . 1 . . . . 55 ASP H . 16161 1 536 . 1 1 55 55 ASP HA H 1 4.310 0.020 . 1 . . . . 55 ASP HA . 16161 1 537 . 1 1 55 55 ASP HB2 H 1 2.749 0.020 . 2 . . . . 55 ASP HB2 . 16161 1 538 . 1 1 55 55 ASP HB3 H 1 2.571 0.020 . 2 . . . . 55 ASP HB3 . 16161 1 539 . 1 1 55 55 ASP CA C 13 57.237 0.400 . 1 . . . . 55 ASP CA . 16161 1 540 . 1 1 55 55 ASP CB C 13 40.265 0.400 . 1 . . . . 55 ASP CB . 16161 1 541 . 1 1 55 55 ASP N N 15 117.708 0.400 . 1 . . . . 55 ASP N . 16161 1 542 . 1 1 56 56 PHE H H 1 7.869 0.020 . 1 . . . . 56 PHE H . 16161 1 543 . 1 1 56 56 PHE HA H 1 4.236 0.020 . 1 . . . . 56 PHE HA . 16161 1 544 . 1 1 56 56 PHE HB2 H 1 3.444 0.020 . 2 . . . . 56 PHE HB2 . 16161 1 545 . 1 1 56 56 PHE HB3 H 1 3.438 0.020 . 2 . . . . 56 PHE HB3 . 16161 1 546 . 1 1 56 56 PHE HD1 H 1 7.172 0.020 . 1 . . . . 56 PHE HD1 . 16161 1 547 . 1 1 56 56 PHE HD2 H 1 7.172 0.020 . 1 . . . . 56 PHE HD2 . 16161 1 548 . 1 1 56 56 PHE HE1 H 1 7.308 0.020 . 1 . . . . 56 PHE HE1 . 16161 1 549 . 1 1 56 56 PHE HE2 H 1 7.308 0.020 . 1 . . . . 56 PHE HE2 . 16161 1 550 . 1 1 56 56 PHE CA C 13 61.453 0.400 . 1 . . . . 56 PHE CA . 16161 1 551 . 1 1 56 56 PHE CB C 13 39.785 0.400 . 1 . . . . 56 PHE CB . 16161 1 552 . 1 1 56 56 PHE CD1 C 13 131.224 0.400 . 1 . . . . 56 PHE CD1 . 16161 1 553 . 1 1 56 56 PHE CE1 C 13 131.198 0.400 . 1 . . . . 56 PHE CE1 . 16161 1 554 . 1 1 56 56 PHE N N 15 121.467 0.400 . 1 . . . . 56 PHE N . 16161 1 555 . 1 1 57 57 LEU H H 1 8.144 0.020 . 1 . . . . 57 LEU H . 16161 1 556 . 1 1 57 57 LEU HA H 1 4.015 0.020 . 1 . . . . 57 LEU HA . 16161 1 557 . 1 1 57 57 LEU HB2 H 1 1.806 0.020 . 2 . . . . 57 LEU HB2 . 16161 1 558 . 1 1 57 57 LEU HB3 H 1 1.794 0.020 . 2 . . . . 57 LEU HB3 . 16161 1 559 . 1 1 57 57 LEU HD11 H 1 0.581 0.020 . 2 . . . . 57 LEU HD1 . 16161 1 560 . 1 1 57 57 LEU HD12 H 1 0.581 0.020 . 2 . . . . 57 LEU HD1 . 16161 1 561 . 1 1 57 57 LEU HD13 H 1 0.581 0.020 . 2 . . . . 57 LEU HD1 . 16161 1 562 . 1 1 57 57 LEU HD21 H 1 -0.050 0.020 . 2 . . . . 57 LEU HD2 . 16161 1 563 . 1 1 57 57 LEU HD22 H 1 -0.050 0.020 . 2 . . . . 57 LEU HD2 . 16161 1 564 . 1 1 57 57 LEU HD23 H 1 -0.050 0.020 . 2 . . . . 57 LEU HD2 . 16161 1 565 . 1 1 57 57 LEU HG H 1 1.626 0.020 . 1 . . . . 57 LEU HG . 16161 1 566 . 1 1 57 57 LEU CA C 13 57.448 0.400 . 1 . . . . 57 LEU CA . 16161 1 567 . 1 1 57 57 LEU CB C 13 41.958 0.400 . 1 . . . . 57 LEU CB . 16161 1 568 . 1 1 57 57 LEU CD1 C 13 22.277 0.400 . 1 . . . . 57 LEU CD1 . 16161 1 569 . 1 1 57 57 LEU CD2 C 13 24.677 0.400 . 1 . . . . 57 LEU CD2 . 16161 1 570 . 1 1 57 57 LEU CG C 13 26.600 0.400 . 1 . . . . 57 LEU CG . 16161 1 571 . 1 1 57 57 LEU N N 15 119.342 0.400 . 1 . . . . 57 LEU N . 16161 1 572 . 1 1 58 58 ARG H H 1 8.519 0.020 . 1 . . . . 58 ARG H . 16161 1 573 . 1 1 58 58 ARG HA H 1 4.000 0.020 . 1 . . . . 58 ARG HA . 16161 1 574 . 1 1 58 58 ARG HB2 H 1 2.026 0.020 . 2 . . . . 58 ARG HB2 . 16161 1 575 . 1 1 58 58 ARG HB3 H 1 2.014 0.020 . 2 . . . . 58 ARG HB3 . 16161 1 576 . 1 1 58 58 ARG HD2 H 1 3.178 0.020 . 2 . . . . 58 ARG HD2 . 16161 1 577 . 1 1 58 58 ARG HD3 H 1 3.166 0.020 . 2 . . . . 58 ARG HD3 . 16161 1 578 . 1 1 58 58 ARG HG2 H 1 1.575 0.020 . 2 . . . . 58 ARG HG2 . 16161 1 579 . 1 1 58 58 ARG HG3 H 1 1.571 0.020 . 2 . . . . 58 ARG HG3 . 16161 1 580 . 1 1 58 58 ARG CA C 13 60.108 0.400 . 1 . . . . 58 ARG CA . 16161 1 581 . 1 1 58 58 ARG CB C 13 29.334 0.400 . 1 . . . . 58 ARG CB . 16161 1 582 . 1 1 58 58 ARG CD C 13 42.835 0.400 . 1 . . . . 58 ARG CD . 16161 1 583 . 1 1 58 58 ARG CG C 13 27.081 0.400 . 1 . . . . 58 ARG CG . 16161 1 584 . 1 1 58 58 ARG N N 15 120.662 0.400 . 1 . . . . 58 ARG N . 16161 1 585 . 1 1 59 59 ASP H H 1 7.973 0.020 . 1 . . . . 59 ASP H . 16161 1 586 . 1 1 59 59 ASP HA H 1 4.570 0.020 . 1 . . . . 59 ASP HA . 16161 1 587 . 1 1 59 59 ASP HB2 H 1 2.881 0.020 . 2 . . . . 59 ASP HB2 . 16161 1 588 . 1 1 59 59 ASP HB3 H 1 2.544 0.020 . 2 . . . . 59 ASP HB3 . 16161 1 589 . 1 1 59 59 ASP CA C 13 57.018 0.400 . 1 . . . . 59 ASP CA . 16161 1 590 . 1 1 59 59 ASP CB C 13 39.502 0.400 . 1 . . . . 59 ASP CB . 16161 1 591 . 1 1 59 59 ASP N N 15 119.569 0.400 . 1 . . . . 59 ASP N . 16161 1 592 . 1 1 60 60 TYR H H 1 8.150 0.020 . 1 . . . . 60 TYR H . 16161 1 593 . 1 1 60 60 TYR HA H 1 4.107 0.020 . 1 . . . . 60 TYR HA . 16161 1 594 . 1 1 60 60 TYR HB2 H 1 2.871 0.020 . 2 . . . . 60 TYR HB2 . 16161 1 595 . 1 1 60 60 TYR HB3 H 1 2.717 0.020 . 2 . . . . 60 TYR HB3 . 16161 1 596 . 1 1 60 60 TYR HD1 H 1 5.913 0.020 . 1 . . . . 60 TYR HD1 . 16161 1 597 . 1 1 60 60 TYR HD2 H 1 5.913 0.020 . 1 . . . . 60 TYR HD2 . 16161 1 598 . 1 1 60 60 TYR HE1 H 1 6.456 0.020 . 1 . . . . 60 TYR HE1 . 16161 1 599 . 1 1 60 60 TYR HE2 H 1 6.456 0.020 . 1 . . . . 60 TYR HE2 . 16161 1 600 . 1 1 60 60 TYR CA C 13 60.253 0.400 . 1 . . . . 60 TYR CA . 16161 1 601 . 1 1 60 60 TYR CB C 13 37.598 0.400 . 1 . . . . 60 TYR CB . 16161 1 602 . 1 1 60 60 TYR CD1 C 13 131.659 0.400 . 1 . . . . 60 TYR CD1 . 16161 1 603 . 1 1 60 60 TYR CE1 C 13 118.100 0.400 . 1 . . . . 60 TYR CE1 . 16161 1 604 . 1 1 60 60 TYR N N 15 123.804 0.400 . 1 . . . . 60 TYR N . 16161 1 605 . 1 1 61 61 LEU H H 1 8.483 0.020 . 1 . . . . 61 LEU H . 16161 1 606 . 1 1 61 61 LEU HA H 1 3.860 0.020 . 1 . . . . 61 LEU HA . 16161 1 607 . 1 1 61 61 LEU HB2 H 1 2.299 0.020 . 2 . . . . 61 LEU HB2 . 16161 1 608 . 1 1 61 61 LEU HB3 H 1 1.614 0.020 . 2 . . . . 61 LEU HB3 . 16161 1 609 . 1 1 61 61 LEU HD11 H 1 1.027 0.020 . 2 . . . . 61 LEU HD1 . 16161 1 610 . 1 1 61 61 LEU HD12 H 1 1.027 0.020 . 2 . . . . 61 LEU HD1 . 16161 1 611 . 1 1 61 61 LEU HD13 H 1 1.027 0.020 . 2 . . . . 61 LEU HD1 . 16161 1 612 . 1 1 61 61 LEU HD21 H 1 0.951 0.020 . 2 . . . . 