data_15371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15371 _Entry.Title ; antimicrobial resistance protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-10 _Entry.Accession_date 2007-07-10 _Entry.Last_release_date 2008-08-18 _Entry.Original_release_date 2008-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Changwen Jin . . . 15371 2 Wenyu Fu . . . 15371 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 . 'not applicable' 'not applicable' . 15371 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 15371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 15371 '15N chemical shifts' 95 15371 '1H chemical shifts' 591 15371 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-18 2007-07-10 original author . 15371 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JSO 'BMRB Entry Tracking System' 15371 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15371 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17686460 _Citation.Full_citation . _Citation.Title 'First structure of the polymyxin resistance proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and Biophysical Research Communications' _Citation.Journal_volume 361 _Citation.Journal_issue 4 _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 1033 _Citation.Page_last 1037 _Citation.Year 2007 _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 Wenyu Fu . . . 15371 1 2 Fan Yang . . . 15371 1 3 Xue Kang . . . 15371 1 4 Xinxin Zhang . . . 15371 1 5 You Li . . . 15371 1 6 Bin Xia . . . 15371 1 7 Changwen Jin . . . 15371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15371 _Assembly.ID 1 _Assembly.Name 'antimicrobial resistance protein' _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 'antimicrobial resistance protein' 1 $antimicrobial_resistance_protein A . yes native no no . . . 15371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_antimicrobial_resistance_protein _Entity.Sf_category entity _Entity.Sf_framecode antimicrobial_resistance_protein _Entity.Entry_ID 15371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name antimicrobial_resistance_protein _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 ; MEWLVKKSCCNKQDNRHVLM LCDAGGAIKMIAEVKSDFAV KVGDLLSPLQNALYCINREK LHTVKVLSASSYSPDEWERQ CKVAGKTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9887.615 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JSO . "Antimicrobial Resistance Protein" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 2 no PDB 4HN7 . "Crystal Structure Of E. Coli Pmrd" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 3 no DBJ BAA16079 . "polymyxin resistance protein B [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 4 no DBJ BAB36570 . "polymyxin resistance protein B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 98 98.86 98.86 1.62e-56 . . . . 15371 1 5 no DBJ BAG78043 . "polymyxin resistance protein [Escherichia coli SE11]" . . . . . 100.00 88 97.73 97.73 4.56e-56 . . . . 15371 1 6 no DBJ BAI26457 . "polymyxin resistance protein B [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 88 97.73 97.73 4.56e-56 . . . . 15371 1 7 no DBJ BAI31496 . "polymyxin resistance protein B [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 8 no EMBL CAQ32662 . "polymyxin B resistance protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 9 no EMBL CAQ99179 . "polymyxin resistance protein B [Escherichia coli IAI1]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 10 no EMBL CAR13784 . "polymyxin resistance protein B [Escherichia coli UMN026]" . . . . . 100.00 88 97.73 97.73 4.56e-56 . . . . 15371 1 11 no EMBL CAU98375 . "polymyxin resistance protein B [Escherichia coli 55989]" . . . . . 100.00 88 98.86 98.86 3.96e-56 . . . . 15371 1 12 no EMBL CBG35335 . "polymyxin B resistance protein [Escherichia coli 042]" . . . . . 100.00 88 97.73 97.73 4.56e-56 . . . . 15371 1 13 no GB AAC75319 . "inactive two-component system connector protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 14 no GB AAG57391 . "polymyxin resistance protein B [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 98 98.86 98.86 1.62e-56 . . . . 15371 1 15 no GB AAG57392 . "hypothetical protein Z3518 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 88 98.86 98.86 3.08e-56 . . . . 15371 1 16 no GB AAV92796 . "PmrD [Escherichia coli]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 17 no GB AAV92797 . "PmrD [Escherichia coli]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 18 no REF NP_311174 . "polymyxin resistance protein B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 98 98.86 98.86 1.62e-56 . . . . 15371 1 19 no REF NP_416762 . "inactive two-component system connector protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 20 no REF WP_000854949 . "signal transduction protein PmrD [Escherichia coli]" . . . . . 100.00 98 98.86 98.86 1.62e-56 . . . . 15371 1 21 no REF WP_001295285 . "MULTISPECIES: signal transduction protein PmrD [Proteobacteria]" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 1 22 no REF WP_001297080 . "MULTISPECIES: signal transduction protein PmrD [Enterobacteriaceae]" . . . . . 100.00 88 97.73 97.73 4.56e-56 . . . . 15371 1 23 no SP P37590 . "RecName: Full=Signal transduction protein PmrD; AltName: Full=BasR post-transcriptional activator; AltName: Full=Polymyxin resi" . . . . . 100.00 88 100.00 100.00 2.49e-57 . . . . 15371 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 . 15371 1 2 . GLU . 15371 1 3 . TRP . 15371 1 4 . LEU . 15371 1 5 . VAL . 15371 1 6 . LYS . 15371 1 7 . LYS . 15371 1 8 . SER . 15371 1 9 . CYS . 15371 1 10 . CYS . 15371 1 11 . ASN . 15371 1 12 . LYS . 15371 1 13 . GLN . 15371 1 14 . ASP . 15371 1 15 . ASN . 15371 1 16 . ARG . 15371 1 17 . HIS . 15371 1 18 . VAL . 15371 1 19 . LEU . 15371 1 20 . MET . 15371 1 21 . LEU . 15371 1 22 . CYS . 15371 1 23 . ASP . 15371 1 24 . ALA . 15371 1 25 . GLY . 15371 1 26 . GLY . 15371 1 27 . ALA . 15371 1 28 . ILE . 15371 1 29 . LYS . 15371 1 30 . MET . 15371 1 31 . ILE . 15371 1 32 . ALA . 15371 1 33 . GLU . 15371 1 34 . VAL . 15371 1 35 . LYS . 15371 1 36 . SER . 15371 1 37 . ASP . 15371 1 38 . PHE . 15371 1 39 . ALA . 15371 1 40 . VAL . 15371 1 41 . LYS . 15371 1 42 . VAL . 15371 1 43 . GLY . 15371 1 44 . ASP . 15371 1 45 . LEU . 15371 1 46 . LEU . 15371 1 47 . SER . 15371 1 48 . PRO . 15371 1 49 . LEU . 15371 1 50 . GLN . 15371 1 51 . ASN . 15371 1 52 . ALA . 15371 1 53 . LEU . 15371 1 54 . TYR . 15371 1 55 . CYS . 15371 1 56 . ILE . 15371 1 57 . ASN . 15371 1 58 . ARG . 15371 1 59 . GLU . 15371 1 60 . LYS . 15371 1 61 . LEU . 15371 1 62 . HIS . 15371 1 63 . THR . 15371 1 64 . VAL . 15371 1 65 . LYS . 15371 1 66 . VAL . 15371 1 67 . LEU . 15371 1 68 . SER . 15371 1 69 . ALA . 15371 1 70 . SER . 15371 1 71 . SER . 15371 1 72 . TYR . 15371 1 73 . SER . 15371 1 74 . PRO . 15371 1 75 . ASP . 15371 1 76 . GLU . 15371 1 77 . TRP . 15371 1 78 . GLU . 15371 1 79 . ARG . 15371 1 80 . GLN . 15371 1 81 . CYS . 15371 1 82 . LYS . 15371 1 83 . VAL . 15371 1 84 . ALA . 15371 1 85 . GLY . 15371 1 86 . LYS . 15371 1 87 . THR . 15371 1 88 . GLN . 15371 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 15371 1 . GLU 2 2 15371 1 . TRP 3 3 15371 1 . LEU 4 4 15371 1 . VAL 5 5 15371 1 . LYS 6 6 15371 1 . LYS 7 7 15371 1 . SER 8 8 15371 1 . CYS 9 9 15371 1 . CYS 10 10 15371 1 . ASN 11 11 15371 1 . LYS 12 12 15371 1 . GLN 13 13 15371 1 . ASP 14 14 15371 1 . ASN 15 15 15371 1 . ARG 16 16 15371 1 . HIS 17 17 15371 1 . VAL 18 18 15371 1 . LEU 19 19 15371 1 . MET 20 20 15371 1 . LEU 21 21 15371 1 . CYS 22 22 15371 1 . ASP 23 23 15371 1 . ALA 24 24 15371 1 . GLY 25 25 15371 1 . GLY 26 26 15371 1 . ALA 27 27 15371 1 . ILE 28 28 15371 1 . LYS 29 29 15371 1 . MET 30 30 15371 1 . ILE 31 31 15371 1 . ALA 32 32 15371 1 . GLU 33 33 15371 1 . VAL 34 34 15371 1 . LYS 35 35 15371 1 . SER 36 36 15371 1 . ASP 37 37 15371 1 . PHE 38 38 15371 1 . ALA 39 39 15371 1 . VAL 40 40 15371 1 . LYS 41 41 15371 1 . VAL 42 42 15371 1 . GLY 43 43 15371 1 . ASP 44 44 15371 1 . LEU 45 45 15371 1 . LEU 46 46 15371 1 . SER 47 47 15371 1 . PRO 48 48 15371 1 . LEU 49 49 15371 1 . GLN 50 50 15371 1 . ASN 51 51 15371 1 . ALA 52 52 15371 1 . LEU 53 53 15371 1 . TYR 54 54 15371 1 . CYS 55 55 15371 1 . ILE 56 56 15371 1 . ASN 57 57 15371 1 . ARG 58 58 15371 1 . GLU 59 59 15371 1 . LYS 60 60 15371 1 . LEU 61 61 15371 1 . HIS 62 62 15371 1 . THR 63 63 15371 1 . VAL 64 64 15371 1 . LYS 65 65 15371 1 . VAL 66 66 15371 1 . LEU 67 67 15371 1 . SER 68 68 15371 1 . ALA 69 69 15371 1 . SER 70 70 15371 1 . SER 71 71 15371 1 . TYR 72 72 15371 1 . SER 73 73 15371 1 . PRO 74 74 15371 1 . ASP 75 75 15371 1 . GLU 76 76 15371 1 . TRP 77 77 15371 1 . GLU 78 78 15371 1 . ARG 79 79 15371 1 . GLN 80 80 15371 1 . CYS 81 81 15371 1 . LYS 82 82 15371 1 . VAL 83 83 15371 1 . ALA 84 84 15371 1 . GLY 85 85 15371 1 . LYS 86 86 15371 1 . THR 87 87 15371 1 . GLN 88 88 15371 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 15371 _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 $antimicrobial_resistance_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 15371 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 15371 _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 $antimicrobial_resistance_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 . . . . . . . . . . . . . . . pET21a(+) . . . . . . 15371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled _Sample.Entry_ID 15371 _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 'antimicrobial resistance protein' '[U-100% 15N]' . . 1 $antimicrobial_resistance_protein . . 1 . . mM . . . . 15371 1 stop_ save_ save_15N_13C-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-labeled _Sample.Entry_ID 15371 _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 'antimicrobial resistance protein' '[U-100% 13C; U-100% 15N]' . . 1 $antimicrobial_resistance_protein . . 1 . . mM . . . . 15371 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 15371 _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' 80 . mM 15371 1 pH 6.3 . pH 15371 1 pressure 1 . atm 15371 1 temperature 298 . K 15371 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15371 _Software.ID 1 _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' . . 15371 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15371 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15371 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15371 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15371 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15371 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15371 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15371 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15371 _Software.ID 4 _Software.Name AMBER _Software.Version 7.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15371 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15371 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_bruker_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode bruker_600 _NMR_spectrometer.Entry_ID 15371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_bruker_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode bruker_800 _NMR_spectrometer.Entry_ID 15371 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15371 _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 bruker_600 Bruker Avance . 600 . . . 15371 1 2 bruker_800 Bruker Avance . 800 . . . 15371 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 15371 _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 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 4 '3D HNCO' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 5 '3D HNCA' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 6 '3D HNCACB' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 10 '3D HNHA' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 2 $bruker_800 . . . . . . . . . . . . . . . . 15371 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 2 $bruker_800 . . . . . . . . . . . . . . . . 15371 1 13 '3D HCCH-COSY' no . . . . . . . . . . 2 $15N_13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $bruker_600 . . . . . . . . . . . . . . . . 15371 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 15371 _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 . . . . . . . . . 15371 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15371 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15371 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 15371 _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' . . . 15371 1 2 '2D 1H-13C HSQC' . . . 15371 1 3 '3D CBCA(CO)NH' . . . 15371 1 4 '3D HNCO' . . . 15371 1 5 '3D HNCA' . . . 15371 1 6 '3D HNCACB' . . . 15371 1 7 '3D HBHA(CO)NH' . . . 15371 1 8 '3D HN(CO)CA' . . . 15371 1 9 '3D HCCH-TOCSY' . . . 15371 1 10 '3D HNHA' . . . 15371 1 11 '3D 1H-15N NOESY' . . . 15371 1 12 '3D 1H-13C NOESY' . . . 15371 1 13 '3D HCCH-COSY' . . . 15371 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 1 $NMRPipe . . 15371 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 1 1 MET HA H 1 3.921 . . 1 . . . . 1 M HA . 15371 1 2 . 1 1 1 1 MET HB2 H 1 1.640 . . 2 . . . . 1 M HB1 . 15371 1 3 . 1 1 1 1 MET HB3 H 1 1.830 . . 2 . . . . 1 M HB2 . 15371 1 4 . 1 1 1 1 MET HE1 H 1 1.718 . . 1 . . . . 1 M HE1 . 15371 1 5 . 1 1 1 1 MET HE2 H 1 1.718 . . 1 . . . . 1 M HE1 . 15371 1 6 . 1 1 1 1 MET HE3 H 1 1.718 . . 1 . . . . 1 M HE1 . 15371 1 7 . 1 1 1 1 MET HG2 H 1 1.775 . . 2 . . . . 1 M HG2 . 15371 1 8 . 1 1 1 1 MET C C 13 170.709 . . 1 . . . . 1 M C . 15371 1 9 . 1 1 1 1 MET CA C 13 54.897 . . 1 . . . . 1 M CA . 15371 1 10 . 1 1 1 1 MET CB C 13 32.861 . . 1 . . . . 1 M CB . 15371 1 11 . 1 1 1 1 MET CE C 13 16.577 . . 1 . . . . 1 M CE . 15371 1 12 . 1 1 1 1 MET CG C 13 30.420 . . 1 . . . . 1 M CG . 15371 1 13 . 1 1 2 2 GLU H H 1 7.999 . . 1 . . . . 2 E HN . 15371 1 14 . 1 1 2 2 GLU HA H 1 4.984 . . 1 . . . . 2 E HA . 15371 1 15 . 1 1 2 2 GLU HB2 H 1 1.870 . . 2 . . . . 2 E HB1 . 15371 1 16 . 1 1 2 2 GLU HB3 H 1 1.969 . . 2 . . . . 2 E HB2 . 15371 1 17 . 1 1 2 2 GLU HG2 H 1 2.175 . . 2 . . . . 2 E HG1 . 15371 1 18 . 1 1 2 2 GLU HG3 H 1 2.392 . . 2 . . . . 2 E HG2 . 15371 1 19 . 1 1 2 2 GLU C C 13 175.094 . . 1 . . . . 2 E C . 15371 1 20 . 1 1 2 2 GLU CA C 13 55.120 . . 1 . . . . 2 E CA . 15371 1 21 . 1 1 2 2 GLU CB C 13 31.950 . . 1 . . . . 2 E CB . 15371 1 22 . 1 1 2 2 GLU CG C 13 37.750 . . 1 . . . . 2 E CG . 15371 1 23 . 1 1 2 2 GLU N N 15 120.908 . . 1 . . . . 2 E N . 15371 1 24 . 1 1 3 3 TRP H H 1 8.696 . . 1 . . . . 3 W HN . 15371 1 25 . 1 1 3 3 TRP HA H 1 5.013 . . 1 . . . . 3 W HA . 15371 1 26 . 1 1 3 3 TRP HB2 H 1 2.680 . . 2 . . . . 3 W HB1 . 15371 1 27 . 1 1 3 3 TRP HB3 H 1 3.023 . . 2 . . . . 3 W HB2 . 15371 1 28 . 1 1 3 3 TRP HD1 H 1 6.703 . . 1 . . . . 3 W HD1 . 15371 1 29 . 1 1 3 3 TRP HE1 H 1 9.640 . . 3 . . . . 3 W HE1 . 15371 1 30 . 1 1 3 3 TRP HE3 H 1 7.042 . . 3 . . . . 3 W HE3 . 15371 1 31 . 1 1 3 3 TRP HZ2 H 1 7.361 . . 3 . . . . 3 W HZ2 . 15371 1 32 . 1 1 3 3 TRP C C 13 174.415 . . 1 . . . . 3 W C . 15371 1 33 . 1 1 3 3 TRP CA C 13 55.120 . . 1 . . . . 3 W CA . 15371 1 34 . 1 1 3 3 TRP CB C 13 34.680 . . 1 . . . . 3 W CB . 15371 1 35 . 1 1 3 3 TRP N N 15 120.490 . . 1 . . . . 3 W N . 15371 1 36 . 1 1 3 3 TRP NE1 N 15 127.580 . . 1 . . . . 3 W NE1 . 15371 1 37 . 1 1 4 4 LEU H H 1 9.575 . . 1 . . . . 4 L HN . 15371 1 38 . 1 1 4 4 LEU HA H 1 5.102 . . 1 . . . . 4 L HA . 15371 1 39 . 1 1 4 4 LEU HB2 H 1 1.560 . . 2 . . . . 4 L HB2 . 15371 1 40 . 1 1 4 4 LEU HD11 H 1 0.849 . . 2 . . . . 4 L HD11 . 15371 1 41 . 1 1 4 4 LEU HD12 H 1 0.849 . . 2 . . . . 4 L HD11 . 15371 1 42 . 1 1 4 4 LEU HD13 H 1 0.849 . . 2 . . . . 4 L HD11 . 15371 1 43 . 1 1 4 4 LEU HG H 1 1.470 . . 1 . . . . 4 L HG . 15371 1 44 . 1 1 4 4 LEU C C 13 177.091 . . 1 . . . . 4 L C . 15371 1 45 . 1 1 4 4 LEU CA C 13 53.614 . . 1 . . . . 4 L CA . 15371 1 46 . 1 1 4 4 LEU CB C 13 44.200 . . 1 . . . . 4 L CB . 15371 1 47 . 1 1 4 4 LEU CD1 C 13 24.620 . . 1 . . . . 4 L CD1 . 15371 1 48 . 1 1 4 4 LEU CG C 13 27.671 . . 1 . . . . 4 L CG . 15371 1 49 . 1 1 4 4 LEU N N 15 123.800 . . 1 . . . . 4 L N . 15371 1 50 . 1 1 5 5 VAL H H 1 8.810 . . 1 . . . . 5 V HN . 15371 1 51 . 1 1 5 5 VAL HA H 1 4.112 . . 1 . . . . 5 V HA . 15371 1 52 . 1 1 5 5 VAL HB H 1 2.355 . . 1 . . . . 5 V HB . 15371 1 53 . 1 1 5 5 VAL HG11 H 1 0.781 . . 2 . . . . 5 V HG11 . 15371 1 54 . 1 1 5 5 VAL HG12 H 1 0.781 . . 2 . . . . 5 V HG11 . 15371 1 55 . 1 1 5 5 VAL HG13 H 1 0.781 . . 2 . . . . 5 V HG11 . 15371 1 56 . 1 1 5 5 VAL HG21 H 1 0.719 . . 2 . . . . 5 V HG21 . 15371 1 57 . 1 1 5 5 VAL HG22 H 1 0.719 . . 2 . . . . 5 V HG21 . 15371 1 58 . 1 1 5 5 VAL HG23 H 1 0.719 . . 2 . . . . 5 V HG21 . 15371 1 59 . 1 1 5 5 VAL C C 13 176.410 . . 1 . . . . 5 V C . 15371 1 60 . 1 1 5 5 VAL CA C 13 63.064 . . 1 . . . . 5 V CA . 15371 1 61 . 1 1 5 5 VAL CB C 13 31.160 . . 1 . . . . 5 V CB . 15371 1 62 . 1 1 5 5 VAL CG1 C 13 21.053 . . 1 . . . . 5 V CG1 . 15371 1 63 . 1 1 5 5 VAL CG2 C 13 22.942 . . 1 . . . . 5 V CG2 . 15371 1 64 . 1 1 5 5 VAL N N 15 122.700 . . 1 . . . . 5 V N . 15371 1 65 . 1 1 6 6 LYS H H 1 9.187 . . 1 . . . . 6 K HN . 15371 1 66 . 1 1 6 6 LYS HA H 1 4.470 . . 1 . . . . 6 K HA . 15371 1 67 . 1 1 6 6 LYS HB2 H 1 1.610 . . 