61 LEU HD2 . 16161 1 613 . 1 1 61 61 LEU HD22 H 1 0.951 0.020 . 2 . . . . 61 LEU HD2 . 16161 1 614 . 1 1 61 61 LEU HD23 H 1 0.951 0.020 . 2 . . . . 61 LEU HD2 . 16161 1 615 . 1 1 61 61 LEU HG H 1 1.807 0.020 . 1 . . . . 61 LEU HG . 16161 1 616 . 1 1 61 61 LEU CA C 13 58.474 0.400 . 1 . . . . 61 LEU CA . 16161 1 617 . 1 1 61 61 LEU CB C 13 41.154 0.400 . 1 . . . . 61 LEU CB . 16161 1 618 . 1 1 61 61 LEU CD1 C 13 25.585 0.400 . 1 . . . . 61 LEU CD1 . 16161 1 619 . 1 1 61 61 LEU CD2 C 13 23.792 0.400 . 1 . . . . 61 LEU CD2 . 16161 1 620 . 1 1 61 61 LEU CG C 13 26.770 0.400 . 1 . . . . 61 LEU CG . 16161 1 621 . 1 1 61 61 LEU N N 15 121.316 0.400 . 1 . . . . 61 LEU N . 16161 1 622 . 1 1 62 62 ILE H H 1 7.780 0.020 . 1 . . . . 62 ILE H . 16161 1 623 . 1 1 62 62 ILE HA H 1 3.609 0.020 . 1 . . . . 62 ILE HA . 16161 1 624 . 1 1 62 62 ILE HB H 1 2.020 0.020 . 1 . . . . 62 ILE HB . 16161 1 625 . 1 1 62 62 ILE CA C 13 65.058 0.400 . 1 . . . . 62 ILE CA . 16161 1 626 . 1 1 62 62 ILE CB C 13 37.671 0.400 . 1 . . . . 62 ILE CB . 16161 1 627 . 1 1 62 62 ILE N N 15 118.646 0.400 . 1 . . . . 62 ILE N . 16161 1 628 . 1 1 63 63 TYR H H 1 8.052 0.020 . 1 . . . . 63 TYR H . 16161 1 629 . 1 1 63 63 TYR HA H 1 4.267 0.020 . 1 . . . . 63 TYR HA . 16161 1 630 . 1 1 63 63 TYR HB2 H 1 3.233 0.020 . 2 . . . . 63 TYR HB2 . 16161 1 631 . 1 1 63 63 TYR HB3 H 1 3.144 0.020 . 2 . . . . 63 TYR HB3 . 16161 1 632 . 1 1 63 63 TYR HD1 H 1 6.991 0.020 . 1 . . . . 63 TYR HD1 . 16161 1 633 . 1 1 63 63 TYR HD2 H 1 6.991 0.020 . 1 . . . . 63 TYR HD2 . 16161 1 634 . 1 1 63 63 TYR HE1 H 1 6.982 0.020 . 1 . . . . 63 TYR HE1 . 16161 1 635 . 1 1 63 63 TYR HE2 H 1 6.982 0.020 . 1 . . . . 63 TYR HE2 . 16161 1 636 . 1 1 63 63 TYR CA C 13 61.357 0.400 . 1 . . . . 63 TYR CA . 16161 1 637 . 1 1 63 63 TYR CB C 13 37.743 0.400 . 1 . . . . 63 TYR CB . 16161 1 638 . 1 1 63 63 TYR CD1 C 13 133.410 0.400 . 1 . . . . 63 TYR CD1 . 16161 1 639 . 1 1 63 63 TYR CE1 C 13 118.094 0.400 . 1 . . . . 63 TYR CE1 . 16161 1 640 . 1 1 63 63 TYR N N 15 122.157 0.400 . 1 . . . . 63 TYR N . 16161 1 641 . 1 1 64 64 MET H H 1 8.616 0.020 . 1 . . . . 64 MET H . 16161 1 642 . 1 1 64 64 MET HA H 1 3.469 0.020 . 1 . . . . 64 MET HA . 16161 1 643 . 1 1 64 64 MET HB2 H 1 2.219 0.020 . 2 . . . . 64 MET HB2 . 16161 1 644 . 1 1 64 64 MET HB3 H 1 1.791 0.020 . 2 . . . . 64 MET HB3 . 16161 1 645 . 1 1 64 64 MET HE1 H 1 1.828 0.020 . 1 . . . . 64 MET HE . 16161 1 646 . 1 1 64 64 MET HE2 H 1 1.828 0.020 . 1 . . . . 64 MET HE . 16161 1 647 . 1 1 64 64 MET HE3 H 1 1.828 0.020 . 1 . . . . 64 MET HE . 16161 1 648 . 1 1 64 64 MET HG2 H 1 1.960 0.020 . 2 . . . . 64 MET HG2 . 16161 1 649 . 1 1 64 64 MET HG3 H 1 1.890 0.020 . 2 . . . . 64 MET HG3 . 16161 1 650 . 1 1 64 64 MET CA C 13 60.060 0.400 . 1 . . . . 64 MET CA . 16161 1 651 . 1 1 64 64 MET CB C 13 34.115 0.400 . 1 . . . . 64 MET CB . 16161 1 652 . 1 1 64 64 MET CE C 13 17.08 0.400 . 1 . . . . 64 MET CE . 16161 1 653 . 1 1 64 64 MET CG C 13 32.333 0.400 . 1 . . . . 64 MET CG . 16161 1 654 . 1 1 64 64 MET N N 15 119.473 0.400 . 1 . . . . 64 MET N . 16161 1 655 . 1 1 65 65 LYS H H 1 8.053 0.020 . 1 . . . . 65 LYS H . 16161 1 656 . 1 1 65 65 LYS HA H 1 4.174 0.020 . 1 . . . . 65 LYS HA . 16161 1 657 . 1 1 65 65 LYS HB2 H 1 1.854 0.020 . 2 . . . . 65 LYS HB2 . 16161 1 658 . 1 1 65 65 LYS HB3 H 1 1.844 0.020 . 2 . . . . 65 LYS HB3 . 16161 1 659 . 1 1 65 65 LYS HD2 H 1 1.615 0.020 . 2 . . . . 65 LYS HD2 . 16161 1 660 . 1 1 65 65 LYS HD3 H 1 1.606 0.020 . 2 . . . . 65 LYS HD3 . 16161 1 661 . 1 1 65 65 LYS HE2 H 1 2.967 0.020 . 2 . . . . 65 LYS HE2 . 16161 1 662 . 1 1 65 65 LYS HE3 H 1 2.965 0.020 . 2 . . . . 65 LYS HE3 . 16161 1 663 . 1 1 65 65 LYS HG2 H 1 1.338 0.020 . 2 . . . . 65 LYS HG2 . 16161 1 664 . 1 1 65 65 LYS HG3 H 1 1.334 0.020 . 2 . . . . 65 LYS HG3 . 16161 1 665 . 1 1 65 65 LYS CA C 13 58.859 0.400 . 1 . . . . 65 LYS CA . 16161 1 666 . 1 1 65 65 LYS CB C 13 32.319 0.400 . 1 . . . . 65 LYS CB . 16161 1 667 . 1 1 65 65 LYS CD C 13 27.104 0.400 . 1 . . . . 65 LYS CD . 16161 1 668 . 1 1 65 65 LYS CE C 13 41.780 0.400 . 1 . . . . 65 LYS CE . 16161 1 669 . 1 1 65 65 LYS CG C 13 25.143 0.400 . 1 . . . . 65 LYS CG . 16161 1 670 . 1 1 65 65 LYS N N 15 116.466 0.400 . 1 . . . . 65 LYS N . 16161 1 671 . 1 1 66 66 LYS H H 1 8.739 0.020 . 1 . . . . 66 LYS H . 16161 1 672 . 1 1 66 66 LYS HA H 1 4.286 0.020 . 1 . . . . 66 LYS HA . 16161 1 673 . 1 1 66 66 LYS HB2 H 1 1.930 0.020 . 2 . . . . 66 LYS HB2 . 16161 1 674 . 1 1 66 66 LYS HB3 H 1 1.851 0.020 . 2 . . . . 66 LYS HB3 . 16161 1 675 . 1 1 66 66 LYS HD2 H 1 1.655 0.020 . 2 . . . . 66 LYS HD2 . 16161 1 676 . 1 1 66 66 LYS HD3 H 1 1.652 0.020 . 2 . . . . 66 LYS HD3 . 16161 1 677 . 1 1 66 66 LYS HE2 H 1 2.958 0.020 . 2 . . . . 66 LYS HE2 . 16161 1 678 . 1 1 66 66 LYS HE3 H 1 2.955 0.020 . 2 . . . . 66 LYS HE3 . 16161 1 679 . 1 1 66 66 LYS HG2 H 1 1.406 0.020 . 2 . . . . 66 LYS HG2 . 16161 1 680 . 1 1 66 66 LYS HG3 H 1 1.402 0.020 . 2 . . . . 66 LYS HG3 . 16161 1 681 . 1 1 66 66 LYS CA C 13 57.562 0.400 . 1 . . . . 66 LYS CA . 16161 1 682 . 1 1 66 66 LYS CB C 13 32.986 0.400 . 1 . . . . 66 LYS CB . 16161 1 683 . 1 1 66 66 LYS CD C 13 28.780 0.400 . 1 . . . . 66 LYS CD . 16161 1 684 . 1 1 66 66 LYS CE C 13 41.780 0.400 . 1 . . . . 66 LYS CE . 16161 1 685 . 1 1 66 66 LYS CG C 13 24.910 0.400 . 1 . . . . 66 LYS CG . 16161 1 686 . 1 1 66 66 LYS N N 15 116.836 0.400 . 1 . . . . 66 LYS N . 16161 1 687 . 1 1 67 67 THR H H 1 7.810 0.020 . 1 . . . . 67 THR H . 16161 1 688 . 1 1 67 67 THR HA H 1 4.241 0.020 . 1 . . . . 67 THR HA . 16161 1 689 . 1 1 67 67 THR HB H 1 3.841 0.020 . 1 . . . . 67 THR HB . 16161 1 690 . 