2 . . . . 6 K HB1 . 15371 1 68 . 1 1 6 6 LYS HB3 H 1 1.714 . . 2 . . . . 6 K HB2 . 15371 1 69 . 1 1 6 6 LYS HD2 H 1 1.580 . . 2 . . . . 6 K HD2 . 15371 1 70 . 1 1 6 6 LYS HE2 H 1 2.930 . . 2 . . . . 6 K HE2 . 15371 1 71 . 1 1 6 6 LYS HG2 H 1 1.380 . . 2 . . . . 6 K HG2 . 15371 1 72 . 1 1 6 6 LYS C C 13 176.210 . . 1 . . . . 6 K C . 15371 1 73 . 1 1 6 6 LYS CA C 13 55.640 . . 1 . . . . 6 K CA . 15371 1 74 . 1 1 6 6 LYS CB C 13 33.454 . . 1 . . . . 6 K CB . 15371 1 75 . 1 1 6 6 LYS CD C 13 27.800 . . 1 . . . . 6 K CD . 15371 1 76 . 1 1 6 6 LYS CE C 13 42.090 . . 1 . . . . 6 K CE . 15371 1 77 . 1 1 6 6 LYS CG C 13 24.600 . . 1 . . . . 6 K CG . 15371 1 78 . 1 1 6 6 LYS N N 15 130.100 . . 1 . . . . 6 K N . 15371 1 79 . 1 1 7 7 LYS H H 1 7.595 . . 1 . . . . 7 K HN . 15371 1 80 . 1 1 7 7 LYS HA H 1 4.494 . . 1 . . . . 7 K HA . 15371 1 81 . 1 1 7 7 LYS HB2 H 1 0.979 . . 2 . . . . 7 K HB1 . 15371 1 82 . 1 1 7 7 LYS HB3 H 1 1.664 . . 2 . . . . 7 K HB2 . 15371 1 83 . 1 1 7 7 LYS HD2 H 1 0.665 . . 2 . . . . 7 K HD1 . 15371 1 84 . 1 1 7 7 LYS HD3 H 1 1.124 . . 2 . . . . 7 K HD2 . 15371 1 85 . 1 1 7 7 LYS HE2 H 1 2.611 . . 2 . . . . 7 K HE2 . 15371 1 86 . 1 1 7 7 LYS HG2 H 1 0.970 . . 2 . . . . 7 K HG1 . 15371 1 87 . 1 1 7 7 LYS HG3 H 1 1.322 . . 2 . . . . 7 K HG2 . 15371 1 88 . 1 1 7 7 LYS C C 13 174.453 . . 1 . . . . 7 K C . 15371 1 89 . 1 1 7 7 LYS CA C 13 55.637 . . 1 . . . . 7 K CA . 15371 1 90 . 1 1 7 7 LYS CB C 13 38.378 . . 1 . . . . 7 K CB . 15371 1 91 . 1 1 7 7 LYS CD C 13 29.317 . . 1 . . . . 7 K CD . 15371 1 92 . 1 1 7 7 LYS CE C 13 41.937 . . 1 . . . . 7 K CE . 15371 1 93 . 1 1 7 7 LYS CG C 13 25.358 . . 1 . . . . 7 K CG . 15371 1 94 . 1 1 7 7 LYS N N 15 114.500 . . 1 . . . . 7 K N . 15371 1 95 . 1 1 8 8 SER H H 1 8.890 . . 1 . . . . 8 S HN . 15371 1 96 . 1 1 8 8 SER HA H 1 5.400 . . 1 . . . . 8 S HA . 15371 1 97 . 1 1 8 8 SER HB2 H 1 3.543 . . 2 . . . . 8 S HB1 . 15371 1 98 . 1 1 8 8 SER HB3 H 1 3.628 . . 2 . . . . 8 S HB2 . 15371 1 99 . 1 1 8 8 SER C C 13 172.921 . . 1 . . . . 8 S C . 15371 1 100 . 1 1 8 8 SER CA C 13 56.869 . . 1 . . . . 8 S CA . 15371 1 101 . 1 1 8 8 SER CB C 13 65.260 . . 1 . . . . 8 S CB . 15371 1 102 . 1 1 8 8 SER N N 15 115.760 . . 1 . . . . 8 S N . 15371 1 103 . 1 1 9 9 CYS H H 1 9.429 . . 1 . . . . 9 C HN . 15371 1 104 . 1 1 9 9 CYS HA H 1 4.852 . . 1 . . . . 9 C HA . 15371 1 105 . 1 1 9 9 CYS HB2 H 1 2.827 . . 2 . . . . 9 C HB2 . 15371 1 106 . 1 1 9 9 CYS C C 13 173.194 . . 1 . . . . 9 C C . 15371 1 107 . 1 1 9 9 CYS CA C 13 58.167 . . 1 . . . . 9 C CA . 15371 1 108 . 1 1 9 9 CYS CB C 13 29.714 . . 1 . . . . 9 C CB . 15371 1 109 . 1 1 9 9 CYS N N 15 127.400 . . 1 . . . . 9 C N . 15371 1 110 . 1 1 10 10 CYS H H 1 8.910 . . 1 . . . . 10 C HN . 15371 1 111 . 1 1 10 10 CYS HA H 1 4.798 . . 1 . . . . 10 C HA . 15371 1 112 . 1 1 10 10 CYS HB2 H 1 2.555 . . 2 . . . . 10 C HB1 . 15371 1 113 . 1 1 10 10 CYS HB3 H 1 2.700 . . 2 . . . . 10 C HB2 . 15371 1 114 . 1 1 10 10 CYS C C 13 173.569 . . 1 . . . . 10 C C . 15371 1 115 . 1 1 10 10 CYS CA C 13 57.675 . . 1 . . . . 10 C CA . 15371 1 116 . 1 1 10 10 CYS CB C 13 28.504 . . 1 . . . . 10 C CB . 15371 1 117 . 1 1 10 10 CYS N N 15 127.210 . . 1 . . . . 10 C N . 15371 1 118 . 1 1 11 11 ASN H H 1 8.886 . . 1 . . . . 11 N HN . 15371 1 119 . 1 1 11 11 ASN HA H 1 4.840 . . 1 . . . . 11 N HA . 15371 1 120 . 1 1 11 11 ASN HB2 H 1 2.726 . . 2 . . . . 11 N HB1 . 15371 1 121 . 1 1 11 11 ASN HB3 H 1 3.030 . . 2 . . . . 11 N HB2 . 15371 1 122 . 1 1 11 11 ASN HD21 H 1 7.026 . . 2 . . . . 11 N HD21 . 15371 1 123 . 1 1 11 11 ASN HD22 H 1 7.722 . . 2 . . . . 11 N HD22 . 15371 1 124 . 1 1 11 11 ASN C C 13 175.562 . . 1 . . . . 11 N C . 15371 1 125 . 1 1 11 11 ASN CA C 13 52.680 . . 1 . . . . 11 N CA . 15371 1 126 . 1 1 11 11 ASN CB C 13 39.246 . . 1 . . . . 11 N CB . 15371 1 127 . 1 1 11 11 ASN N N 15 125.600 . . 1 . . . . 11 N N . 15371 1 128 . 1 1 11 11 ASN ND2 N 15 113.140 . . 1 . . . . 11 N ND2 . 15371 1 129 . 1 1 12 12 LYS H H 1 8.648 . . 1 . . . . 12 K HN . 15371 1 130 . 1 1 12 12 LYS HA H 1 4.130 . . 1 . . . . 12 K HA . 15371 1 131 . 1 1 12 12 LYS HB2 H 1 1.815 . . 2 . . . . 12 K HB1 . 15371 1 132 . 1 1 12 12 LYS HB3 H 1 1.862 . . 2 . . . . 12 K HB2 . 15371 1 133 . 1 1 12 12 LYS HD2 H 1 1.667 . . 2 . . . . 12 K HD2 . 15371 1 134 . 1 1 12 12 LYS HE2 H 1 2.994 . . 2 . . . . 12 K HE2 . 15371 1 135 . 1 1 12 12 LYS HG2 H 1 1.509 . . 2 . . . . 12 K HG1 . 15371 1 136 . 1 1 12 12 LYS HG3 H 1 1.444 . . 2 . . . . 12 K HG2 . 15371 1 137 . 1 1 12 12 LYS C C 13 177.755 . . 1 . . . . 12 K C . 15371 1 138 . 1 1 12 12 LYS CA C 13 58.030 . . 1 . . . . 12 K CA . 15371 1 139 . 1 1 12 12 LYS CB C 13 32.454 . . 1 . . . . 12 K CB . 15371 1 140 . 1 1 12 12 LYS CD C 13 29.188 . . 1 . . . . 12 K CD . 15371 1 141 . 1 1 12 12 LYS CE C 13 42.128 . . 1 . . . . 12 K CE . 15371 1 142 . 1 1 12 12 LYS CG C 13 25.040 . . 1 . . . . 12 K CG . 15371 1 143 . 1 1 12 12 LYS N N 15 123.640 . . 1 . . . . 12 K N . 15371 1 144 . 1 1 13 13 GLN H H 1 8.487 . . 1 . . . . 13 Q HN . 15371 1 145 . 1 1 13 13 GLN HA H 1 4.180 . . 1 . . . . 13 Q HA . 15371 1 146 . 1 1 13 13 GLN HB2 H 1 2.074 . . 2 . . . . 13 Q HB1 . 15371 1 147 . 1 1 13 13 GLN HB3 H 1 2.074 . . 2 . . . . 13 Q HB2 . 15371 1 148 . 1 1 13 13 GLN HE21 H 1 7.589 . . 2 . . . . 13 Q HE21 . 15371 1 149 . 1 1 13 13 GLN HE22 H 1 6.854 . . 2 . . . . 13 Q HE22 . 15371 1 150 . 1 1 13 13 GLN HG2 H 1 2.361 . . 2 . . . . 13 Q HG1 . 15371 1 151 . 1 1 13 13 GLN HG3 H 1 2.361 . . 2 . . . . 13 Q HG2 . 15371 1 152 . 1 1 13 13 GLN C C 13 176.310 . . 1 . . . . 13 Q C . 15371 1 153 . 1 1 13 13 GLN CA C 13 57.960 . . 1 . . . . 13 Q CA . 15371 1 154 . 1 1 13 13 GLN CB C 13 28.960 . . 1 . . . . 13 Q CB . 15371 1 155 . 1 1 13 13 GLN CG C 13 34.145 . . 1 . . . . 13 Q CG . 15371 1 156 . 1 1 13 13 GLN N N 15 118.500 . . 1 . . . . 13 Q N . 15371 1 157 . 1 1 13 13 GLN NE2 N 15 112.220 . . 1 . . . . 13 Q NE2 . 15371 1 158 . 1 1 14 14 ASP H H 1 7.748 . . 1 . . . . 14 D HN . 15371 1 159 . 1 1 14 14 ASP HA H 1 4.650 . . 1 . . . . 14 D HA . 15371 1 160 . 1 1 14 14 ASP HB2 H 1 2.569 . . 2 . . . . 14 D HB1 . 15371 1 161 . 1 1 14 14 ASP HB3 H 1 2.629 . . 2 . . . . 14 D HB2 . 15371 1 162 . 1 1 14 14 ASP C C 13 175.463 . . 1 . . . . 14 D C . 15371 1 163 . 1 1 14 14 ASP CA C 13 53.550 . . 1 . . . . 14 D CA . 15371 1 164 . 1 1 14 14 ASP CB C 13 41.349 . . 1 . . . . 14 D CB . 15371 1 165 . 1 1 14 14 ASP N N 15 116.860 . . 1 . . . . 14 D N . 15371 1 166 . 1 1 15 15 ASN H H 1 8.040 . . 1 . . . . 15 N HN . 15371 1 167 . 1 1 15 15 ASN HA H 1 4.438 . . 1 . . . . 15 N HA . 15371 1 168 . 1 1 15 15 ASN HB2 H 1 2.833 . . 2 . . . . 15 N HB1 . 15371 1 169 . 1 1 15 15 ASN HB3 H 1 3.106 . . 2 . . . . 15 N HB2 . 15371 1 170 . 1 1 15 15 ASN HD21 H 1 7.512 . . 2 . . . . 15 N HD21 . 15371 1 171 . 1 1 15 15 ASN HD22 H 1 6.777 . . 2 . . . . 15 N HD22 . 15371 1 172 . 1 1 15 15 ASN C C 13 174.266 . . 1 . . . . 15 N C . 15371 1 173 . 1 1 15 15 ASN CA C 13 53.922 . . 1 . . . . 15 N CA . 15371 1 174 . 1 1 15 15 ASN CB C 13 37.459 . . 1 . . . . 15 N CB . 15371 1 175 . 1 1 15 15 ASN N N 15 116.300 . . 1 . . . . 15 N N . 15371 1 176 . 1 1 15 15 ASN ND2 N 15 111.880 . . 1 . . . . 15 N ND2 . 15371 1 177 . 1 1 16 16 ARG H H 1 7.846 . . 1 . . . . 16 R HN . 15371 1 178 . 1 1 16 16 ARG HA H 1 4.868 . . 1 . . . . 16 R HA . 15371 1 179 . 1 1 16 16 ARG HB2 H 1 1.682 . . 2 . . . . 16 R HB1 . 15371 1 180 . 1 1 16 16 ARG HB3 H 1 1.736 . . 2 . . . . 16 R HB2 . 15371 1 181 . 1 1 16 16 ARG HD2 H 1 3.150 . . 2 . . . . 16 R HD2 . 15371 1 182 . 1 1 16 16 ARG HG2 H 1 1.460 . . 2 . . . . 16 R HG1 . 15371 1 183 . 1 1 16 16 ARG HG3 H 1 1.578 . . 2 . . . . 16 R HG2 . 15371 1 184 . 1 1 16 16 ARG C C 13 175.269 . . 1 . . . . 16 R C . 15371 1 185 . 1 1 16 16 ARG CA C 13 55.626 . . 1 . . . . 16 R CA . 15371 1 186 . 1 1 16 16 ARG CB C 13 32.645 . . 1 . . . . 16 R CB . 15371 1 187 . 1 1 16 16 ARG CD C 13 43.400 . . 1 . . . . 16 R CD . 15371 1 188 . 1 1 16 16 ARG CG C 13 27.750 . . 1 . . . . 16 R CG . 15371 1 189 . 1 1 16 16 ARG N N 15 118.273 . . 1 . . . . 16 R N . 15371 1 190 . 1 1 17 17 HIS H H 1 9.155 . . 1 . . . . 17 H HN . 15371 1 191 . 1 1 17 17 HIS HA H 1 5.300 . . 1 . . . . 17 H HA . 15371 1 192 . 1 1 17 17 HIS HB2 H 1 2.849 . . 2 . . . . 17 H HB1 . 15371 1 193 . 1 1 17 17 HIS HB3 H 1 3.253 . . 2 . . . . 17 H HB2 . 15371 1 194 . 1 1 17 17 HIS HD2 H 1 6.883 . . 3 . . . . 17 H HD2 . 15371 1 195 . 1 1 17 17 HIS C C 13 173.451 . . 1 . . . . 17 H C . 15371 1 196 . 1 1 17 17 HIS CA C 13 54.385 . . 1 . . . . 17 H CA . 15371 1 197 . 1 1 17 17 HIS CB C 13 32.770 . . 1 . . . . 17 H CB . 15371 1 198 . 1 1 17 17 HIS N N 15 123.753 . . 1 . . . . 17 H N . 15371 1 199 . 1 1 18 18 VAL H H 1 9.018 . . 1 . . . . 18 V HN . 15371 1 200 . 1 1 18 18 VAL HA H 1 5.020 . . 1 . . . . 18 V HA . 15371 1 201 . 1 1 18 18 VAL HB H 1 1.800 . . 1 . . . . 18 V HB . 15371 1 202 . 1 1 18 18 VAL HG11 H 1 0.752 . . 2 . . . . 18 V HG11 . 15371 1 203 . 1 1 18 18 VAL HG12 H 1 0.752 . . 2 . . . . 18 V HG11 . 15371 1 204 . 1 1 18 18 VAL HG13 H 1 0.752 . . 2 . . . . 18 V HG11 . 15371 1 205 . 1 1 18 18 VAL HG21 H 1 0.690 . . 2 . . . . 18 V HG21 . 15371 1 206 . 1 1 18 18 VAL HG22 H 1 0.690 . . 2 . . . . 18 V HG21 . 15371 1 207 . 1 1 18 18 VAL HG23 H 1 0.690 . . 2 . . . . 18 V HG21 . 15371 1 208 . 1 1 18 18 VAL C C 13 174.316 . . 1 . . . . 18 V C . 15371 1 209 . 1 1 18 18 VAL CA C 13 61.061 . . 1 . . . . 18 V CA . 15371 1 210 . 1 1 18 18 VAL CB C 13 33.821 . . 1 . . . . 18 V CB . 15371 1 211 . 1 1 18 18 VAL CG1 C 13 21.000 . . 1 . . . . 18 V CG1 . 15371 1 212 . 1 1 18 18 VAL CG2 C 13 22.234 . . 1 . . . . 18 V CG2 . 15371 1 213 . 1 1 18 18 VAL N N 15 123.690 . . 1 . . . . 18 V N . 15371 1 214 . 1 1 19 19 LEU H H 1 9.459 . . 1 . . . . 19 L HN . 15371 1 215 . 1 1 19 19 LEU HA H 1 5.430 . . 1 . . . . 19 L HA . 15371 1 216 . 1 1 19 19 LEU HB2 H 1 1.380 . . 2 . . . . 19 L HB1 . 15371 1 217 . 1 1 19 19 LEU HB3 H 1 1.620 . . 2 . . . . 19 L HB2 . 15371 1 218 . 1 1 19 19 LEU HD11 H 1 0.713 . . 2 . . . . 19 L HD11 . 15371 1 219 . 1 1 19 19 LEU HD12 H 1 0.713 . . 2 . . . . 19 L HD11 . 15371 1 220 . 1 1 19 19 LEU HD13 H 1 0.713 . . 2 . . . . 19 L HD11 . 15371 1 221 . 1 1 19 19 LEU HD21 H 1 0.870 . . 2 . . . . 19 L HD21 . 15371 1 222 . 1 1 19 19 LEU HD22 H 1 0.870 . . 2 . . . . 19 L HD21 . 15371 1 223 . 1 1 19 19 LEU HD23 H 1 0.870 . . 2 . . . . 19 L HD21 . 15371 1 224 . 1 1 19 19 LEU HG H 1 1.618 . . 1 . . . . 19 L HG . 15371 1 225 . 1 1 19 19 LEU C C 13 175.956 . . 1 . . . . 19 L C . 15371 1 226 . 1 1 19 19 LEU CA C 13 52.688 . . 1 . . . . 19 L CA . 15371 1 227 . 1 1 19 19 LEU CB C 13 45.550 . . 1 . . . . 19 L CB . 15371 1 228 . 1 1 19 19 LEU CD1 C 13 28.000 . . 1 . . . . 19 L CD1 . 15371 1 229 . 1 1 19 19 LEU CD2 C 13 23.240 . . 1 . . . . 19 L CD2 . 15371 1 230 . 1 1 19 19 LEU CG C 13 26.800 . . 1 . . . . 19 L CG . 15371 1 231 . 1 1 19 19 LEU N N 15 122.863 . . 1 . . . . 19 L N . 15371 1 232 . 1 1 20 20 MET H H 1 8.384 . . 1 . . . . 20 M HN . 15371 1 233 . 1 1 20 20 MET HA H 1 5.048 . . 1 . . . . 20 M HA . 15371 1 234 . 1 1 20 20 MET HB2 H 1 0.878 . . 2 . . . . 20 M HB1 . 15371 1 235 . 1 1 20 20 MET HB3 H 1 1.278 . . 2 . . . . 20 M HB2 . 15371 1 236 . 1 1 20 20 MET HE1 H 1 0.987 . . 1 . . . . 20 M HE1 . 15371 1 237 . 1 1 20 20 MET HE2 H 1 0.987 . . 1 . . . . 20 M HE1 . 15371 1 238 . 1 1 20 20 MET HE3 H 1 0.987 . . 1 . . . . 20 M HE1 . 15371 1 239 . 1 1 20 20 MET HG2 H 1 1.760 . . 2 . . . . 20 M HG2 . 15371 1 240 . 1 1 20 20 MET C C 13 174.314 . . 1 . . . . 20 M C . 15371 1 241 . 1 1 20 20 MET CA C 13 55.168 . . 1 . . . . 20 M CA . 15371 1 242 . 1 1 20 20 MET CB C 13 33.700 . . 1 . . . . 20 M CB . 15371 1 243 . 1 1 20 20 MET CE C 13 17.640 . . 1 . . . . 20 M CE . 15371 1 244 . 1 1 20 20 MET CG C 13 33.120 . . 1 . . . . 20 M CG . 15371 1 245 . 1 1 20 20 MET N N 15 122.870 . . 1 . . . . 20 M N . 15371 1 246 . 1 1 21 21 LEU H H 1 9.110 . . 1 . . . . 21 L HN . 15371 1 247 . 1 1 21 21 LEU HA H 1 5.390 . . 1 . . . . 21 L HA . 15371 1 248 . 1 1 21 21 LEU HB2 H 1 1.095 . . 2 . . . . 21 L HB1 . 15371 1 249 . 1 1 21 21 LEU HB3 H 1 1.260 . . 2 . . . . 21 L HB2 . 15371 1 250 . 1 1 21 21 LEU HD11 H 1 -0.084 . . 2 . . . . 21 L HD11 . 15371 1 251 . 1 1 21 21 LEU HD12 H 1 -0.084 . . 2 . . . . 21 L HD11 . 15371 1 252 . 1 1 21 21 LEU HD13 H 1 -0.084 . . 2 . . . . 21 L HD11 . 15371 1 253 . 1 1 21 21 LEU HD21 H 1 1.263 . . 2 . . . . 21 L HD21 . 15371 1 254 . 1 1 21 21 LEU HD22 H 1 1.263 . . 2 . . . . 21 L HD21 . 15371 1 255 . 1 1 21 21 LEU HD23 H 1 1.263 . . 2 . . . . 21 L HD21 . 15371 1 256 . 1 1 21 21 LEU HG H 1 0.615 . . 1 . . . . 21 L HG . 15371 1 257 . 1 1 21 21 LEU C C 13 175.698 . . 1 . . . . 21 L C . 15371 1 258 . 1 1 21 21 LEU CA C 13 52.360 . . 1 . . . . 21 L CA . 15371 1 259 . 1 1 21 21 LEU CB C 13 45.260 . . 1 . . . . 21 L CB . 15371 1 260 . 1 1 21 21 LEU CD1 C 13 24.550 . . 1 . . . . 21 L CD1 . 15371 1 261 . 1 1 21 21 LEU CD2 C 13 26.140 . . 1 . . . . 21 L CD2 . 15371 1 262 . 1 1 21 21 LEU CG C 13 25.360 . . 1 . . . . 21 L CG . 15371 1 263 . 1 1 21 21 LEU N N 15 127.844 . . 1 . . . . 21 L N . 15371 1 264 . 1 1 22 22 CYS H H 1 9.135 . . 1 . . . . 22 C HN . 15371 1 265 . 1 1 22 22 CYS HA H 1 6.030 . . 1 . . . . 22 C HA . 15371 1 266 . 1 1 22 22 CYS HB2 H 1 2.717 . . 2 . . . . 22 C HB1 . 15371 1 267 . 1 1 22 22 CYS HB3 H 1 2.860 . . 2 . . . . 22 C HB2 . 15371 1 268 . 1 1 22 22 CYS C C 13 173.800 . . 1 . . . . 22 C C . 15371 1 269 . 1 1 22 22 CYS CA C 13 56.011 . . 1 . . . . 22 C CA . 15371 1 270 . 1 1 22 22 CYS CB C 13 31.950 . . 1 . . . . 22 C CB . 15371 1 271 . 1 1 22 22 CYS N N 15 118.300 . . 1 . . . . 22 C N . 15371 1 272 . 1 1 23 23 ASP H H 1 9.080 . . 1 . . . . 23 D HN . 15371 1 273 . 1 1 23 23 ASP HA H 1 4.515 . . 1 . . . . 23 D HA . 15371 1 274 . 1 1 23 23 ASP HB2 H 1 2.370 . . 2 . . . . 23 D HB1 . 15371 1 275 . 1 1 23 23 ASP HB3 H 1 2.700 . . 2 . . . . 23 D HB2 . 15371 1 276 . 1 1 23 23 ASP C C 13 177.142 . . 1 . . . . 23 D C . 15371 1 277 . 1 1 23 23 ASP CA C 13 53.848 . . 1 . . . . 23 D CA . 15371 1 278 . 1 1 23 23 ASP CB C 13 41.600 . . 1 . . . . 23 D CB . 15371 1 279 . 1 1 23 23 ASP N N 15 125.500 . . 1 . . . . 23 D N . 15371 1 280 . 1 1 24 24 ALA H H 1 8.609 . . 1 . . . . 24 A HN . 15371 1 281 . 1 1 24 24 ALA HA H 1 3.947 . . 1 . . . . 24 A HA . 15371 1 282 . 1 1 24 24 ALA HB1 H 1 1.347 . . 1 . . . . 24 A HB1 . 15371 1 283 . 1 1 24 24 ALA HB2 H 1 1.347 . . 1 . . . . 24 A HB1 . 15371 1 284 . 1 1 24 24 ALA HB3 H 1 1.347 . . 1 . . . . 24 A HB1 . 15371 1 285 . 1 1 24 24 ALA C C 13 179.105 . . 1 . . . . 24 A C . 15371 1 286 . 1 1 24 24 ALA CA C 13 55.147 . . 1 . . . . 24 A CA . 15371 1 287 . 1 1 24 24 ALA CB C 13 18.235 . . 1 . . . . 24 A CB . 15371 1 288 . 1 1 24 24 ALA N N 15 124.848 . . 1 . . . . 24 A N . 15371 1 289 . 1 1 25 25 GLY H H 1 8.212 . . 1 . . . . 25 G HN . 15371 1 290 . 1 1 25 25 GLY HA2 H 1 3.745 . . 2 . . . . 25 G HA1 . 15371 1 291 . 1 1 25 25 GLY HA3 H 1 4.122 . . 2 . . . . 25 G HA2 . 15371 1 292 . 1 1 25 25 GLY C C 13 175.308 . . 1 . . . . 25 G C . 15371 1 293 . 1 1 25 25 GLY CA C 13 45.356 . . 1 . . . . 25 G CA . 15371 1 294 . 1 1 25 25 GLY N N 15 104.372 . . 1 . . . . 25 G N . 15371 1 295 . 1 1 26 26 GLY H H 1 7.756 . . 1 . . . . 26 G HN . 15371 1 296 . 1 1 26 26 GLY HA2 H 1 3.693 . . 2 . . . . 26 G HA1 . 15371 1 297 . 1 1 26 26 GLY HA3 H 1 4.064 . . 2 . . . . 26 G HA2 . 15371 1 298 . 1 1 26 26 GLY C C 13 173.328 . . 1 . . . . 26 G C . 15371 1 299 . 1 1 26 26 GLY CA C 13 46.063 . . 1 . . . . 26 G CA . 15371 1 300 . 1 1 26 26 GLY N N 15 109.293 . . 1 . . . . 26 G N . 15371 1 301 . 1 1 27 27 ALA H H 1 8.760 . . 1 . . . . 27 A HN . 15371 1 302 . 1 1 27 27 ALA HA H 1 4.431 . . 1 . . . . 27 A HA . 15371 1 303 . 1 1 27 27 ALA HB1 H 1 1.457 . . 1 . . . . 27 A HB1 . 15371 1 304 . 1 1 27 27 ALA HB2 H 1 1.457 . . 1 . . . . 27 A HB1 . 15371 1 305 . 1 1 27 27 ALA HB3 H 1 1.457 . . 1 . . . . 27 A HB1 . 15371 1 306 . 1 1 27 27 ALA C C 13 177.930 . . 1 . . . . 27 A C . 15371 1 307 . 1 1 27 27 ALA CA C 13 53.723 . . 1 . . . . 27 A CA . 15371 1 308 . 1 1 27 27 ALA CB C 13 20.760 . . 1 . . . . 27 A CB . 15371 1 309 . 1 1 27 27 ALA N N 15 124.239 . . 1 . . . . 27 A N . 15371 1 310 . 1 1 28 28 ILE H H 1 8.896 . . 1 . . . . 28 I HN . 15371 1 311 . 1 1 28 28 ILE HA H 1 4.250 . . 1 . . . . 28 I HA . 15371 1 312 . 1 1 28 28 ILE HB H 1 1.930 . . 1 . . . . 28 I HB . 15371 1 313 . 1 1 28 28 ILE HD11 H 1 0.870 . . 1 . . . . 28 I HD11 . 15371 1 314 . 1 1 28 28 ILE HD12 H 1 0.870 . . 1 . . . . 28 I HD11 . 15371 1 315 . 1 1 28 28 ILE HD13 H 1 0.870 . . 1 . . . . 28 I HD11 . 15371 1 316 . 1 1 28 28 ILE HG12 H 1 1.171 . . 1 . . . . 28 I HG11 . 15371 1 317 . 1 1 28 28 ILE HG13 H 1 1.554 . . 1 . . . . 28 I HG12 . 15371 1 318 . 1 1 28 28 ILE HG21 H 1 1.126 . . 2 . . . . 28 I HG21 . 15371 1 319 . 1 1 28 28 ILE HG22 H 1 1.126 . . 2 . . . . 28 I HG21 . 15371 1 320 . 1 1 28 28 ILE HG23 H 1 1.126 . . 2 . . . . 28 I HG21 . 15371 1 321 . 1 1 28 28 ILE C C 13 174.455 . . 1 . . . . 28 I C . 15371 1 322 . 1 1 28 28 ILE CA C 13 61.350 . . 1 . . . . 28 I CA . 15371 1 323 . 1 1 28 28 ILE CB C 13 38.907 . . 1 . . . . 28 I CB . 15371 1 324 . 1 1 28 28 ILE CD1 C 13 12.900 . . 1 . . . . 28 I CD1 . 15371 1 325 . 1 1 28 28 ILE CG1 C 13 27.223 . . 2 . . . . 28 I CG1 . 15371 1 326 . 1 1 28 28 ILE CG2 C 13 18.179 . . 1 . . . . 28 I CG2 . 