1 1 67 67 THR HG21 H 1 1.053 0.020 . 1 . . . . 67 THR HG2 . 16161 1 691 . 1 1 67 67 THR HG22 H 1 1.053 0.020 . 1 . . . . 67 THR HG2 . 16161 1 692 . 1 1 67 67 THR HG23 H 1 1.053 0.020 . 1 . . . . 67 THR HG2 . 16161 1 693 . 1 1 67 67 THR CA C 13 64.769 0.400 . 1 . . . . 67 THR CA . 16161 1 694 . 1 1 67 67 THR CB C 13 68.468 0.400 . 1 . . . . 67 THR CB . 16161 1 695 . 1 1 67 67 THR CG2 C 13 21.830 0.400 . 1 . . . . 67 THR CG2 . 16161 1 696 . 1 1 67 67 THR N N 15 113.845 0.400 . 1 . . . . 67 THR N . 16161 1 697 . 1 1 68 68 LEU H H 1 7.568 0.020 . 1 . . . . 68 LEU H . 16161 1 698 . 1 1 68 68 LEU HA H 1 4.278 0.020 . 1 . . . . 68 LEU HA . 16161 1 699 . 1 1 68 68 LEU HB2 H 1 1.937 0.020 . 2 . . . . 68 LEU HB2 . 16161 1 700 . 1 1 68 68 LEU HB3 H 1 1.456 0.020 . 2 . . . . 68 LEU HB3 . 16161 1 701 . 1 1 68 68 LEU HD11 H 1 0.878 0.020 . 2 . . . . 68 LEU HD1 . 16161 1 702 . 1 1 68 68 LEU HD12 H 1 0.878 0.020 . 2 . . . . 68 LEU HD1 . 16161 1 703 . 1 1 68 68 LEU HD13 H 1 0.878 0.020 . 2 . . . . 68 LEU HD1 . 16161 1 704 . 1 1 68 68 LEU HD21 H 1 0.756 0.020 . 2 . . . . 68 LEU HD2 . 16161 1 705 . 1 1 68 68 LEU HD22 H 1 0.756 0.020 . 2 . . . . 68 LEU HD2 . 16161 1 706 . 1 1 68 68 LEU HD23 H 1 0.756 0.020 . 2 . . . . 68 LEU HD2 . 16161 1 707 . 1 1 68 68 LEU HG H 1 1.130 0.020 . 1 . . . . 68 LEU HG . 16161 1 708 . 1 1 68 68 LEU CA C 13 54.727 0.400 . 1 . . . . 68 LEU CA . 16161 1 709 . 1 1 68 68 LEU CB C 13 40.674 0.400 . 1 . . . . 68 LEU CB . 16161 1 710 . 1 1 68 68 LEU CD1 C 13 25.758 0.400 . 1 . . . . 68 LEU CD1 . 16161 1 711 . 1 1 68 68 LEU CD2 C 13 21.821 0.400 . 1 . . . . 68 LEU CD2 . 16161 1 712 . 1 1 68 68 LEU CG C 13 26.210 0.400 . 1 . . . . 68 LEU CG . 16161 1 713 . 1 1 68 68 LEU N N 15 118.162 0.400 . 1 . . . . 68 LEU N . 16161 1 714 . 1 1 69 69 CYS H H 1 7.191 0.020 . 1 . . . . 69 CYS H . 16161 1 715 . 1 1 69 69 CYS HA H 1 4.730 0.020 . 1 . . . . 69 CYS HA . 16161 1 716 . 1 1 69 69 CYS CA C 13 57.430 0.400 . 1 . . . . 69 CYS CA . 16161 1 717 . 1 1 69 69 CYS N N 15 112.707 0.400 . 1 . . . . 69 CYS N . 16161 1 718 . 1 1 70 70 ASN H H 1 8.370 0.020 . 1 . . . . 70 ASN H . 16161 1 719 . 1 1 70 70 ASN HA H 1 4.589 0.020 . 1 . . . . 70 ASN HA . 16161 1 720 . 1 1 70 70 ASN HB2 H 1 2.577 0.020 . 2 . . . . 70 ASN HB2 . 16161 1 721 . 1 1 70 70 ASN HB3 H 1 2.376 0.020 . 2 . . . . 70 ASN HB3 . 16161 1 722 . 1 1 70 70 ASN HD21 H 1 6.983 0.020 . 2 . . . . 70 ASN HD21 . 16161 1 723 . 1 1 70 70 ASN HD22 H 1 6.853 0.020 . 2 . . . . 70 ASN HD22 . 16161 1 724 . 1 1 70 70 ASN CA C 13 53.285 0.400 . 1 . . . . 70 ASN CA . 16161 1 725 . 1 1 70 70 ASN CB C 13 39.112 0.400 . 1 . . . . 70 ASN CB . 16161 1 726 . 1 1 70 70 ASN ND2 N 15 109.221 0.400 . 1 . . . . 70 ASN ND2 . 16161 1 727 . 1 1 71 71 ALA H H 1 8.467 0.020 . 1 . . . . 71 ALA H . 16161 1 728 . 1 1 71 71 ALA HA H 1 4.301 0.020 . 1 . . . . 71 ALA HA . 16161 1 729 . 1 1 71 71 ALA HB1 H 1 1.536 0.020 . 1 . . . . 71 ALA HB . 16161 1 730 . 1 1 71 71 ALA HB2 H 1 1.536 0.020 . 1 . . . . 71 ALA HB . 16161 1 731 . 1 1 71 71 ALA HB3 H 1 1.536 0.020 . 1 . . . . 71 ALA HB . 16161 1 732 . 1 1 71 71 ALA CA C 13 51.988 0.400 . 1 . . . . 71 ALA CA . 16161 1 733 . 1 1 71 71 ALA CB C 13 18.980 0.400 . 1 . . . . 71 ALA CB . 16161 1 734 . 1 1 71 71 ALA N N 15 123.299 0.400 . 1 . . . . 71 ALA N . 16161 1 735 . 1 1 72 72 ASP H H 1 8.811 0.020 . 1 . . . . 72 ASP H . 16161 1 736 . 1 1 72 72 ASP HA H 1 4.270 0.020 . 1 . . . . 72 ASP HA . 16161 1 737 . 1 1 72 72 ASP HB2 H 1 2.698 0.020 . 2 . . . . 72 ASP HB2 . 16161 1 738 . 1 1 72 72 ASP HB3 H 1 2.698 0.020 . 2 . . . . 72 ASP HB3 . 16161 1 739 . 1 1 72 72 ASP CA C 13 57.850 0.400 . 1 . . . . 72 ASP CA . 16161 1 740 . 1 1 72 72 ASP CB C 13 40.793 0.400 . 1 . . . . 72 ASP CB . 16161 1 741 . 1 1 72 72 ASP N N 15 121.296 0.400 . 1 . . . . 72 ASP N . 16161 1 742 . 1 1 73 73 SER H H 1 8.592 0.020 . 1 . . . . 73 SER H . 16161 1 743 . 1 1 73 73 SER HA H 1 4.195 0.020 . 1 . . . . 73 SER HA . 16161 1 744 . 1 1 73 73 SER HB2 H 1 3.917 0.020 . 2 . . . . 73 SER HB2 . 16161 1 745 . 1 1 73 73 SER HB3 H 1 3.911 0.020 . 2 . . . . 73 SER HB3 . 16161 1 746 . 1 1 73 73 SER CA C 13 60.423 0.400 . 1 . . . . 73 SER CA . 16161 1 747 . 1 1 73 73 SER CB C 13 61.997 0.400 . 1 . . . . 73 SER CB . 16161 1 748 . 1 1 73 73 SER N N 15 112.534 0.400 . 1 . . . . 73 SER N . 16161 1 749 . 1 1 74 74 THR H H 1 7.269 0.020 . 1 . . . . 74 THR H . 16161 1 750 . 1 1 74 74 THR HA H 1 4.003 0.020 . 1 . . . . 74 THR HA . 16161 1 751 . 1 1 74 74 THR HB H 1 4.232 0.020 . 1 . . . . 74 THR HB . 16161 1 752 . 1 1 74 74 THR HG21 H 1 1.226 0.020 . 1 . . . . 74 THR HG2 . 16161 1 753 . 1 1 74 74 THR HG22 H 1 1.226 0.020 . 1 . . . . 74 THR HG2 . 16161 1 754 . 1 1 74 74 THR HG23 H 1 1.226 0.020 . 1 . . . . 74 THR HG2 . 16161 1 755 . 1 1 74 74 THR CA C 13 65.105 0.400 . 1 . . . . 74 THR CA . 16161 1 756 . 1 1 74 74 THR CB C 13 68.949 0.400 . 1 . . . . 74 THR CB . 16161 1 757 . 1 1 74 74 THR CG2 C 13 21.440 0.400 . 1 . . . . 74 THR CG2 . 16161 1 758 . 1 1 74 74 THR N N 15 119.319 0.400 . 1 . . . . 74 THR N . 16161 1 759 . 1 1 75 75 ALA H H 1 8.501 0.020 . 1 . . . . 75 ALA H . 16161 1 760 . 1 1 75 75 ALA HA H 1 4.164 0.020 . 1 . . . . 75 ALA HA . 16161 1 761 . 1 1 75 75 ALA HB1 H 1 1.378 0.020 . 1 . . . . 75 ALA HB . 16161 1 762 . 1 1 75 75 ALA HB2 H 1 1.378 0.020 . 1 . . . . 75 ALA HB . 16161 1 763 . 1 1 75 75 ALA HB3 H 1 1.378 0.020 . 1 . . . . 75 ALA HB . 16161 1 764 . 1 1 75 75 ALA CA C 13 55.399 0.400 . 1 . . . . 75 ALA CA . 16161 1 765 . 1 1 75 75 ALA CB C 13 17.779 0.400 . 1 . . . . 75 ALA CB . 16161 1 766 . 1 1 75 75 ALA N N 15 125.102 0.400 . 1 . . . . 75 ALA N . 16161 1 767 . 1 1 76 76 GLN H H 1 8.539 0.020 . 