15371 1 327 . 1 1 28 28 ILE N N 15 122.213 . . 1 . . . . 28 I N . 15371 1 328 . 1 1 29 29 LYS H H 1 8.340 . . 1 . . . . 29 K HN . 15371 1 329 . 1 1 29 29 LYS HA H 1 5.540 . . 1 . . . . 29 K HA . 15371 1 330 . 1 1 29 29 LYS HB2 H 1 1.356 . . 2 . . . . 29 K HB1 . 15371 1 331 . 1 1 29 29 LYS HB3 H 1 1.754 . . 2 . . . . 29 K HB2 . 15371 1 332 . 1 1 29 29 LYS HD2 H 1 1.370 . . 2 . . . . 29 K HD1 . 15371 1 333 . 1 1 29 29 LYS HD3 H 1 1.275 . . 2 . . . . 29 K HD2 . 15371 1 334 . 1 1 29 29 LYS HE2 H 1 2.800 . . 2 . . . . 29 K HE2 . 15371 1 335 . 1 1 29 29 LYS HG2 H 1 1.381 . . 2 . . . . 29 K HG1 . 15371 1 336 . 1 1 29 29 LYS HG3 H 1 1.222 . . 2 . . . . 29 K HG2 . 15371 1 337 . 1 1 29 29 LYS C C 13 176.193 . . 1 . . . . 29 K C . 15371 1 338 . 1 1 29 29 LYS CA C 13 54.586 . . 1 . . . . 29 K CA . 15371 1 339 . 1 1 29 29 LYS CB C 13 36.100 . . 1 . . . . 29 K CB . 15371 1 340 . 1 1 29 29 LYS CD C 13 29.600 . . 1 . . . . 29 K CD . 15371 1 341 . 1 1 29 29 LYS CE C 13 41.900 . . 1 . . . . 29 K CE . 15371 1 342 . 1 1 29 29 LYS CG C 13 25.300 . . 1 . . . . 29 K CG . 15371 1 343 . 1 1 29 29 LYS N N 15 124.440 . . 1 . . . . 29 K N . 15371 1 344 . 1 1 30 30 MET H H 1 9.221 . . 1 . . . . 30 M HN . 15371 1 345 . 1 1 30 30 MET HA H 1 5.170 . . 1 . . . . 30 M HA . 15371 1 346 . 1 1 30 30 MET HB2 H 1 1.396 . . 2 . . . . 30 M HB1 . 15371 1 347 . 1 1 30 30 MET HB3 H 1 1.657 . . 2 . . . . 30 M HB2 . 15371 1 348 . 1 1 30 30 MET HE1 H 1 1.515 . . 1 . . . . 30 M HE1 . 15371 1 349 . 1 1 30 30 MET HE2 H 1 1.515 . . 1 . . . . 30 M HE1 . 15371 1 350 . 1 1 30 30 MET HE3 H 1 1.515 . . 1 . . . . 30 M HE1 . 15371 1 351 . 1 1 30 30 MET HG2 H 1 2.020 . . 2 . . . . 30 M HG1 . 15371 1 352 . 1 1 30 30 MET HG3 H 1 2.100 . . 2 . . . . 30 M HG2 . 15371 1 353 . 1 1 30 30 MET C C 13 174.439 . . 1 . . . . 30 M C . 15371 1 354 . 1 1 30 30 MET CA C 13 53.750 . . 1 . . . . 30 M CA . 15371 1 355 . 1 1 30 30 MET CB C 13 37.000 . . 1 . . . . 30 M CB . 15371 1 356 . 1 1 30 30 MET CE C 13 16.577 . . 1 . . . . 30 M CE . 15371 1 357 . 1 1 30 30 MET CG C 13 31.920 . . 1 . . . . 30 M CG . 15371 1 358 . 1 1 30 30 MET N N 15 121.382 . . 1 . . . . 30 M N . 15371 1 359 . 1 1 31 31 ILE H H 1 9.208 . . 1 . . . . 31 I HN . 15371 1 360 . 1 1 31 31 ILE HA H 1 5.063 . . 1 . . . . 31 I HA . 15371 1 361 . 1 1 31 31 ILE HB H 1 1.705 . . 1 . . . . 31 I HB . 15371 1 362 . 1 1 31 31 ILE HD11 H 1 1.180 . . 1 . . . . 31 I HD11 . 15371 1 363 . 1 1 31 31 ILE HD12 H 1 1.180 . . 1 . . . . 31 I HD11 . 15371 1 364 . 1 1 31 31 ILE HD13 H 1 1.180 . . 1 . . . . 31 I HD11 . 15371 1 365 . 1 1 31 31 ILE HG12 H 1 1.340 . . 1 . . . . 31 I HG11 . 15371 1 366 . 1 1 31 31 ILE HG13 H 1 1.930 . . 1 . . . . 31 I HG12 . 15371 1 367 . 1 1 31 31 ILE HG21 H 1 0.931 . . 2 . . . . 31 I HG21 . 15371 1 368 . 1 1 31 31 ILE HG22 H 1 0.931 . . 2 . . . . 31 I HG21 . 15371 1 369 . 1 1 31 31 ILE HG23 H 1 0.931 . . 2 . . . . 31 I HG21 . 15371 1 370 . 1 1 31 31 ILE C C 13 174.439 . . 1 . . . . 31 I C . 15371 1 371 . 1 1 31 31 ILE CA C 13 60.620 . . 1 . . . . 31 I CA . 15371 1 372 . 1 1 31 31 ILE CB C 13 39.800 . . 1 . . . . 31 I CB . 15371 1 373 . 1 1 31 31 ILE CD1 C 13 14.800 . . 1 . . . . 31 I CD1 . 15371 1 374 . 1 1 31 31 ILE CG1 C 13 29.309 . . 2 . . . . 31 I CG1 . 15371 1 375 . 1 1 31 31 ILE CG2 C 13 17.367 . . 1 . . . . 31 I CG2 . 15371 1 376 . 1 1 31 31 ILE N N 15 122.000 . . 1 . . . . 31 I N . 15371 1 377 . 1 1 32 32 ALA H H 1 9.343 . . 1 . . . . 32 A HN . 15371 1 378 . 1 1 32 32 ALA HA H 1 5.385 . . 1 . . . . 32 A HA . 15371 1 379 . 1 1 32 32 ALA HB1 H 1 0.990 . . 1 . . . . 32 A HB1 . 15371 1 380 . 1 1 32 32 ALA HB2 H 1 0.990 . . 1 . . . . 32 A HB1 . 15371 1 381 . 1 1 32 32 ALA HB3 H 1 0.990 . . 1 . . . . 32 A HB1 . 15371 1 382 . 1 1 32 32 ALA C C 13 175.195 . . 1 . . . . 32 A C . 15371 1 383 . 1 1 32 32 ALA CA C 13 50.082 . . 1 . . . . 32 A CA . 15371 1 384 . 1 1 32 32 ALA CB C 13 22.641 . . 1 . . . . 32 A CB . 15371 1 385 . 1 1 32 32 ALA N N 15 129.533 . . 1 . . . . 32 A N . 15371 1 386 . 1 1 33 33 GLU H H 1 8.420 . . 1 . . . . 33 E HN . 15371 1 387 . 1 1 33 33 GLU HA H 1 5.162 . . 1 . . . . 33 E HA . 15371 1 388 . 1 1 33 33 GLU HB2 H 1 1.890 . . 2 . . . . 33 E HB1 . 15371 1 389 . 1 1 33 33 GLU HB3 H 1 2.082 . . 2 . . . . 33 E HB2 . 15371 1 390 . 1 1 33 33 GLU HG2 H 1 2.106 . . 2 . . . . 33 E HG1 . 15371 1 391 . 1 1 33 33 GLU HG3 H 1 2.291 . . 2 . . . . 33 E HG2 . 15371 1 392 . 1 1 33 33 GLU C C 13 176.450 . . 1 . . . . 33 E C . 15371 1 393 . 1 1 33 33 GLU CA C 13 55.294 . . 1 . . . . 33 E CA . 15371 1 394 . 1 1 33 33 GLU CB C 13 30.855 . . 1 . . . . 33 E CB . 15371 1 395 . 1 1 33 33 GLU CG C 13 36.694 . . 1 . . . . 33 E CG . 15371 1 396 . 1 1 33 33 GLU N N 15 124.260 . . 1 . . . . 33 E N . 15371 1 397 . 1 1 34 34 VAL H H 1 9.044 . . 1 . . . . 34 V HN . 15371 1 398 . 1 1 34 34 VAL HA H 1 5.677 . . 1 . . . . 34 V HA . 15371 1 399 . 1 1 34 34 VAL HB H 1 2.006 . . 1 . . . . 34 V HB . 15371 1 400 . 1 1 34 34 VAL HG11 H 1 0.534 . . 2 . . . . 34 V HG11 . 15371 1 401 . 1 1 34 34 VAL HG12 H 1 0.534 . . 2 . . . . 34 V HG11 . 15371 1 402 . 1 1 34 34 VAL HG13 H 1 0.534 . . 2 . . . . 34 V HG11 . 15371 1 403 . 1 1 34 34 VAL HG21 H 1 0.633 . . 2 . . . . 34 V HG21 . 15371 1 404 . 1 1 34 34 VAL HG22 H 1 0.633 . . 2 . . . . 34 V HG21 . 15371 1 405 . 1 1 34 34 VAL HG23 H 1 0.633 . . 2 . . . . 34 V HG21 . 15371 1 406 . 1 1 34 34 VAL C C 13 174.326 . . 1 . . . . 34 V C . 15371 1 407 . 1 1 34 34 VAL CA C 13 58.389 . . 1 . . . . 34 V CA . 15371 1 408 . 1 1 34 34 VAL CB C 13 35.571 . . 1 . . . . 34 V CB . 15371 1 409 . 1 1 34 34 VAL CG1 C 13 17.847 . . 1 . . . . 34 V CG1 . 15371 1 410 . 1 1 34 34 VAL CG2 C 13 21.067 . . 1 . . . . 34 V CG2 . 15371 1 411 . 1 1 34 34 VAL N N 15 117.650 . . 1 . . . . 34 V N . 15371 1 412 . 1 1 35 35 LYS H H 1 8.900 . . 1 . . . . 35 K HN . 15371 1 413 . 1 1 35 35 LYS HA H 1 5.052 . . 1 . . . . 35 K HA . 15371 1 414 . 1 1 35 35 LYS HB2 H 1 1.720 . . 2 . . . . 35 K HB1 . 15371 1 415 . 1 1 35 35 LYS HB3 H 1 1.826 . . 2 . . . . 35 K HB2 . 15371 1 416 . 1 1 35 35 LYS HD2 H 1 1.736 . . 2 . . . . 35 K HD2 . 15371 1 417 . 1 1 35 35 LYS HE2 H 1 2.995 . . 2 . . . . 35 K HE2 . 15371 1 418 . 1 1 35 35 LYS HG2 H 1 1.505 . . 2 . . . . 35 K HG1 . 15371 1 419 . 1 1 35 35 LYS HG3 H 1 1.458 . . 2 . . . . 35 K HG2 . 15371 1 420 . 1 1 35 35 LYS C C 13 175.839 . . 1 . . . . 35 K C . 15371 1 421 . 1 1 35 35 LYS CA C 13 55.000 . . 1 . . . . 35 K CA . 15371 1 422 . 1 1 35 35 LYS CB C 13 36.296 . . 1 . . . . 35 K CB . 15371 1 423 . 1 1 35 35 LYS CD C 13 29.381 . . 1 . . . . 35 K CD . 15371 1 424 . 1 1 35 35 LYS CE C 13 42.076 . . 1 . . . . 35 K CE . 15371 1 425 . 1 1 35 35 LYS CG C 13 25.069 . . 1 . . . . 35 K CG . 15371 1 426 . 1 1 35 35 LYS N N 15 120.220 . . 1 . . . . 35 K N . 15371 1 427 . 1 1 36 36 SER H H 1 8.820 . . 1 . . . . 36 S HN . 15371 1 428 . 1 1 36 36 SER HA H 1 4.818 . . 1 . . . . 36 S HA . 15371 1 429 . 1 1 36 36 SER HB2 H 1 3.650 . . 2 . . . . 36 S HB1 . 15371 1 430 . 1 1 36 36 SER HB3 H 1 3.913 . . 2 . . . . 36 S HB2 . 15371 1 431 . 1 1 36 36 SER C C 13 173.924 . . 1 . . . . 36 S C . 15371 1 432 . 1 1 36 36 SER CA C 13 57.932 . . 1 . . . . 36 S CA . 15371 1 433 . 1 1 36 36 SER CB C 13 65.234 . . 1 . . . . 36 S CB . 15371 1 434 . 1 1 36 36 SER N N 15 119.040 . . 1 . . . . 36 S N . 15371 1 435 . 1 1 37 37 ASP H H 1 9.230 . . 1 . . . . 37 D HN . 15371 1 436 . 1 1 37 37 ASP HA H 1 4.637 . . 1 . . . . 37 D HA . 15371 1 437 . 1 1 37 37 ASP HB2 H 1 2.107 . . 2 . . . . 37 D HB1 . 15371 1 438 . 1 1 37 37 ASP HB3 H 1 2.429 . . 2 . . . . 37 D HB2 . 15371 1 439 . 1 1 37 37 ASP C C 13 174.765 . . 1 . . . . 37 D C . 15371 1 440 . 1 1 37 37 ASP CA C 13 54.918 . . 1 . . . . 37 D CA . 15371 1 441 . 1 1 37 37 ASP CB C 13 40.500 . . 1 . . . . 37 D CB . 15371 1 442 . 1 1 37 37 ASP N N 15 126.460 . . 1 . . . . 37 D N . 15371 1 443 . 1 1 38 38 PHE H H 1 8.435 . . 1 . . . . 38 F HN . 15371 1 444 . 1 1 38 38 PHE HA H 1 4.411 . . 1 . . . . 38 F HA . 15371 1 445 . 1 1 38 38 PHE HB2 H 1 2.485 . . 2 . . . . 38 F HB1 . 15371 1 446 . 1 1 38 38 PHE HB3 H 1 2.975 . . 2 . . . . 38 F HB2 . 15371 1 447 . 1 1 38 38 PHE HD1 H 1 7.174 . . 3 . . . . 38 F HD1 . 15371 1 448 . 1 1 38 38 PHE HE1 H 1 7.362 . . 3 . . . . 38 F HE1 . 15371 1 449 . 1 1 38 38 PHE C C 13 173.949 . . 1 . . . . 38 F C . 15371 1 450 . 1 1 38 38 PHE CA C 13 56.790 . . 1 . . . . 38 F CA . 15371 1 451 . 1 1 38 38 PHE CB C 13 41.351 . . 1 . . . . 38 F CB . 15371 1 452 . 1 1 38 38 PHE N N 15 120.050 . . 1 . . . . 38 F N . 15371 1 453 . 1 1 39 39 ALA H H 1 8.162 . . 1 . . . . 39 A HN . 15371 1 454 . 1 1 39 39 ALA HA H 1 4.200 . . 1 . . . . 39 A HA . 15371 1 455 . 1 1 39 39 ALA HB1 H 1 1.275 . . 1 . . . . 39 A HB1 . 15371 1 456 . 1 1 39 39 ALA HB2 H 1 1.275 . . 1 . . . . 39 A HB1 . 15371 1 457 . 1 1 39 39 ALA HB3 H 1 1.275 . . 1 . . . . 39 A HB1 . 15371 1 458 . 1 1 39 39 ALA C C 13 176.717 . . 1 . . . . 39 A C . 15371 1 459 . 1 1 39 39 ALA CA C 13 52.560 . . 1 . . . . 39 A CA . 15371 1 460 . 1 1 39 39 ALA CB C 13 18.700 . . 1 . . . . 39 A CB . 15371 1 461 . 1 1 39 39 ALA N N 15 123.726 . . 1 . . . . 39 A N . 15371 1 462 . 1 1 40 40 VAL H H 1 7.825 . . 1 . . . . 40 V HN . 15371 1 463 . 1 1 40 40 VAL HA H 1 4.248 . . 1 . . . . 40 V HA . 15371 1 464 . 1 1 40 40 VAL HB H 1 1.692 . . 1 . . . . 40 V HB . 15371 1 465 . 1 1 40 40 VAL HG11 H 1 0.755 . . 2 . . . . 40 V HG11 . 15371 1 466 . 1 1 40 40 VAL HG12 H 1 0.755 . . 2 . . . . 40 V HG11 . 15371 1 467 . 1 1 40 40 VAL HG13 H 1 0.755 . . 2 . . . . 40 V HG11 . 15371 1 468 . 1 1 40 40 VAL HG21 H 1 0.850 . . 2 . . . . 40 V HG21 . 15371 1 469 . 1 1 40 40 VAL HG22 H 1 0.850 . . 2 . . . . 40 V HG21 . 15371 1 470 . 1 1 40 40 VAL HG23 H 1 0.850 . . 2 . . . . 40 V HG21 . 15371 1 471 . 1 1 40 40 VAL C C 13 174.464 . . 1 . . . . 40 V C . 15371 1 472 . 1 1 40 40 VAL CA C 13 61.431 . . 1 . . . . 40 V CA . 15371 1 473 . 1 1 40 40 VAL CB C 13 33.353 . . 1 . . . . 40 V CB . 15371 1 474 . 1 1 40 40 VAL CG1 C 13 21.318 . . 1 . . . . 40 V CG1 . 15371 1 475 . 1 1 40 40 VAL CG2 C 13 22.917 . . 1 . . . . 40 V CG2 . 15371 1 476 . 1 1 40 40 VAL N N 15 122.296 . . 1 . . . . 40 V N . 15371 1 477 . 1 1 41 41 LYS H H 1 9.380 . . 1 . . . . 41 K HN . 15371 1 478 . 1 1 41 41 LYS HA H 1 4.694 . . 1 . . . . 41 K HA . 15371 1 479 . 1 1 41 41 LYS HB2 H 1 1.700 . . 2 . . . . 41 K HB1 . 15371 1 480 . 1 1 41 41 LYS HB3 H 1 1.760 . . 2 . . . . 41 K HB2 . 15371 1 481 . 1 1 41 41 LYS HD2 H 1 1.660 . . 2 . . . . 41 K HD2 . 15371 1 482 . 1 1 41 41 LYS HE2 H 1 3.006 . . 2 . . . . 41 K HE2 . 15371 1 483 . 1 1 41 41 LYS HG2 H 1 1.240 . . 2 . . . . 41 K HG1 . 15371 1 484 . 1 1 41 41 LYS HG3 H 1 1.460 . . 2 . . . . 41 K HG2 . 15371 1 485 . 1 1 41 41 LYS C C 13 175.606 . . 1 . . . . 41 K C . 15371 1 486 . 1 1 41 41 LYS CA C 13 53.977 . . 1 . . . . 41 K CA . 15371 1 487 . 1 1 41 41 LYS CB C 13 35.671 . . 1 . . . . 41 K CB . 15371 1 488 . 1 1 41 41 LYS CD C 13 29.050 . . 1 . . . . 41 K CD . 15371 1 489 . 1 1 41 41 LYS CE C 13 42.123 . . 1 . . . . 41 K CE . 15371 1 490 . 1 1 41 41 LYS CG C 13 23.745 . . 1 . . . . 41 K CG . 15371 1 491 . 1 1 41 41 LYS N N 15 128.640 . . 1 . . . . 41 K N . 15371 1 492 . 1 1 42 42 VAL H H 1 8.240 . . 1 . . . . 42 V HN . 15371 1 493 . 1 1 42 42 VAL HA H 1 3.310 . . 1 . . . . 42 V HA . 15371 1 494 . 1 1 42 42 VAL HB H 1 1.881 . . 1 . . . . 42 V HB . 15371 1 495 . 1 1 42 42 VAL HG11 H 1 0.917 . . 2 . . . . 42 V HG11 . 15371 1 496 . 1 1 42 42 VAL HG12 H 1 0.917 . . 2 . . . . 42 V HG11 . 15371 1 497 . 1 1 42 42 VAL HG13 H 1 0.917 . . 2 . . . . 42 V HG11 . 15371 1 498 . 1 1 42 42 VAL HG21 H 1 0.934 . . 2 . . . . 42 V HG21 . 15371 1 499 . 1 1 42 42 VAL HG22 H 1 0.934 . . 2 . . . . 42 V HG21 . 15371 1 500 . 1 1 42 42 VAL HG23 H 1 0.934 . . 2 . . . . 42 V HG21 . 15371 1 501 . 1 1 42 42 VAL C C 13 177.457 . . 1 . . . . 42 V C . 15371 1 502 . 1 1 42 42 VAL CA C 13 65.470 . . 1 . . . . 42 V CA . 15371 1 503 . 1 1 42 42 VAL CB C 13 31.400 . . 1 . . . . 42 V CB . 15371 1 504 . 1 1 42 42 VAL CG1 C 13 21.190 . . 1 . . . . 42 V CG1 . 15371 1 505 . 1 1 42 42 VAL CG2 C 13 22.914 . . 1 . . . . 42 V CG2 . 15371 1 506 . 1 1 42 42 VAL N N 15 119.825 . . 1 . . . . 42 V N . 15371 1 507 . 1 1 43 43 GLY H H 1 9.225 . . 1 . . . . 43 G HN . 15371 1 508 . 1 1 43 43 GLY HA2 H 1 3.584 . . 2 . . . . 43 G HA1 . 15371 1 509 . 1 1 43 43 GLY HA3 H 1 4.488 . . 2 . . . . 43 G HA2 . 15371 1 510 . 1 1 43 43 GLY C C 13 174.222 . . 1 . . . . 43 G C . 15371 1 511 . 1 1 43 43 GLY CA C 13 44.419 . . 1 . . . . 43 G CA . 15371 1 512 . 1 1 43 43 GLY N N 15 116.920 . . 1 . . . . 43 G N . 15371 1 513 . 1 1 44 44 ASP H H 1 8.065 . . 1 . . . . 44 D HN . 15371 1 514 . 1 1 44 44 ASP HA H 1 4.862 . . 1 . . . . 44 D HA . 15371 1 515 . 1 1 44 44 ASP HB2 H 1 2.388 . . 2 . . . . 44 D HB1 . 15371 1 516 . 1 1 44 44 ASP HB3 H 1 2.894 . . 2 . . . . 44 D HB2 . 15371 1 517 . 1 1 44 44 ASP C C 13 173.627 . . 1 . . . . 44 D C . 15371 1 518 . 1 1 44 44 ASP CA C 13 55.390 . . 1 . . . . 44 D CA . 15371 1 519 . 1 1 44 44 ASP CB C 13 41.700 . . 1 . . . . 44 D CB . 15371 1 520 . 1 1 44 44 ASP N N 15 121.100 . . 1 . . . . 44 D N . 15371 1 521 . 1 1 45 45 LEU H H 1 8.340 . . 1 . . . . 45 L HN . 15371 1 522 . 1 1 45 45 LEU HA H 1 5.305 . . 1 . . . . 45 L HA . 15371 1 523 . 1 1 45 45 LEU HB2 H 1 1.571 . . 2 . . . . 45 L HB1 . 15371 1 524 . 1 1 45 45 LEU HB3 H 1 1.790 . . 2 . . . . 45 L HB2 . 15371 1 525 . 1 1 45 45 LEU HD11 H 1 0.855 . . 2 . . . . 45 L HD11 . 15371 1 526 . 1 1 45 45 LEU HD12 H 1 0.855 . . 2 . . . . 45 L HD11 . 15371 1 527 . 1 1 45 45 LEU HD13 H 1 0.855 . . 2 . . . . 45 L HD11 . 15371 1 528 . 1 1 45 45 LEU HD21 H 1 0.826 . . 2 . . . . 45 L HD21 . 15371 1 529 . 1 1 45 45 LEU HD22 H 1 0.826 . . 2 . . . . 45 L HD21 . 15371 1 530 . 1 1 45 45 LEU HD23 H 1 0.826 . . 2 . . . . 45 L HD21 . 15371 1 531 . 1 1 45 45 LEU HG H 1 1.552 . . 1 . . . . 45 L HG . 15371 1 532 . 1 1 45 45 LEU C C 13 176.894 . . 1 . . . . 45 L C . 15371 1 533 . 1 1 45 45 LEU CA C 13 52.925 . . 1 . . . . 45 L CA . 15371 1 534 . 1 1 45 45 LEU CB C 13 45.875 . . 1 . . . . 45 L CB . 15371 1 535 . 1 1 45 45 LEU CD1 C 13 24.269 . . 1 . . . . 45 L CD1 . 15371 1 536 . 1 1 45 45 LEU CD2 C 13 25.572 . . 1 . . . . 45 L CD2 . 15371 1 537 . 1 1 45 45 LEU CG C 13 27.244 . . 1 . . . . 45 L CG . 15371 1 538 . 1 1 45 45 LEU N N 15 120.331 . . 1 . . . . 45 L N . 15371 1 539 . 1 1 46 46 LEU H H 1 9.992 . . 1 . . . . 46 L HN . 15371 1 540 . 1 1 46 46 LEU HA H 1 5.673 . . 1 . . . . 46 L HA . 15371 1 541 . 1 1 46 46 LEU HB2 H 1 1.276 . . 2 . . . . 46 L HB1 . 15371 1 542 . 1 1 46 46 LEU HB3 H 1 1.786 . . 2 . . . . 46 L HB2 . 15371 1 543 . 1 1 46 46 LEU HD11 H 1 0.433 . . 2 . . . . 46 L HD11 . 15371 1 544 . 1 1 46 46 LEU HD12 H 1 0.433 . . 2 . . . . 46 L HD11 . 15371 1 545 . 1 1 46 46 LEU HD13 H 1 0.433 . . 2 . . . . 46 L HD11 . 15371 1 546 . 1 1 46 46 LEU HD21 H 1 0.595 . . 2 . . . . 46 L HD21 . 15371 1 547 . 1 1 46 46 LEU HD22 H 1 0.595 . . 2 . . . . 46 L HD21 . 15371 1 548 . 1 1 46 46 LEU HD23 H 1 0.595 . . 2 . . . . 46 L HD21 . 15371 1 549 . 1 1 46 46 LEU HG H 1 1.510 . . 1 . . . . 46 L HG . 15371 1 550 . 1 1 46 46 LEU C C 13 176.459 . . 1 . . . . 46 L C . 15371 1 551 . 1 1 46 46 LEU CA C 13 53.210 . . 1 . . . . 46 L CA . 15371 1 552 . 1 1 46 46 LEU CB C 13 43.618 . . 1 . . . . 46 L CB . 15371 1 553 . 1 1 46 46 LEU CD1 C 13 25.346 . . 1 . . . . 46 L CD1 . 15371 1 554 . 1 1 46 46 LEU CD2 C 13 24.259 . . 1 . . . . 46 L CD2 . 15371 1 555 . 1 1 46 46 LEU CG C 13 27.420 . . 1 . . . . 46 L CG . 15371 1 556 . 1 1 46 46 LEU N N 15 126.360 . . 1 . . . . 46 L N . 15371 1 557 . 1 1 47 47 SER H H 1 8.880 . . 1 . . . . 47 S HN . 15371 1 558 . 1 1 47 47 SER HA H 1 5.495 . . 1 . . . . 47 S HA . 15371 1 559 . 1 1 47 47 SER HB2 H 1 3.775 . . 2 . . . . 47 S HB1 . 15371 1 560 . 1 1 47 47 SER HB3 H 1 4.020 . . 2 . . . . 47 S HB2 . 15371 1 561 . 1 1 47 47 SER C C 13 172.069 . . 1 . . . . 47 S C . 15371 1 562 . 1 1 47 47 SER CA C 13 55.600 . . 1 . . . . 47 S CA . 15371 1 563 . 1 1 47 47 SER CB C 13 63.161 . . 1 . . . . 47 S CB . 15371 1 564 . 1 1 47 47 SER N N 15 118.103 . . 1 . . . . 47 S N . 15371 1 565 . 1 1 48 48 PRO HA H 1 3.664 . . 1 . . . . 48 P HA . 15371 1 566 . 1 1 48 48 PRO HB2 H 1 1.746 . . 2 . . . . 48 P HB1 . 15371 1 567 . 1 1 48 48 PRO HB3 H 1 1.915 . . 2 . . . . 48 P HB2 . 15371 1 568 . 1 1 48 48 PRO HD2 H 1 4.112 . . 2 . . . . 48 P HD1 . 15371 1 569 . 1 1 48 48 PRO HD3 H 1 3.898 . . 2 . . . . 48 P HD2 . 15371 1 570 . 1 1 48 48 PRO HG2 H 1 2.060 . . 2 . . . . 48 P HG1 . 15371 1 571 . 1 1 48 48 PRO HG3 H 1 2.135 . . 2 . . . . 48 P HG2 . 15371 1 572 . 1 1 48 48 PRO C C 13 176.684 . . 1 . . . . 48 P C . 15371 1 573 . 1 1 48 48 PRO CA C 13 64.142 . . 1 . . . . 48 P CA . 15371 1 574 . 1 1 48 48 PRO CB C 13 32.338 . . 1 . . . . 48 P CB . 15371 1 575 . 1 1 48 48 PRO CD C 13 51.100 . . 1 . . . . 48 P CD . 15371 1 576 . 1 1 48 48 PRO CG C 13 27.660 . . 1 . . . . 48 P CG . 15371 1 577 . 1 1 49 49 LEU H H 1 8.417 . . 1 . . . . 49 L HN . 15371 1 578 . 1 1 49 49 LEU HA H 1 4.522 . . 1 . . . . 49 L HA . 15371 1 579 . 1 1 49 49 LEU HB2 H 1 1.467 . . 2 . . . . 49 L HB1 . 15371 1 580 . 1 1 49 49 LEU HB3 H 1 1.510 . . 2 . . . . 49 L HB2 . 15371 1 581 . 1 1 49 49 LEU HD11 H 1 0.868 . . 2 . . . . 49 L HD11 . 15371 1 582 . 1 1 49 49 LEU HD12 H 1 0.868 . . 2 . . . . 49 L HD11 . 15371 1 583 . 1 1 49 49 LEU HD13 H 1 0.868 . . 