1 . . . . 76 GLN H . 16161 1 768 . 1 1 76 76 GLN HA H 1 3.968 0.020 . 1 . . . . 76 GLN HA . 16161 1 769 . 1 1 76 76 GLN HB2 H 1 2.186 0.020 . 2 . . . . 76 GLN HB2 . 16161 1 770 . 1 1 76 76 GLN HB3 H 1 2.099 0.020 . 2 . . . . 76 GLN HB3 . 16161 1 771 . 1 1 76 76 GLN HE21 H 1 7.594 0.020 . 2 . . . . 76 GLN HE21 . 16161 1 772 . 1 1 76 76 GLN HE22 H 1 6.679 0.020 . 2 . . . . 76 GLN HE22 . 16161 1 773 . 1 1 76 76 GLN HG2 H 1 2.483 0.020 . 2 . . . . 76 GLN HG2 . 16161 1 774 . 1 1 76 76 GLN HG3 H 1 2.470 0.020 . 2 . . . . 76 GLN HG3 . 16161 1 775 . 1 1 76 76 GLN CA C 13 58.859 0.400 . 1 . . . . 76 GLN CA . 16161 1 776 . 1 1 76 76 GLN CB C 13 27.629 0.400 . 1 . . . . 76 GLN CB . 16161 1 777 . 1 1 76 76 GLN CG C 13 33.720 0.400 . 1 . . . . 76 GLN CG . 16161 1 778 . 1 1 76 76 GLN N N 15 115.930 0.400 . 1 . . . . 76 GLN N . 16161 1 779 . 1 1 76 76 GLN NE2 N 15 111.589 0.400 . 1 . . . . 76 GLN NE2 . 16161 1 780 . 1 1 77 77 ARG H H 1 7.929 0.020 . 1 . . . . 77 ARG H . 16161 1 781 . 1 1 77 77 ARG HA H 1 4.118 0.020 . 1 . . . . 77 ARG HA . 16161 1 782 . 1 1 77 77 ARG HB2 H 1 1.978 0.020 . 2 . . . . 77 ARG HB2 . 16161 1 783 . 1 1 77 77 ARG HB3 H 1 1.968 0.020 . 2 . . . . 77 ARG HB3 . 16161 1 784 . 1 1 77 77 ARG HD2 H 1 3.012 0.020 . 2 . . . . 77 ARG HD2 . 16161 1 785 . 1 1 77 77 ARG HD3 H 1 2.984 0.020 . 2 . . . . 77 ARG HD3 . 16161 1 786 . 1 1 77 77 ARG HG2 H 1 1.726 0.020 . 2 . . . . 77 ARG HG2 . 16161 1 787 . 1 1 77 77 ARG HG3 H 1 1.720 0.020 . 2 . . . . 77 ARG HG3 . 16161 1 788 . 1 1 77 77 ARG CA C 13 59.147 0.400 . 1 . . . . 77 ARG CA . 16161 1 789 . 1 1 77 77 ARG CB C 13 29.334 0.400 . 1 . . . . 77 ARG CB . 16161 1 790 . 1 1 77 77 ARG CD C 13 43.260 0.400 . 1 . . . . 77 ARG CD . 16161 1 791 . 1 1 77 77 ARG CG C 13 27.114 0.400 . 1 . . . . 77 ARG CG . 16161 1 792 . 1 1 77 77 ARG N N 15 121.198 0.400 . 1 . . . . 77 ARG N . 16161 1 793 . 1 1 78 78 ASN H H 1 8.302 0.020 . 1 . . . . 78 ASN H . 16161 1 794 . 1 1 78 78 ASN HA H 1 4.751 0.020 . 1 . . . . 78 ASN HA . 16161 1 795 . 1 1 78 78 ASN HB2 H 1 3.059 0.020 . 2 . . . . 78 ASN HB2 . 16161 1 796 . 1 1 78 78 ASN HB3 H 1 2.723 0.020 . 2 . . . . 78 ASN HB3 . 16161 1 797 . 1 1 78 78 ASN HD21 H 1 7.024 0.020 . 2 . . . . 78 ASN HD21 . 16161 1 798 . 1 1 78 78 ASN HD22 H 1 7.017 0.020 . 2 . . . . 78 ASN HD22 . 16161 1 799 . 1 1 78 78 ASN CA C 13 56.120 0.400 . 1 . . . . 78 ASN CA . 16161 1 800 . 1 1 78 78 ASN CB C 13 38.343 0.400 . 1 . . . . 78 ASN CB . 16161 1 801 . 1 1 78 78 ASN N N 15 119.545 0.400 . 1 . . . . 78 ASN N . 16161 1 802 . 1 1 78 78 ASN ND2 N 15 110.642 0.400 . 1 . . . . 78 ASN ND2 . 16161 1 803 . 1 1 79 79 LEU H H 1 8.260 0.020 . 1 . . . . 79 LEU H . 16161 1 804 . 1 1 79 79 LEU HA H 1 4.047 0.020 . 1 . . . . 79 LEU HA . 16161 1 805 . 1 1 79 79 LEU HB2 H 1 2.017 0.020 . 2 . . . . 79 LEU HB2 . 16161 1 806 . 1 1 79 79 LEU HB3 H 1 1.671 0.020 . 2 . . . . 79 LEU HB3 . 16161 1 807 . 1 1 79 79 LEU HD11 H 1 1.028 0.020 . 2 . . . . 79 LEU HD1 . 16161 1 808 . 1 1 79 79 LEU HD12 H 1 1.028 0.020 . 2 . . . . 79 LEU HD1 . 16161 1 809 . 1 1 79 79 LEU HD13 H 1 1.028 0.020 . 2 . . . . 79 LEU HD1 . 16161 1 810 . 1 1 79 79 LEU HD21 H 1 0.942 0.020 . 2 . . . . 79 LEU HD2 . 16161 1 811 . 1 1 79 79 LEU HD22 H 1 0.942 0.020 . 2 . . . . 79 LEU HD2 . 16161 1 812 . 1 1 79 79 LEU HD23 H 1 0.942 0.020 . 2 . . . . 79 LEU HD2 . 16161 1 813 . 1 1 79 79 LEU HG H 1 1.883 0.020 . 1 . . . . 79 LEU HG . 16161 1 814 . 1 1 79 79 LEU CA C 13 55.650 0.400 . 1 . . . . 79 LEU CA . 16161 1 815 . 1 1 79 79 LEU CB C 13 41.547 0.400 . 1 . . . . 79 LEU CB . 16161 1 816 . 1 1 79 79 LEU CD1 C 13 25.565 0.400 . 1 . . . . 79 LEU CD1 . 16161 1 817 . 1 1 79 79 LEU CD2 C 13 23.762 0.400 . 1 . . . . 79 LEU CD2 . 16161 1 818 . 1 1 79 79 LEU CG C 13 27.090 0.400 . 1 . . . . 79 LEU CG . 16161 1 819 . 1 1 79 79 LEU N N 15 119.634 0.400 . 1 . . . . 79 LEU N . 16161 1 820 . 1 1 80 80 SER H H 1 8.402 0.020 . 1 . . . . 80 SER H . 16161 1 821 . 1 1 80 80 SER N N 15 114.402 0.400 . 1 . . . . 80 SER N . 16161 1 822 . 1 1 81 81 THR H H 1 7.897 0.020 . 1 . . . . 81 THR H . 16161 1 823 . 1 1 81 81 THR HA H 1 3.969 0.020 . 1 . . . . 81 THR HA . 16161 1 824 . 1 1 81 81 THR HB H 1 4.640 0.020 . 1 . . . . 81 THR HB . 16161 1 825 . 1 1 81 81 THR CA C 13 66.498 0.400 . 1 . . . . 81 THR CA . 16161 1 826 . 1 1 81 81 THR CB C 13 67.772 0.400 . 1 . . . . 81 THR CB . 16161 1 827 . 1 1 81 81 THR N N 15 121.054 0.400 . 1 . . . . 81 THR N . 16161 1 828 . 1 1 82 82 ILE H H 1 8.043 0.020 . 1 . . . . 82 ILE H . 16161 1 829 . 1 1 82 82 ILE HA H 1 3.630 0.020 . 1 . . . . 82 ILE HA . 16161 1 830 . 1 1 82 82 ILE HB H 1 1.882 0.020 . 1 . . . . 82 ILE HB . 16161 1 831 . 1 1 82 82 ILE HD11 H 1 0.218 0.020 . 1 . . . . 82 ILE HD1 . 16161 1 832 . 1 1 82 82 ILE HD12 H 1 0.218 0.020 . 1 . . . . 82 ILE HD1 . 16161 1 833 . 1 1 82 82 ILE HD13 H 1 0.218 0.020 . 1 . . . . 82 ILE HD1 . 16161 1 834 . 1 1 82 82 ILE HG12 H 1 1.665 0.020 . 2 . . . . 82 ILE HG12 . 16161 1 835 . 1 1 82 82 ILE HG13 H 1 0.226 0.020 . 2 . . . . 82 ILE HG13 . 16161 1 836 . 1 1 82 82 ILE HG21 H 1 0.622 0.020 . 1 . . . . 82 ILE HG2 . 16161 1 837 . 1 1 82 82 ILE HG22 H 1 0.622 0.020 . 1 . . . . 82 ILE HG2 . 16161 1 838 . 1 1 82 82 ILE HG23 H 1 0.622 0.020 . 1 . . . . 82 ILE HG2 . 16161 1 839 . 1 1 82 82 ILE CA C 13 66.306 0.400 . 1 . . . . 82 ILE CA . 16161 1 840 . 1 1 82 82 ILE CB C 13 38.583 0.400 . 1 . . . . 82 ILE CB . 16161 1 841 . 1 1 82 82 ILE CD1 C 13 13.959 0.400 . 1 . . . . 82 ILE CD1 . 16161 1 842 . 1 1 82 82 ILE CG1 C 13 30.151 0.400 . 1 . . . . 82 ILE CG1 . 16161 1 843 . 1 1 82 82 ILE CG2 C 13 17.360 0.400 . 1 . . . . 82 ILE CG2 . 16161 1 844 . 1 1 82 82 ILE N N 15 122.189 0.400 . 