2 . . . . 49 L HD11 . 15371 1 584 . 1 1 49 49 LEU HD21 H 1 0.868 . . 2 . . . . 49 L HD21 . 15371 1 585 . 1 1 49 49 LEU HD22 H 1 0.868 . . 2 . . . . 49 L HD21 . 15371 1 586 . 1 1 49 49 LEU HD23 H 1 0.868 . . 2 . . . . 49 L HD21 . 15371 1 587 . 1 1 49 49 LEU HG H 1 1.475 . . 1 . . . . 49 L HG . 15371 1 588 . 1 1 49 49 LEU C C 13 176.218 . . 1 . . . . 49 L C . 15371 1 589 . 1 1 49 49 LEU CA C 13 54.897 . . 1 . . . . 49 L CA . 15371 1 590 . 1 1 49 49 LEU CB C 13 42.939 . . 1 . . . . 49 L CB . 15371 1 591 . 1 1 49 49 LEU CD1 C 13 23.320 . . 1 . . . . 49 L CD1 . 15371 1 592 . 1 1 49 49 LEU CD2 C 13 26.406 . . 1 . . . . 49 L CD2 . 15371 1 593 . 1 1 49 49 LEU CG C 13 27.200 . . 1 . . . . 49 L CG . 15371 1 594 . 1 1 49 49 LEU N N 15 122.870 . . 1 . . . . 49 L N . 15371 1 595 . 1 1 50 50 GLN H H 1 7.727 . . 1 . . . . 50 Q HN . 15371 1 596 . 1 1 50 50 GLN HA H 1 4.404 . . 1 . . . . 50 Q HA . 15371 1 597 . 1 1 50 50 GLN HB2 H 1 1.980 . . 2 . . . . 50 Q HB1 . 15371 1 598 . 1 1 50 50 GLN HB3 H 1 2.293 . . 2 . . . . 50 Q HB2 . 15371 1 599 . 1 1 50 50 GLN HE21 H 1 7.520 . . 2 . . . . 50 Q HE21 . 15371 1 600 . 1 1 50 50 GLN HE22 H 1 6.850 . . 2 . . . . 50 Q HE22 . 15371 1 601 . 1 1 50 50 GLN HG2 H 1 2.303 . . 2 . . . . 50 Q HG2 . 15371 1 602 . 1 1 50 50 GLN C C 13 175.188 . . 1 . . . . 50 Q C . 15371 1 603 . 1 1 50 50 GLN CA C 13 55.489 . . 1 . . . . 50 Q CA . 15371 1 604 . 1 1 50 50 GLN CB C 13 30.435 . . 1 . . . . 50 Q CB . 15371 1 605 . 1 1 50 50 GLN CG C 13 33.536 . . 1 . . . . 50 Q CG . 15371 1 606 . 1 1 50 50 GLN N N 15 115.438 . . 1 . . . . 50 Q N . 15371 1 607 . 1 1 50 50 GLN NE2 N 15 112.300 . . 1 . . . . 50 Q NE2 . 15371 1 608 . 1 1 51 51 ASN H H 1 8.870 . . 1 . . . . 51 N HN . 15371 1 609 . 1 1 51 51 ASN HA H 1 4.357 . . 1 . . . . 51 N HA . 15371 1 610 . 1 1 51 51 ASN HB2 H 1 2.925 . . 2 . . . . 51 N HB1 . 15371 1 611 . 1 1 51 51 ASN HB3 H 1 2.906 . . 2 . . . . 51 N HB2 . 15371 1 612 . 1 1 51 51 ASN HD21 H 1 7.662 . . 2 . . . . 51 N HD21 . 15371 1 613 . 1 1 51 51 ASN HD22 H 1 6.911 . . 2 . . . . 51 N HD22 . 15371 1 614 . 1 1 51 51 ASN C C 13 174.705 . . 1 . . . . 51 N C . 15371 1 615 . 1 1 51 51 ASN CA C 13 55.395 . . 1 . . . . 51 N CA . 15371 1 616 . 1 1 51 51 ASN CB C 13 37.662 . . 1 . . . . 51 N CB . 15371 1 617 . 1 1 51 51 ASN N N 15 118.955 . . 1 . . . . 51 N N . 15371 1 618 . 1 1 51 51 ASN ND2 N 15 112.930 . . 1 . . . . 51 N ND2 . 15371 1 619 . 1 1 52 52 ALA H H 1 8.450 . . 1 . . . . 52 A HN . 15371 1 620 . 1 1 52 52 ALA HA H 1 4.312 . . 1 . . . . 52 A HA . 15371 1 621 . 1 1 52 52 ALA HB1 H 1 1.672 . . 1 . . . . 52 A HB1 . 15371 1 622 . 1 1 52 52 ALA HB2 H 1 1.672 . . 1 . . . . 52 A HB1 . 15371 1 623 . 1 1 52 52 ALA HB3 H 1 1.672 . . 1 . . . . 52 A HB1 . 15371 1 624 . 1 1 52 52 ALA C C 13 175.204 . . 1 . . . . 52 A C . 15371 1 625 . 1 1 52 52 ALA CA C 13 53.392 . . 1 . . . . 52 A CA . 15371 1 626 . 1 1 52 52 ALA CB C 13 18.161 . . 1 . . . . 52 A CB . 15371 1 627 . 1 1 52 52 ALA N N 15 120.620 . . 1 . . . . 52 A N . 15371 1 628 . 1 1 53 53 LEU H H 1 7.830 . . 1 . . . . 53 L HN . 15371 1 629 . 1 1 53 53 LEU HA H 1 5.236 . . 1 . . . . 53 L HA . 15371 1 630 . 1 1 53 53 LEU HB2 H 1 1.650 . . 2 . . . . 53 L HB1 . 15371 1 631 . 1 1 53 53 LEU HB3 H 1 1.696 . . 2 . . . . 53 L HB2 . 15371 1 632 . 1 1 53 53 LEU HD11 H 1 0.953 . . 2 . . . . 53 L HD11 . 15371 1 633 . 1 1 53 53 LEU HD12 H 1 0.953 . . 2 . . . . 53 L HD11 . 15371 1 634 . 1 1 53 53 LEU HD13 H 1 0.953 . . 2 . . . . 53 L HD11 . 15371 1 635 . 1 1 53 53 LEU HD21 H 1 1.016 . . 2 . . . . 53 L HD21 . 15371 1 636 . 1 1 53 53 LEU HD22 H 1 1.016 . . 2 . . . . 53 L HD21 . 15371 1 637 . 1 1 53 53 LEU HD23 H 1 1.016 . . 2 . . . . 53 L HD21 . 15371 1 638 . 1 1 53 53 LEU HG H 1 1.653 . . 1 . . . . 53 L HG . 15371 1 639 . 1 1 53 53 LEU C C 13 175.703 . . 1 . . . . 53 L C . 15371 1 640 . 1 1 53 53 LEU CA C 13 54.404 . . 1 . . . . 53 L CA . 15371 1 641 . 1 1 53 53 LEU CB C 13 45.258 . . 1 . . . . 53 L CB . 15371 1 642 . 1 1 53 53 LEU CD1 C 13 24.876 . . 1 . . . . 53 L CD1 . 15371 1 643 . 1 1 53 53 LEU CD2 C 13 24.760 . . 1 . . . . 53 L CD2 . 15371 1 644 . 1 1 53 53 LEU CG C 13 27.392 . . 1 . . . . 53 L CG . 15371 1 645 . 1 1 53 53 LEU N N 15 119.852 . . 1 . . . . 53 L N . 15371 1 646 . 1 1 54 54 TYR H H 1 9.190 . . 1 . . . . 54 Y HN . 15371 1 647 . 1 1 54 54 TYR HA H 1 5.195 . . 1 . . . . 54 Y HA . 15371 1 648 . 1 1 54 54 TYR HB2 H 1 2.666 . . 2 . . . . 54 Y HB1 . 15371 1 649 . 1 1 54 54 TYR HB3 H 1 2.844 . . 2 . . . . 54 Y HB2 . 15371 1 650 . 1 1 54 54 TYR HD1 H 1 6.858 . . 3 . . . . 54 Y HD1 . 15371 1 651 . 1 1 54 54 TYR HE1 H 1 6.579 . . 3 . . . . 54 Y HE1 . 15371 1 652 . 1 1 54 54 TYR HH H 1 6.940 . . 1 . . . . 54 Y HH . 15371 1 653 . 1 1 54 54 TYR C C 13 174.946 . . 1 . . . . 54 Y C . 15371 1 654 . 1 1 54 54 TYR CA C 13 56.370 . . 1 . . . . 54 Y CA . 15371 1 655 . 1 1 54 54 TYR CB C 13 42.790 . . 1 . . . . 54 Y CB . 15371 1 656 . 1 1 54 54 TYR N N 15 123.420 . . 1 . . . . 54 Y N . 15371 1 657 . 1 1 55 55 CYS H H 1 9.710 . . 1 . . . . 55 C HN . 15371 1 658 . 1 1 55 55 CYS HA H 1 5.878 . . 1 . . . . 55 C HA . 15371 1 659 . 1 1 55 55 CYS HB2 H 1 2.633 . . 2 . . . . 55 C HB1 . 15371 1 660 . 1 1 55 55 CYS HB3 H 1 3.306 . . 2 . . . . 55 C HB2 . 15371 1 661 . 1 1 55 55 CYS C C 13 173.691 . . 1 . . . . 55 C C . 15371 1 662 . 1 1 55 55 CYS CA C 13 55.020 . . 1 . . . . 55 C CA . 15371 1 663 . 1 1 55 55 CYS CB C 13 31.643 . . 1 . . . . 55 C CB . 15371 1 664 . 1 1 55 55 CYS N N 15 115.828 . . 1 . . . . 55 C N . 15371 1 665 . 1 1 56 56 ILE H H 1 7.940 . . 1 . . . . 56 I HN . 15371 1 666 . 1 1 56 56 ILE HA H 1 4.600 . . 1 . . . . 56 I HA . 15371 1 667 . 1 1 56 56 ILE HB H 1 1.626 . . 1 . . . . 56 I HB . 15371 1 668 . 1 1 56 56 ILE HD11 H 1 0.700 . . 1 . . . . 56 I HD11 . 15371 1 669 . 1 1 56 56 ILE HD12 H 1 0.700 . . 1 . . . . 56 I HD11 . 15371 1 670 . 1 1 56 56 ILE HD13 H 1 0.700 . . 1 . . . . 56 I HD11 . 15371 1 671 . 1 1 56 56 ILE HG12 H 1 1.570 . . 1 . . . . 56 I HG11 . 15371 1 672 . 1 1 56 56 ILE HG13 H 1 0.593 . . 1 . . . . 56 I HG12 . 15371 1 673 . 1 1 56 56 ILE HG21 H 1 0.933 . . 2 . . . . 56 I HG21 . 15371 1 674 . 1 1 56 56 ILE HG22 H 1 0.933 . . 2 . . . . 56 I HG21 . 15371 1 675 . 1 1 56 56 ILE HG23 H 1 0.933 . . 2 . . . . 56 I HG21 . 15371 1 676 . 1 1 56 56 ILE C C 13 177.199 . . 1 . . . . 56 I C . 15371 1 677 . 1 1 56 56 ILE CA C 13 61.161 . . 1 . . . . 56 I CA . 15371 1 678 . 1 1 56 56 ILE CB C 13 39.592 . . 1 . . . . 56 I CB . 15371 1 679 . 1 1 56 56 ILE CD1 C 13 14.964 . . 1 . . . . 56 I CD1 . 15371 1 680 . 1 1 56 56 ILE CG1 C 13 28.130 . . 2 . . . . 56 I CG1 . 15371 1 681 . 1 1 56 56 ILE CG2 C 13 18.449 . . 1 . . . . 56 I CG2 . 15371 1 682 . 1 1 56 56 ILE N N 15 120.654 . . 1 . . . . 56 I N . 15371 1 683 . 1 1 57 57 ASN H H 1 10.155 . . 1 . . . . 57 N HN . 15371 1 684 . 1 1 57 57 ASN HA H 1 4.467 . . 1 . . . . 57 N HA . 15371 1 685 . 1 1 57 57 ASN HB2 H 1 2.887 . . 2 . . . . 57 N HB1 . 15371 1 686 . 1 1 57 57 ASN HB3 H 1 3.015 . . 2 . . . . 57 N HB2 . 15371 1 687 . 1 1 57 57 ASN HD21 H 1 7.793 . . 2 . . . . 57 N HD21 . 15371 1 688 . 1 1 57 57 ASN HD22 H 1 7.315 . . 2 . . . . 57 N HD22 . 15371 1 689 . 1 1 57 57 ASN C C 13 173.949 . . 1 . . . . 57 N C . 15371 1 690 . 1 1 57 57 ASN CA C 13 54.879 . . 1 . . . . 57 N CA . 15371 1 691 . 1 1 57 57 ASN CB C 13 37.022 . . 1 . . . . 57 N CB . 15371 1 692 . 1 1 57 57 ASN N N 15 129.268 . . 1 . . . . 57 N N . 15371 1 693 . 1 1 57 57 ASN ND2 N 15 116.850 . . 1 . . . . 57 N ND2 . 15371 1 694 . 1 1 58 58 ARG H H 1 9.386 . . 1 . . . . 58 R HN . 15371 1 695 . 1 1 58 58 ARG HA H 1 3.608 . . 1 . . . . 58 R HA . 15371 1 696 . 1 1 58 58 ARG HB2 H 1 1.934 . . 2 . . . . 58 R HB1 . 15371 1 697 . 1 1 58 58 ARG HB3 H 1 2.049 . . 2 . . . . 58 R HB2 . 15371 1 698 . 1 1 58 58 ARG HD2 H 1 3.090 . . 2 . . . . 58 R HD1 . 15371 1 699 . 1 1 58 58 ARG HD3 H 1 3.130 . . 2 . . . . 58 R HD2 . 15371 1 700 . 1 1 58 58 ARG HG2 H 1 1.467 . . 2 . . . . 58 R HG2 . 15371 1 701 . 1 1 58 58 ARG C C 13 174.689 . . 1 . . . . 58 R C . 15371 1 702 . 1 1 58 58 ARG CA C 13 58.099 . . 1 . . . . 58 R CA . 15371 1 703 . 1 1 58 58 ARG CB C 13 27.160 . . 1 . . . . 58 R CB . 15371 1 704 . 1 1 58 58 ARG CD C 13 43.340 . . 1 . . . . 58 R CD . 15371 1 705 . 1 1 58 58 ARG CG C 13 28.300 . . 1 . . . . 58 R CG . 15371 1 706 . 1 1 58 58 ARG N N 15 108.140 . . 1 . . . . 58 R N . 15371 1 707 . 1 1 59 59 GLU H H 1 7.630 . . 1 . . . . 59 E HN . 15371 1 708 . 1 1 59 59 GLU HA H 1 4.417 . . 1 . . . . 59 E HA . 15371 1 709 . 1 1 59 59 GLU HB2 H 1 1.690 . . 2 . . . . 59 E HB1 . 15371 1 710 . 1 1 59 59 GLU HB3 H 1 1.846 . . 2 . . . . 59 E HB2 . 15371 1 711 . 1 1 59 59 GLU HG2 H 1 1.764 . . 