1 . . . . 82 ILE N . 16161 1 845 . 1 1 83 83 LYS H H 1 8.135 0.020 . 1 . . . . 83 LYS H . 16161 1 846 . 1 1 83 83 LYS HA H 1 3.474 0.020 . 1 . . . . 83 LYS HA . 16161 1 847 . 1 1 83 83 LYS HB2 H 1 1.617 0.020 . 2 . . . . 83 LYS HB2 . 16161 1 848 . 1 1 83 83 LYS HB3 H 1 0.677 0.020 . 2 . . . . 83 LYS HB3 . 16161 1 849 . 1 1 83 83 LYS HD2 H 1 1.205 0.020 . 2 . . . . 83 LYS HD2 . 16161 1 850 . 1 1 83 83 LYS HD3 H 1 0.986 0.020 . 2 . . . . 83 LYS HD3 . 16161 1 851 . 1 1 83 83 LYS HE2 H 1 2.700 0.020 . 2 . . . . 83 LYS HE2 . 16161 1 852 . 1 1 83 83 LYS HE3 H 1 2.635 0.020 . 2 . . . . 83 LYS HE3 . 16161 1 853 . 1 1 83 83 LYS HG2 H 1 0.931 0.020 . 2 . . . . 83 LYS HG2 . 16161 1 854 . 1 1 83 83 LYS HG3 H 1 0.572 0.020 . 2 . . . . 83 LYS HG3 . 16161 1 855 . 1 1 83 83 LYS CA C 13 59.916 0.400 . 1 . . . . 83 LYS CA . 16161 1 856 . 1 1 83 83 LYS CB C 13 31.569 0.400 . 1 . . . . 83 LYS CB . 16161 1 857 . 1 1 83 83 LYS CD C 13 29.322 0.400 . 1 . . . . 83 LYS CD . 16161 1 858 . 1 1 83 83 LYS CE C 13 41.780 0.400 . 1 . . . . 83 LYS CE . 16161 1 859 . 1 1 83 83 LYS CG C 13 24.636 0.400 . 1 . . . . 83 LYS CG . 16161 1 860 . 1 1 83 83 LYS N N 15 118.830 0.400 . 1 . . . . 83 LYS N . 16161 1 861 . 1 1 84 84 ILE H H 1 7.332 0.020 . 1 . . . . 84 ILE H . 16161 1 862 . 1 1 84 84 ILE HA H 1 3.506 0.020 . 1 . . . . 84 ILE HA . 16161 1 863 . 1 1 84 84 ILE HB H 1 2.006 0.020 . 1 . . . . 84 ILE HB . 16161 1 864 . 1 1 84 84 ILE HD11 H 1 0.239 0.020 . 1 . . . . 84 ILE HD1 . 16161 1 865 . 1 1 84 84 ILE HD12 H 1 0.239 0.020 . 1 . . . . 84 ILE HD1 . 16161 1 866 . 1 1 84 84 ILE HD13 H 1 0.239 0.020 . 1 . . . . 84 ILE HD1 . 16161 1 867 . 1 1 84 84 ILE HG12 H 1 1.111 0.020 . 2 . . . . 84 ILE HG12 . 16161 1 868 . 1 1 84 84 ILE HG13 H 1 1.054 0.020 . 2 . . . . 84 ILE HG13 . 16161 1 869 . 1 1 84 84 ILE HG21 H 1 1.049 0.020 . 1 . . . . 84 ILE HG2 . 16161 1 870 . 1 1 84 84 ILE HG22 H 1 1.049 0.020 . 1 . . . . 84 ILE HG2 . 16161 1 871 . 1 1 84 84 ILE HG23 H 1 1.049 0.020 . 1 . . . . 84 ILE HG2 . 16161 1 872 . 1 1 84 84 ILE CA C 13 65.123 0.400 . 1 . . . . 84 ILE CA . 16161 1 873 . 1 1 84 84 ILE CB C 13 37.632 0.400 . 1 . . . . 84 ILE CB . 16161 1 874 . 1 1 84 84 ILE CD1 C 13 15.281 0.400 . 1 . . . . 84 ILE CD1 . 16161 1 875 . 1 1 84 84 ILE CG1 C 13 28.394 0.400 . 1 . . . . 84 ILE CG1 . 16161 1 876 . 1 1 84 84 ILE CG2 C 13 13.962 0.400 . 1 . . . . 84 ILE CG2 . 16161 1 877 . 1 1 84 84 ILE N N 15 120.345 0.400 . 1 . . . . 84 ILE N . 16161 1 878 . 1 1 85 85 TYR H H 1 7.186 0.020 . 1 . . . . 85 TYR H . 16161 1 879 . 1 1 85 85 TYR HA H 1 3.926 0.020 . 1 . . . . 85 TYR HA . 16161 1 880 . 1 1 85 85 TYR HB2 H 1 3.140 0.020 . 2 . . . . 85 TYR HB2 . 16161 1 881 . 1 1 85 85 TYR HB3 H 1 3.104 0.020 . 2 . . . . 85 TYR HB3 . 16161 1 882 . 1 1 85 85 TYR HD1 H 1 6.840 0.020 . 1 . . . . 85 TYR HD1 . 16161 1 883 . 1 1 85 85 TYR HD2 H 1 6.840 0.020 . 1 . . . . 85 TYR HD2 . 16161 1 884 . 1 1 85 85 TYR HE1 H 1 6.620 0.020 . 1 . . . . 85 TYR HE1 . 16161 1 885 . 1 1 85 85 TYR HE2 H 1 6.620 0.020 . 1 . . . . 85 TYR HE2 . 16161 1 886 . 1 1 85 85 TYR CA C 13 62.510 0.400 . 1 . . . . 85 TYR CA . 16161 1 887 . 1 1 85 85 TYR CB C 13 39.412 0.400 . 1 . . . . 85 TYR CB . 16161 1 888 . 1 1 85 85 TYR CD1 C 13 131.659 0.400 . 1 . . . . 85 TYR CD1 . 16161 1 889 . 1 1 85 85 TYR CE1 C 13 117.810 0.400 . 1 . . . . 85 TYR CE1 . 16161 1 890 . 1 1 85 85 TYR N N 15 118.743 0.400 . 1 . . . . 85 TYR N . 16161 1 891 . 1 1 86 86 VAL H H 1 8.616 0.020 . 1 . . . . 86 VAL H . 16161 1 892 . 1 1 86 86 VAL HA H 1 3.952 0.020 . 1 . . . . 86 VAL HA . 16161 1 893 . 1 1 86 86 VAL HB H 1 2.320 0.020 . 1 . . . . 86 VAL HB . 16161 1 894 . 1 1 86 86 VAL HG11 H 1 1.229 0.020 . 2 . . . . 86 VAL HG1 . 16161 1 895 . 1 1 86 86 VAL HG12 H 1 1.229 0.020 . 2 . . . . 86 VAL HG1 . 16161 1 896 . 1 1 86 86 VAL HG13 H 1 1.229 0.020 . 2 . . . . 86 VAL HG1 . 16161 1 897 . 1 1 86 86 VAL HG21 H 1 1.181 0.020 . 2 . . . . 86 VAL HG2 . 16161 1 898 . 1 1 86 86 VAL HG22 H 1 1.181 0.020 . 2 . . . . 86 VAL HG2 . 16161 1 899 . 1 1 86 86 VAL HG23 H 1 1.181 0.020 . 2 . . . . 86 VAL HG2 . 16161 1 900 . 1 1 86 86 VAL CA C 13 67.267 0.400 . 1 . . . . 86 VAL CA . 16161 1 901 . 1 1 86 86 VAL CB C 13 31.809 0.400 . 1 . . . . 86 VAL CB . 16161 1 902 . 1 1 86 86 VAL CG1 C 13 21.841 0.400 . 1 . . . . 86 VAL CG1 . 16161 1 903 . 1 1 86 86 VAL CG2 C 13 25.205 0.400 . 1 . . . . 86 VAL CG2 . 16161 1 904 . 1 1 86 86 VAL N N 15 121.622 0.400 . 1 . . . . 86 VAL N . 16161 1 905 . 1 1 87 87 SER H H 1 8.961 0.020 . 1 . . . . 87 SER H . 16161 1 906 . 1 1 87 87 SER HA H 1 4.132 0.020 . 1 . . . . 87 SER HA . 16161 1 907 . 1 1 87 87 SER HB2 H 1 3.953 0.020 . 2 . . . . 87 SER HB2 . 16161 1 908 . 1 1 87 87 SER HB3 H 1 3.869 0.020 . 2 . . . . 87 SER HB3 . 16161 1 909 . 1 1 87 87 SER CA C 13 62.323 0.400 . 1 . . . . 87 SER CA . 16161 1 910 . 1 1 87 87 SER CB C 13 62.392 0.400 . 1 . . . . 87 SER CB . 16161 1 911 . 1 1 87 87 SER N N 15 114.706 0.400 . 1 . . . . 87 SER N . 16161 1 912 . 1 1 88 88 ALA H H 1 7.498 0.020 . 1 . . . . 88 ALA H . 16161 1 913 . 1 1 88 88 ALA HA H 1 4.103 0.020 . 1 . . . . 88 ALA HA . 16161 1 914 . 1 1 88 88 ALA HB1 H 1 1.039 0.020 . 1 . . . . 88 ALA HB . 16161 1 915 . 1 1 88 88 ALA HB2 H 1 1.039 0.020 . 1 . . . . 88 ALA HB . 16161 1 916 . 1 1 88 88 ALA HB3 H 1 1.039 0.020 . 1 . . . . 88 ALA HB . 16161 1 917 . 1 1 88 88 ALA CA C 13 54.871 0.400 . 1 . . . . 88 ALA CA . 16161 1 918 . 1 1 88 88 ALA CB C 13 17.373 0.400 . 1 . . . . 88 ALA CB . 16161 1 919 . 1 1 88 88 ALA N N 15 123.467 0.400 . 1 . . . . 88 ALA N . 16161 1 920 . 1 1 89 89 ALA H H 1 8.100 0.020 . 1 . . . . 89 ALA H . 16161 1 921 . 1 1 89 89 ALA HA H 1 3.422 0.020 . 1 . . . . 89 ALA HA . 16161 1 922 . 1 1 89 89 ALA HB1 H 1 1.470 0.020 . 1 . . . . 89 ALA HB . 16161 1 923 . 1 1 89 89 ALA HB2 H 1 1.470 0.020 . 1 . . . . 89 ALA HB . 16161 1 924 . 1 1 89 89 ALA HB3 H 1 1.470 0.020 . 1 . . . . 89 ALA HB . 16161 1 925 . 1 1 89 89 ALA CA C 13 54.967 0.400 . 1 . . . . 89 ALA CA . 16161 1 926 . 1 1 89 89 ALA CB C 13 17.816 0.400 . 1 . . . . 89 ALA CB . 16161 1 927 . 1 1 89 89 ALA N N 15 121.498 0.400 . 1 . . . . 89 ALA N . 16161 1 928 . 1 1 90 90 ILE H H 1 8.393 0.020 . 1 . . . . 90 ILE H . 16161 1 929 . 1 1 90 90 ILE HA H 1 4.013 0.020 . 1 . . . . 90 ILE HA . 16161 1 930 . 1 1 90 90 ILE HB H 1 1.927 0.020 . 1 . . . . 90 ILE HB . 16161 1 931 . 1 1 90 90 ILE HD11 H 1 0.846 0.020 . 1 . . . . 90 ILE HD1 . 16161 1 932 . 1 1 90 90 ILE HD12 H 1 0.846 0.020 . 1 . . . . 90 ILE HD1 . 16161 1 933 . 1 1 90 90 ILE HD13 H 1 0.846 0.020 . 1 . . . . 90 ILE HD1 . 16161 1 934 . 1 1 90 90 ILE HG12 H 1 1.936 0.020 . 2 . . . . 90 ILE HG12 . 16161 1 935 . 1 1 90 90 ILE HG13 H 1 0.835 0.020 . 2 . . . . 90 ILE HG13 . 16161 1 936 . 1 1 90 90 ILE HG21 H 1 0.856 0.020 . 1 . . . . 90 ILE HG2 . 16161 1 937 . 1 1 90 90 ILE HG22 H 1 0.856 0.020 . 1 . . . . 90 ILE HG2 . 16161 1 938 . 1 1 90 90 ILE HG23 H 1 0.856 0.020 . 1 . . . . 90 ILE HG2 . 16161 1 939 . 1 1 90 90 ILE CA C 13 64.289 0.400 . 1 . . . . 90 ILE CA . 16161 1 940 . 1 1 90 90 ILE CB C 13 38.406 0.400 . 1 . . . . 90 ILE CB . 16161 1 941 . 1 1 90 90 ILE CD1 C 13 14.389 0.400 . 1 . . . . 90 ILE CD1 . 16161 1 942 . 1 1 90 90 ILE CG1 C 13 29.243 0.400 . 1 . . . . 90 ILE CG1 . 16161 1 943 . 1 1 90 90 ILE CG2 C 13 16.590 0.400 . 1 . . . . 90 ILE CG2 . 16161 1 944 . 1 1 90 90 ILE N N 15 120.110 0.400 . 1 . . . . 90 ILE N . 16161 1 945 . 1 1 91 91 LYS H H 1 8.081 0.020 . 1 . . . . 91 LYS H . 16161 1 946 . 1 1 91 91 LYS HA H 1 4.045 0.020 . 1 . . . . 91 LYS HA . 16161 1 947 . 1 1 91 91 LYS HB2 H 1 1.958 0.020 . 2 . . . . 91 LYS HB2 . 16161 1 948 . 1 1 91 91 LYS HB3 H 1 1.956 0.020 . 2 . . . . 91 LYS HB3 . 16161 1 949 . 1 1 91 91 LYS HD2 H 1 1.711 0.020 . 2 . . . . 91 LYS HD2 . 16161 1 950 . 1 1 91 91 LYS HD3 H 1 1.709 0.020 . 2 . . . . 91 LYS HD3 . 16161 1 951 . 1 1 91 91 LYS HE2 H 1 2.985 0.020 . 2 . . . . 91 LYS HE2 . 16161 1 952 . 1 1 91 91 LYS HE3 H 1 2.977 0.020 . 2 . . . . 91 LYS HE3 . 16161 1 953 . 1 1 91 91 LYS HG2 H 1 1.547 0.020 . 2 . . . . 91 LYS HG2 . 16161 1 954 . 1 1 91 91 LYS HG3 H 1 1.494 0.020 . 2 . . . . 91 LYS HG3 . 16161 1 955 . 1 1 91 91 LYS CA C 13 58.283 0.400 . 1 . . . . 91 LYS CA . 16161 1 956 . 1 1 91 91 LYS CB C 13 31.953 0.400 . 1 . . . . 91 LYS CB . 16161 1 957 . 1 1 91 91 LYS CD C 13 28.780 0.400 . 1 . . . . 91 LYS CD . 16161 1 958 . 1 1 91 91 LYS CE C 13 41.780 0.400 . 1 . . . . 91 LYS CE . 16161 1 959 . 1 1 91 91 LYS CG C 13 24.910 0.400 . 1 . . . . 91 LYS CG . 16161 1 960 . 1 1 91 91 LYS N N 15 122.134 0.400 . 1 . . . . 91 LYS N . 16161 1 961 . 1 1 92 92 LYS H H 1 7.575 0.020 . 1 . . . . 92 LYS H . 16161 1 962 . 1 1 92 92 LYS HA H 1 4.051 0.020 . 1 . . . . 92 LYS HA . 16161 1 963 . 1 1 92 92 LYS HB2 H 1 1.409 0.020 . 2 . . . . 92 LYS HB2 . 16161 1 964 . 1 1 92 92 LYS HB3 H 1 1.251 0.020 . 2 . . . . 92 LYS HB3 . 16161 1 965 . 1 1 92 92 LYS HD2 H 1 1.691 0.020 . 2 . . . . 92 LYS HD2 . 16161 1 966 . 1 1 92 92 LYS HD3 H 1 1.690 0.020 . 2 . . . . 92 LYS HD3 . 16161 1 967 . 1 1 92 92 LYS HE2 H 1 2.979 0.020 . 2 . . . . 92 LYS HE2 . 16161 1 968 . 1 1 92 92 LYS HE3 H 1 2.978 0.020 . 2 . . . . 92 LYS HE3 . 16161 1 969 . 1 1 92 92 LYS HG2 H 1 1.544 0.020 . 2 . . . . 92 LYS HG2 . 16161 1 970 . 1 1 92 92 LYS HG3 H 1 1.535 0.020 . 2 . . . . 92 LYS HG3 . 16161 1 971 . 1 1 92 92 LYS CA C 13 55.736 0.400 . 1 . . . . 92 LYS CA . 16161 1 972 . 1 1 92 92 LYS CB C 13 32.529 0.400 . 1 . . . . 92 LYS CB . 16161 1 973 . 1 1 92 92 LYS CD C 13 28.836 0.400 . 1 . . . . 92 LYS CD . 16161 1 974 . 1 1 92 92 LYS CE C 13 41.780 0.400 . 1 . . . . 92 LYS CE . 16161 1 975 . 1 1 92 92 LYS CG C 13 25.112 0.400 . 1 . . . . 92 LYS CG . 16161 1 976 . 1 1 92 92 LYS N N 15 115.111 0.400 . 1 . . . . 92 LYS N . 16161 1 977 . 1 1 93 93 GLY H H 1 7.640 0.020 . 1 . . . . 93 GLY H . 16161 1 978 . 1 1 93 93 GLY HA2 H 1 4.012 0.020 . 2 . . . . 93 GLY HA2 . 16161 1 979 . 1 1 93 93 GLY HA3 H 1 3.743 0.020 . 2 . . . . 93 GLY HA3 . 16161 1 980 . 1 1 93 93 GLY CA C 13 45.021 0.400 . 1 . . . . 93 GLY CA . 16161 1 981 . 1 1 93 93 GLY N N 15 105.864 0.400 . 1 . . . . 93 GLY N . 16161 1 982 . 1 1 94 94 TYR H H 1 7.678 0.020 . 1 . . . . 94 TYR H . 16161 1 983 . 1 1 94 94 TYR HA H 1 4.196 0.020 . 1 . . . . 94 TYR HA . 16161 1 984 . 1 1 94 94 TYR HB2 H 1 1.631 0.020 . 2 . . . . 94 TYR HB2 . 16161 1 985 . 1 1 94 94 TYR HB3 H 1 1.409 0.020 . 2 . . . . 94 TYR HB3 . 16161 1 986 . 1 1 94 94 TYR HD1 H 1 6.341 0.020 . 1 . . . . 94 TYR HD1 . 16161 1 987 . 1 1 94 94 TYR HD2 H 1 6.341 0.020 . 1 . . . . 94 TYR HD2 . 16161 1 988 . 1 1 94 94 TYR HE1 H 1 6.877 0.020 . 1 . . . . 94 TYR HE1 . 16161 1 989 . 1 1 94 94 TYR HE2 H 1 6.877 0.020 . 1 . . . . 94 TYR HE2 . 16161 1 990 . 1 1 94 94 TYR CA C 13 56.649 0.400 . 1 . . . . 94 TYR CA . 16161 1 991 . 1 1 94 94 TYR CB C 13 37.190 0.400 . 1 . . . . 94 TYR CB . 16161 1 992 . 1 1 94 94 TYR CD1 C 13 131.243 0.400 . 1 . . . . 94 TYR CD1 . 16161 1 993 . 1 1 94 94 TYR CE1 C 13 118.302 0.400 . 1 . . . . 94 TYR CE1 . 16161 1 994 . 1 1 94 94 TYR N N 15 117.772 0.400 . 1 . . . . 94 TYR N . 16161 1 995 . 1 1 95 95 MET H H 1 6.822 0.020 . 1 . . . . 95 MET H . 16161 1 996 . 1 1 95 95 MET HA H 1 4.424 0.020 . 1 . . . . 95 MET HA . 16161 1 997 . 1 1 95 95 MET HB2 H 1 2.247 0.020 . 2 . . . . 95 MET HB2 . 16161 1 998 . 1 1 95 95 MET HB3 H 1 1.590 0.020 . 2 . . . . 95 MET HB3 . 16161 1 999 . 1 1 95 95 MET HE1 H 1 2.343 0.020 . 1 . . . . 95 MET HE . 16161 1 1000 . 1 1 95 95 MET HE2 H 1 2.343 0.020 . 1 . . . . 95 MET HE . 16161 1 1001 . 1 1 95 95 MET HE3 H 1 2.343 0.020 . 1 . . . . 95 MET HE . 16161 1 1002 . 1 1 95 95 MET HG2 H 1 2.598 0.020 . 2 . . . . 95 MET HG2 . 16161 1 1003 . 1 1 95 95 MET HG3 H 1 2.599 0.020 . 2 . . . . 95 MET HG3 . 16161 1 1004 . 1 1 95 95 MET CA C 13 54.199 0.400 . 1 . . . . 95 MET CA . 16161 1 1005 . 1 1 95 95 MET CB C 13 37.575 0.400 . 1 . . . . 95 MET CB . 16161 1 1006 . 1 1 95 95 MET CE C 13 17.52 0.400 . 1 . . . . 95 MET CE . 16161 1 1007 . 1 1 95 95 MET CG C 13 32.332 0.400 . 1 . . . . 95 MET CG . 16161 1 1008 . 1 1 95 95 MET N N 15 113.072 0.400 . 1 . . . . 95 MET N . 16161 1 1009 . 1 1 96 96 GLU H H 1 8.651 0.020 . 1 . . . . 96 GLU H . 16161 1 1010 . 1 1 96 96 GLU HA H 1 4.325 0.020 . 1 . . . . 96 GLU HA . 16161 1 1011 . 1 1 96 96 GLU HB2 H 1 2.023 0.020 . 2 . . . . 96 GLU HB2 . 16161 1 1012 . 1 1 96 96 GLU HB3 H 1 1.904 0.020 . 2 . . . . 96 GLU HB3 . 16161 1 1013 . 1 1 96 96 GLU HG2 H 1 2.177 0.020 . 2 . . . . 96 GLU HG2 . 16161 1 1014 . 1 1 96 96 GLU HG3 H 1 2.177 0.020 . 2 . . . . 96 GLU HG3 . 16161 1 1015 . 1 1 96 96 GLU CA C 13 56.841 0.400 . 1 . . . . 96 GLU CA . 16161 1 1016 . 1 1 96 96 GLU CB C 13 31.526 0.400 . 1 . . . . 96 GLU CB . 16161 1 1017 . 1 1 96 96 GLU CG C 13 36.010 0.400 . 1 . . . . 96 GLU CG . 16161 1 1018 . 1 1 96 96 GLU N N 15 119.887 0.400 . 1 . . . . 96 GLU N . 16161 1 1019 . 1 1 97 97 ASN H H 1 8.024 0.020 . 1 . . . . 97 ASN H . 16161 1 1020 . 1 1 97 97 ASN HA H 1 4.793 0.020 . 1 . . . . 97 ASN HA . 16161 1 1021 . 1 1 97 97 ASN HB2 H 1 2.669 0.020 . 2 . . . . 97 ASN HB2 . 16161 1 1022 . 1 1 97 97 ASN HB3 H 1 2.663 0.020 . 2 . . . . 97 ASN HB3 . 16161 1 1023 . 1 1 97 97 ASN HD21 H 1 7.635 0.020 . 2 . . . . 97 ASN HD21 . 16161 1 1024 . 1 1 97 97 ASN HD22 H 1 7.019 0.020 . 2 . . . . 97 ASN HD22 . 16161 1 1025 . 1 1 97 97 ASN CA C 13 52.048 0.400 . 1 . . . . 97 ASN CA . 16161 1 1026 . 1 1 97 97 ASN CB C 13 40.616 0.400 . 1 . . . . 97 ASN CB . 16161 1 1027 . 1 1 97 97 ASN N N 15 116.867 0.400 . 1 . . . . 97 ASN N . 16161 1 1028 . 1 1 97 97 ASN ND2 N 15 113.955 0.400 . 1 . . . . 97 ASN ND2 . 16161 1 1029 . 1 1 98 98 ASP H H 1 8.474 0.020 . 1 . . . . 98 ASP H . 16161 1 1030 . 1 1 98 98 ASP HA H 1 4.937 0.020 . 1 . . . . 98 ASP HA . 16161 1 1031 . 1 1 98 98 ASP HB2 H 1 2.947 0.020 . 2 . . . . 98 ASP HB2 . 16161 1 1032 . 1 1 98 98 ASP HB3 H 1 2.535 0.020 . 2 . . . . 98 ASP HB3 . 16161 1 1033 . 1 1 98 98 ASP CA C 13 54.520 0.400 . 1 . . . . 98 ASP CA . 16161 1 1034 . 1 1 98 98 ASP CB C 13 41.706 0.400 . 1 . . . . 98 ASP CB . 16161 1 1035 . 1 1 98 98 ASP N N 15 119.956 0.400 . 1 . . . . 98 ASP N . 16161 1 1036 . 1 1 99 99 PRO HA H 1 4.452 0.020 . 1 . . . . 99 PRO HA . 16161 1 1037 . 1 1 99 99 PRO HB2 H 1 2.031 0.020 . 2 . . . . 99 PRO HB2 . 16161 1 1038 . 1 1 99 99 PRO HB3 H 1 1.494 0.020 . 2 . . . . 99 PRO HB3 . 16161 1 1039 . 1 1 99 99 PRO HD2 H 1 4.173 0.020 . 2 . . . . 99 PRO HD2 . 16161 1 1040 . 1 1 99 99 PRO HD3 H 1 4.050 0.020 . 2 . . . . 99 PRO HD3 . 16161 1 1041 . 1 1 99 99 PRO HG2 H 1 1.804 0.020 . 2 . . . . 99 PRO HG2 . 16161 1 1042 . 1 1 99 99 PRO HG3 H 1 1.543 0.020 . 2 . . . . 99 PRO HG3 . 16161 1 1043 . 1 1 99 99 PRO CA C 13 63.760 0.400 . 1 . . . . 99 PRO CA . 16161 1 1044 . 1 1 99 99 PRO CB C 13 31.480 0.400 . 1 . . . . 99 PRO CB . 16161 1 1045 . 1 1 99 99 PRO CD C 13 50.031 0.400 . 1 . . . . 99 PRO CD . 16161 1 1046 . 1 1 99 99 PRO CG C 13 26.254 0.400 . 1 . . . . 99 PRO CG . 16161 1 1047 . 1 1 100 100 PHE H H 1 8.428 0.020 . 1 . . . . 100 PHE H . 16161 1 1048 . 1 1 100 100 PHE HA H 1 4.417 0.020 . 1 . . . . 100 PHE HA . 16161 1 1049 . 1 1 100 100 PHE HB2 H 1 3.269 0.020 . 2 . . . . 100 PHE HB2 . 16161 1 1050 . 1 1 100 100 PHE HB3 H 1 3.183 0.020 . 2 . . . . 100 PHE HB3 . 16161 1 1051 . 1 1 100 100 PHE HD1 H 1 7.217 0.020 . 1 . . . . 100 PHE HD1 . 16161 1 1052 . 1 1 100 100 PHE HD2 H 1 7.217 0.020 . 1 . . . . 100 PHE HD2 . 16161 1 1053 . 1 1 100 100 PHE CA C 13 59.435 0.400 . 1 . . . . 100 PHE CA . 16161 1 1054 . 1 1 100 100 PHE CB C 13 38.511 0.400 . 1 . . . . 100 PHE CB . 16161 1 1055 . 1 1 100 100 PHE CD1 C 13 131.930 0.400 . 1 . . . . 100 PHE CD1 . 16161 1 1056 . 1 1 100 100 PHE N N 15 116.026 0.400 . 1 . . . . 100 PHE N . 16161 1 1057 . 1 1 101 101 LYS H H 1 7.372 0.020 . 1 . . . . 101 LYS H . 16161 1 1058 . 1 1 101 101 LYS HA H 1 4.004 0.020 . 1 . . . . 101 LYS HA . 16161 1 1059 . 1 1 101 101 LYS HB2 H 1 1.944 0.020 . 2 . . . . 101 LYS HB2 . 16161 1 1060 . 1 1 101 101 LYS HB3 H 1 1.825 0.020 . 2 . . . . 101 LYS HB3 . 16161 1 1061 . 1 1 101 101 LYS HD2 H 1 1.766 0.020 . 2 . . . . 101 LYS HD2 . 16161 1 1062 . 1 1 101 101 LYS HD3 H 1 1.714 0.020 . 2 . . . . 101 LYS HD3 . 16161 1 1063 . 1 1 101 101 LYS HE2 H 1 3.061 0.020 . 2 . . . . 101 LYS HE2 . 16161 1 1064 . 1 1 101 101 LYS HE3 H 1 3.058 0.020 . 2 . . . . 101 LYS HE3 . 16161 1 1065 . 1 1 101 101 LYS HG2 H 1 1.435 0.020 . 2 . . . . 101 LYS HG2 . 16161 1 1066 . 1 1 101 101 LYS HG3 H 1 1.434 0.020 . 2 . . . . 101 LYS HG3 . 16161 1 1067 . 1 1 101 101 LYS CA C 13 59.388 0.400 . 1 . . . . 101 LYS CA . 16161 1 1068 . 1 1 101 101 LYS CB C 13 32.409 0.400 . 1 . . . . 101 LYS CB . 16161 1 1069 . 1 1 101 101 LYS CD C 13 29.242 0.400 . 1 . . . . 101 LYS CD . 16161 1 1070 . 1 1 101 101 LYS CE C 13 41.780 0.400 . 1 . . . . 101 LYS CE . 16161 1 1071 . 1 1 101 101 LYS CG C 13 24.018 0.400 . 1 . . . . 101 LYS CG . 16161 1 1072 . 1 1 101 101 LYS N N 15 122.875 0.400 . 1 . . . . 101 LYS N . 16161 1 1073 . 1 1 102 102 ASP H H 1 8.876 0.020 . 1 . . . . 102 ASP H . 16161 1 1074 . 1 1 102 102 ASP HA H 1 4.838 0.020 . 1 . . . . 102 ASP HA . 16161 1 1075 . 1 1 102 102 ASP HB2 H 1 2.848 0.020 . 2 . . . . 102 ASP HB2 . 16161 1 1076 . 1 1 102 102 ASP HB3 H 1 2.475 0.020 . 2 . . . . 102 ASP HB3 . 16161 1 1077 . 1 1 102 102 ASP CA C 13 53.910 0.400 . 1 . . . . 102 ASP CA . 16161 1 1078 . 1 1 102 102 ASP CB C 13 41.058 0.400 . 1 . . . . 102 ASP CB . 16161 1 1079 . 1 1 102 102 ASP N N 15 118.685 0.400 . 1 . . . . 102 ASP N . 16161 1 1080 . 1 1 103 103 PHE H H 1 7.652 0.020 . 1 . . . . 103 PHE H . 16161 1 1081 . 1 1 103 103 PHE HA H 1 4.393 0.020 . 1 . . . . 103 PHE HA . 16161 1 1082 . 1 1 103 103 PHE HB2 H 1 3.191 0.020 . 2 . . . . 103 PHE HB2 . 16161 1 1083 . 1 1 103 103 PHE HB3 H 1 3.180 0.020 . 2 . . . . 103 PHE HB3 . 16161 1 1084 . 1 1 103 103 PHE HD1 H 1 7.222 0.020 . 1 . . . . 103 PHE HD1 . 16161 1 1085 . 1 1 103 103 PHE HD2 H 1 7.222 0.020 . 1 . . . . 103 PHE HD2 . 16161 1 1086 . 1 1 103 103 PHE HE1 H 1 6.933 0.020 . 1 . . . . 103 PHE HE1 . 16161 1 1087 . 1 1 103 103 PHE HE2 H 1 6.933 0.020 . 1 . . . . 103 PHE HE2 . 16161 1 1088 . 1 1 103 103 PHE CA C 13 58.715 0.400 . 1 . . . . 103 PHE CA . 16161 1 1089 . 1 1 103 103 PHE CB C 13 40.145 0.400 . 1 . . . . 103 PHE CB . 16161 1 1090 . 1 1 103 103 PHE CD1 C 13 132.028 0.400 . 1 . . . . 103 PHE CD1 . 16161 1 1091 . 1 1 103 103 PHE CE1 C 13 130.287 0.400 . 1 . . . . 103 PHE CE1 . 16161 1 1092 . 1 1 103 103 PHE N N 15 120.780 0.400 . 1 . . . . 103 PHE N . 16161 1 1093 . 1 1 104 104 GLY H H 1 8.360 0.020 . 1 . . . . 104 GLY H . 16161 1 1094 . 1 1 104 104 GLY HA2 H 1 3.826 0.020 . 2 . . . . 104 GLY HA2 . 16161 1 1095 . 1 1 104 104 GLY HA3 H 1 3.774 0.020 . 2 . . . . 104 GLY HA3 . 16161 1 1096 . 1 1 104 104 GLY CA C 13 45.550 0.400 . 1 . . . . 104 GLY CA . 16161 1 1097 . 1 1 104 104 GLY N N 15 110.690 0.400 . 1 . . . . 104 GLY N . 16161 1 1098 . 1 1 105 105 LEU H H 1 7.962 0.020 . 1 . . . . 105 LEU H . 16161 1 1099 . 1 1 105 105 LEU HA H 1 4.239 0.020 . 1 . . . . 105 LEU HA . 16161 1 1100 . 1 1 105 105 LEU HB2 H 1 1.589 0.020 . 2 . . . . 105 LEU HB2 . 16161 1 1101 . 1 1 105 105 LEU HB3 H 1 1.520 0.020 . 2 . . . . 105 LEU HB3 . 16161 1 1102 . 1 1 105 105 LEU HD11 H 1 0.823 0.020 . 2 . . . . 105 LEU HD1 . 16161 1 1103 . 1 1 105 105 LEU HD12 H 1 0.823 0.020 . 2 . . . . 105 LEU HD1 . 16161 1 1104 . 1 1 105 105 LEU HD13 H 1 0.823 0.020 . 2 . . . . 105 LEU HD1 . 16161 1 1105 . 1 1 105 105 LEU HD21 H 1 0.821 0.020 . 2 . . . . 105 LEU HD2 . 16161 1 1106 . 1 1 105 105 LEU HD22 H 1 0.821 0.020 . 2 . . . . 105 LEU HD2 . 16161 1 1107 . 1 1 105 105 LEU HD23 H 1 0.821 0.020 . 2 . . . . 105 LEU HD2 . 16161 1 1108 . 1 1 105 105 LEU HG H 1 1.556 0.020 . 1 . . . . 105 LEU HG . 16161 1 1109 . 1 1 105 105 LEU CA C 13 55.207 0.400 . 1 . . . . 105 LEU CA . 16161 1 1110 . 1 1 105 105 LEU CB C 13 42.163 0.400 . 1 . . . . 105 LEU CB . 16161 1 1111 . 1 1 105 105 LEU CD1 C 13 23.137 0.400 . 1 . . . . 105 LEU CD1 . 16161 1 1112 . 1 1 105 105 LEU CD2 C 13 23.137 0.400 . 1 . . . . 105 LEU CD2 . 16161 1 1113 . 1 1 105 105 LEU CG C 13 27.081 0.400 . 1 . . . . 105 LEU CG . 16161 1 1114 . 1 1 105 105 LEU N N 15 120.878 0.400 . 1 . . . . 105 LEU N . 16161 1 1115 . 1 1 106 106 GLU H H 1 8.438 0.020 . 1 . . . . 106 GLU H . 16161 1 1116 . 1 1 106 106 GLU HA H 1 4.148 0.020 . 1 . . . . 106 GLU HA . 16161 1 1117 . 1 1 106 106 GLU HB2 H 1 1.893 0.020 . 2 . . . . 106 GLU HB2 . 16161 1 1118 . 1 1 106 106 GLU HB3 H 1 1.823 0.020 . 2 . . . . 106 GLU HB3 . 16161 1 1119 . 1 1 106 106 GLU HG2 H 1 2.167 0.020 . 2 . . . . 106 GLU HG2 . 16161 1 1120 . 1 1 106 106 GLU HG3 H 1 2.096 0.020 . 2 . . . . 106 GLU HG3 . 16161 1 1121 . 1 1 106 106 GLU CA C 13 56.505 0.400 . 1 . . . . 106 GLU CA . 16161 1 1122 . 1 1 106 106 GLU CB C 13 29.839 0.400 . 1 . . . . 106 GLU CB . 16161 1 1123 . 1 1 106 106 GLU CG C 13 36.010 0.400 . 1 . . . . 106 GLU CG . 16161 1 1124 . 1 1 106 106 GLU N N 15 120.199 0.400 . 1 . . . . 106 GLU N . 16161 1 1125 . 1 1 107 107 HIS H H 1 8.192 0.020 . 1 . . . . 107 HIS H . 16161 1 1126 . 1 1 107 107 HIS HA H 1 4.624 0.020 . 1 . . . . 107 HIS HA . 16161 1 1127 . 1 1 107 107 HIS HB2 H 1 3.162 0.020 . 2 . . . . 107 HIS HB2 . 16161 1 1128 . 1 1 107 107 HIS HB3 H 1 3.114 0.020 . 2 . . . . 107 HIS HB3 . 16161 1 1129 . 1 1 107 107 HIS HD2 H 1 7.080 0.020 . 1 . . . . 107 HIS HD2 . 16161 1 1130 . 1 1 107 107 HIS HE1 H 1 8.080 0.020 . 1 . . . . 107 HIS HE1 . 16161 1 1131 . 1 1 107 107 HIS CA C 13 55.639 0.400 . 1 . . . . 107 HIS CA . 16161 1 1132 . 1 1 107 107 HIS CB C 13 29.935 0.400 . 1 . . . . 107 HIS CB . 16161 1 1133 . 1 1 107 107 HIS CD2 C 13 119.840 0.400 . 1 . . . . 107 HIS CD2 . 16161 1 1134 . 1 1 107 107 HIS CE1 C 13 136.050 0.400 . 1 . . . . 107 HIS CE1 . 16161 1 1135 . 1 1 107 107 HIS N N 15 119.385 0.400 . 1 . . . . 107 HIS N . 16161 1 1136 . 1 1 108 108 HIS H H 1 8.152 0.020 . 1 . . . . 108 HIS H . 16161 1 1137 . 1 1 108 108 HIS HA H 1 4.620 0.020 . 1 . . . . 108 HIS HA . 16161 1 1138 . 1 1 108 108 HIS HB2 H 1 3.120 0.020 . 2 . . . . 108 HIS HB2 . 16161 1 1139 . 1 1 108 108 HIS HB3 H 1 3.110 0.020 . 2 . . . . 108 HIS HB3 . 16161 1 1140 . 1 1 108 108 HIS HD2 H 1 7.080 0.020 . 1 . . . . 108 HIS HD2 . 16161 1 1141 . 1 1 108 108 HIS HE1 H 1 8.080 0.020 . 1 . . . . 108 HIS HE1 . 16161 1 1142 . 1 1 108 108 HIS CA C 13 56.370 0.400 . 1 . . . . 108 HIS CA . 16161 1 1143 . 1 1 108 108 HIS CB C 13 29.950 0.400 . 1 . . . . 108 HIS CB . 16161 1 1144 . 1 1 108 108 HIS CD2 C 13 119.840 0.400 . 1 . . . . 108 HIS CD2 . 16161 1 1145 . 1 1 108 108 HIS CE1 C 13 136.050 0.400 . 1 . . . . 108 HIS CE1 . 16161 1 1146 . 1 1 108 108 HIS N N 15 125.207 0.400 . 1 . . . . 108 HIS N . 16161 1 stop_ save_