2 . . . . 59 E HG1 . 15371 1 712 . 1 1 59 59 GLU HG3 H 1 1.844 . . 2 . . . . 59 E HG2 . 15371 1 713 . 1 1 59 59 GLU C C 13 176.202 . . 1 . . . . 59 E C . 15371 1 714 . 1 1 59 59 GLU CA C 13 54.650 . . 1 . . . . 59 E CA . 15371 1 715 . 1 1 59 59 GLU CB C 13 28.490 . . 1 . . . . 59 E CB . 15371 1 716 . 1 1 59 59 GLU CG C 13 35.440 . . 1 . . . . 59 E CG . 15371 1 717 . 1 1 59 59 GLU N N 15 122.657 . . 1 . . . . 59 E N . 15371 1 718 . 1 1 60 60 LYS H H 1 8.245 . . 1 . . . . 60 K HN . 15371 1 719 . 1 1 60 60 LYS HA H 1 3.792 . . 1 . . . . 60 K HA . 15371 1 720 . 1 1 60 60 LYS HB2 H 1 1.727 . . 2 . . . . 60 K HB2 . 15371 1 721 . 1 1 60 60 LYS HD2 H 1 1.636 . . 2 . . . . 60 K HD2 . 15371 1 722 . 1 1 60 60 LYS HE2 H 1 2.945 . . 2 . . . . 60 K HE2 . 15371 1 723 . 1 1 60 60 LYS HG2 H 1 1.369 . . 2 . . . . 60 K HG1 . 15371 1 724 . 1 1 60 60 LYS HG3 H 1 1.441 . . 2 . . . . 60 K HG2 . 15371 1 725 . 1 1 60 60 LYS C C 13 175.960 . . 1 . . . . 60 K C . 15371 1 726 . 1 1 60 60 LYS CA C 13 59.828 . . 1 . . . . 60 K CA . 15371 1 727 . 1 1 60 60 LYS CB C 13 32.466 . . 1 . . . . 60 K CB . 15371 1 728 . 1 1 60 60 LYS CD C 13 29.330 . . 1 . . . . 60 K CD . 15371 1 729 . 1 1 60 60 LYS CE C 13 42.047 . . 1 . . . . 60 K CE . 15371 1 730 . 1 1 60 60 LYS CG C 13 25.370 . . 1 . . . . 60 K CG . 15371 1 731 . 1 1 60 60 LYS N N 15 125.802 . . 1 . . . . 60 K N . 15371 1 732 . 1 1 61 61 LEU H H 1 8.210 . . 1 . . . . 61 L HN . 15371 1 733 . 1 1 61 61 LEU HA H 1 4.267 . . 1 . . . . 61 L HA . 15371 1 734 . 1 1 61 61 LEU HB2 H 1 1.479 . . 2 . . . . 61 L HB1 . 15371 1 735 . 1 1 61 61 LEU HB3 H 1 1.555 . . 2 . . . . 61 L HB2 . 15371 1 736 . 1 1 61 61 LEU HD11 H 1 0.897 . . 2 . . . . 61 L HD11 . 15371 1 737 . 1 1 61 61 LEU HD12 H 1 0.897 . . 2 . . . . 61 L HD11 . 15371 1 738 . 1 1 61 61 LEU HD13 H 1 0.897 . . 2 . . . . 61 L HD11 . 15371 1 739 . 1 1 61 61 LEU HD21 H 1 0.857 . . 2 . . . . 61 L HD21 . 15371 1 740 . 1 1 61 61 LEU HD22 H 1 0.857 . . 2 . . . . 61 L HD21 . 15371 1 741 . 1 1 61 61 LEU HD23 H 1 0.857 . . 2 . . . . 61 L HD21 . 15371 1 742 . 1 1 61 61 LEU HG H 1 1.605 . . 1 . . . . 61 L HG . 15371 1 743 . 1 1 61 61 LEU C C 13 178.100 . . 1 . . . . 61 L C . 15371 1 744 . 1 1 61 61 LEU CA C 13 55.367 . . 1 . . . . 61 L CA . 15371 1 745 . 1 1 61 61 LEU CB C 13 41.400 . . 1 . . . . 61 L CB . 15371 1 746 . 1 1 61 61 LEU CD1 C 13 25.000 . . 1 . . . . 61 L CD1 . 15371 1 747 . 1 1 61 61 LEU CD2 C 13 22.765 . . 1 . . . . 61 L CD2 . 15371 1 748 . 1 1 61 61 LEU CG C 13 27.150 . . 1 . . . . 61 L CG . 15371 1 749 . 1 1 61 61 LEU N N 15 113.583 . . 1 . . . . 61 L N . 15371 1 750 . 1 1 62 62 HIS H H 1 8.145 . . 1 . . . . 62 H HN . 15371 1 751 . 1 1 62 62 HIS HA H 1 4.322 . . 1 . . . . 62 H HA . 15371 1 752 . 1 1 62 62 HIS HB2 H 1 2.379 . . 2 . . . . 62 H HB1 . 15371 1 753 . 1 1 62 62 HIS HB3 H 1 3.298 . . 2 . . . . 62 H HB2 . 15371 1 754 . 1 1 62 62 HIS HD2 H 1 6.184 . . 3 . . . . 62 H HD2 . 15371 1 755 . 1 1 62 62 HIS HE2 H 1 7.915 . . 3 . . . . 62 H HE2 . 15371 1 756 . 1 1 62 62 HIS C C 13 173.209 . . 1 . . . . 62 H C . 15371 1 757 . 1 1 62 62 HIS CA C 13 52.167 . . 1 . . . . 62 H CA . 15371 1 758 . 1 1 62 62 HIS CB C 13 28.250 . . 1 . . . . 62 H CB . 15371 1 759 . 1 1 62 62 HIS N N 15 121.000 . . 1 . . . . 62 H N . 15371 1 760 . 1 1 63 63 THR H H 1 7.520 . . 1 . . . . 63 T HN . 15371 1 761 . 1 1 63 63 THR HA H 1 5.284 . . 1 . . . . 63 T HA . 15371 1 762 . 1 1 63 63 THR HB H 1 4.275 . . 1 . . . . 63 T HB . 15371 1 763 . 1 1 63 63 THR HG21 H 1 1.178 . . 1 . . . . 63 T HG21 . 15371 1 764 . 1 1 63 63 THR HG22 H 1 1.178 . . 1 . . . . 63 T HG21 . 15371 1 765 . 1 1 63 63 THR HG23 H 1 1.178 . . 1 . . . . 63 T HG21 . 15371 1 766 . 1 1 63 63 THR C C 13 174.930 . . 1 . . . . 63 T C . 15371 1 767 . 1 1 63 63 THR CA C 13 60.458 . . 1 . . . . 63 T CA . 15371 1 768 . 1 1 63 63 THR CB C 13 72.089 . . 1 . . . . 63 T CB . 15371 1 769 . 1 1 63 63 THR CG2 C 13 22.680 . . 1 . . . . 63 T CG2 . 15371 1 770 . 1 1 63 63 THR N N 15 111.135 . . 1 . . . . 63 T N . 15371 1 771 . 1 1 64 64 VAL H H 1 9.220 . . 1 . . . . 64 V HN . 15371 1 772 . 1 1 64 64 VAL HA H 1 4.592 . . 1 . . . . 64 V HA . 15371 1 773 . 1 1 64 64 VAL HB H 1 1.834 . . 1 . . . . 64 V HB . 15371 1 774 . 1 1 64 64 VAL HG11 H 1 0.773 . . 2 . . . . 64 V HG11 . 15371 1 775 . 1 1 64 64 VAL HG12 H 1 0.773 . . 2 . . . . 64 V HG11 . 15371 1 776 . 1 1 64 64 VAL HG13 H 1 0.773 . . 2 . . . . 64 V HG11 . 15371 1 777 . 1 1 64 64 VAL HG21 H 1 0.813 . . 2 . . . . 64 V HG21 . 15371 1 778 . 1 1 64 64 VAL HG22 H 1 0.813 . . 2 . . . . 64 V HG21 . 15371 1 779 . 1 1 64 64 VAL HG23 H 1 0.813 . . 2 . . . . 64 V HG21 . 15371 1 780 . 1 1 64 64 VAL C C 13 172.710 . . 1 . . . . 64 V C . 15371 1 781 . 1 1 64 64 VAL CA C 13 60.255 . . 1 . . . . 64 V CA . 15371 1 782 . 1 1 64 64 VAL CB C 13 35.400 . . 1 . . . . 64 V CB . 15371 1 783 . 1 1 64 64 VAL CG1 C 13 21.400 . . 1 . . . . 64 V CG1 . 15371 1 784 . 1 1 64 64 VAL CG2 C 13 22.230 . . 1 . . . . 64 V CG2 . 15371 1 785 . 1 1 64 64 VAL N N 15 119.340 . . 1 . . . . 64 V N . 15371 1 786 . 1 1 65 65 LYS H H 1 8.800 . . 1 . . . . 65 K HN . 15371 1 787 . 1 1 65 65 LYS HA H 1 5.198 . . 1 . . . . 65 K HA . 15371 1 788 . 1 1 65 65 LYS HB2 H 1 1.753 . . 2 . . . . 65 K HB1 . 15371 1 789 . 1 1 65 65 LYS HB3 H 1 1.910 . . 2 . . . . 65 K HB2 . 15371 1 790 . 1 1 65 65 LYS HD2 H 1 1.650 . . 2 . . . . 65 K HD1 . 15371 1 791 . 1 1 65 65 LYS HD3 H 1 1.730 . . 2 . . . . 65 K HD2 . 15371 1 792 . 1 1 65 65 LYS HE2 H 1 2.990 . . 2 . . . . 65 K HE2 . 15371 1 793 . 1 1 65 65 LYS HG2 H 1 1.332 . . 2 . . . . 65 K HG1 . 15371 1 794 . 1 1 65 65 LYS HG3 H 1 1.420 . . 2 . . . . 65 K HG2 . 15371 1 795 . 1 1 65 65 LYS C C 13 175.944 . . 1 . . . . 65 K C . 15371 1 796 . 1 1 65 65 LYS CA C 13 54.436 . . 1 . . . . 65 K CA . 15371 1 797 . 1 1 65 65 LYS CB C 13 35.400 . . 1 . . . . 65 K CB . 15371 1 798 . 1 1 65 65 LYS CD C 13 29.660 . . 1 . . . . 65 K CD . 15371 1 799 . 1 1 65 65 LYS CE C 13 42.108 . . 1 . . . . 65 K CE . 15371 1 800 . 1 1 65 65 LYS CG C 13 25.340 . . 1 . . . . 65 K CG . 15371 1 801 . 1 1 65 65 LYS N N 15 126.707 . . 1 . . . . 65 K N . 15371 1 802 . 1 1 66 66 VAL H H 1 9.090 . . 1 . . . . 66 V HN . 15371 1 803 . 1 1 66 66 VAL HA H 1 4.100 . . 1 . . . . 66 V HA . 15371 1 804 . 1 1 66 66 VAL HB H 1 2.124 . . 1 . . . . 66 V HB . 15371 1 805 . 1 1 66 66 VAL HG11 H 1 0.624 . . 2 . . . . 66 V HG11 . 15371 1 806 . 1 1 66 66 VAL HG12 H 1 0.624 . . 2 . . . . 66 V HG11 . 15371 1 807 . 1 1 66 66 VAL HG13 H 1 0.624 . . 2 . . . . 66 V HG11 . 15371 1 808 . 1 1 66 66 VAL HG21 H 1 0.770 . . 2 . . . . 66 V HG21 . 15371 1 809 . 1 1 66 66 VAL HG22 H 1 0.770 . . 2 . . . . 66 V HG21 . 15371 1 810 . 1 1 66 66 VAL HG23 H 1 0.770 . . 2 . . . . 66 V HG21 . 15371 1 811 . 1 1 66 66 VAL C C 13 175.687 . . 1 . . . . 66 V C . 15371 1 812 . 1 1 66 66 VAL CA C 13 63.371 . . 1 . . . . 66 V CA . 15371 1 813 . 1 1 66 66 VAL CB C 13 31.846 . . 1 . . . . 66 V CB . 15371 1 814 . 1 1 66 66 VAL CG1 C 13 21.360 . . 1 . . . . 66 V CG1 . 15371 1 815 . 1 1 66 66 VAL CG2 C 13 21.360 . . 1 . . . . 66 V CG2 . 15371 1 816 . 1 1 66 66 VAL N N 15 127.000 . . 1 . . . . 66 V N . 15371 1 817 . 1 1 67 67 LEU H H 1 9.340 . . 1 . . . . 67 L HN . 15371 1 818 . 1 1 67 67 LEU HA H 1 4.295 . . 1 . . . . 67 L HA . 15371 1 819 . 1 1 67 67 LEU HB2 H 1 1.550 . . 2 . . . . 67 L HB1 . 15371 1 820 . 1 1 67 67 LEU HB3 H 1 1.580 . . 2 . . . . 67 L HB2 . 15371 1 821 . 1 1 67 67 LEU HD11 H 1 0.834 . . 2 . . . . 67 L HD11 . 15371 1 822 . 1 1 67 67 LEU HD12 H 1 0.834 . . 2 . . . . 67 L HD11 . 15371 1 823 . 1 1 67 67 LEU HD13 H 1 0.834 . . 2 . . . . 67 L HD11 . 15371 1 824 . 1 1 67 67 LEU HD21 H 1 0.805 . . 2 . . . . 67 L HD21 . 15371 1 825 . 1 1 67 67 LEU HD22 H 1 0.805 . . 2 . . . . 67 L HD21 . 15371 1 826 . 1 1 67 67 LEU HD23 H 1 0.805 . . 2 . . . . 67 L HD21 . 15371 1 827 . 1 1 67 67 LEU HG H 1 1.635 . . 1 . . . . 67 L HG . 15371 1 828 . 1 1 67 67 LEU C C 13 177.473 . . 1 . . . . 67 L C . 15371 1 829 . 1 1 67 67 LEU CA C 13 56.160 . . 1 . . . . 67 L CA . 15371 1 830 . 1 1 67 67 LEU CB C 13 42.363 . . 1 . . . . 67 L CB . 15371 1 831 . 1 1 67 67 LEU CD1 C 13 25.544 . . 1 . . . . 67 L CD1 . 15371 1 832 . 1 1 67 67 LEU CD2 C 13 22.672 . . 1 . . . . 67 L CD2 . 15371 1 833 . 1 1 67 67 LEU CG C 13 27.400 . . 1 . . . . 67 L CG . 15371 1 834 . 1 1 67 67 LEU N N 15 129.900 . . 1 . . . . 67 L N . 15371 1 835 . 1 1 68 68 SER H H 1 7.730 . . 1 . . . . 68 S HN . 15371 1 836 . 1 1 68 68 SER HA H 1 4.489 . . 1 . . . . 68 S HA . 15371 1 837 . 1 1 68 68 SER HB2 H 1 3.864 . . 2 . . . . 68 S HB1 . 15371 1 838 . 1 1 68 68 SER HB3 H 1 3.832 . . 2 . . . . 68 S HB2 . 15371 1 839 . 1 1 68 68 SER C C 13 171.551 . . 1 . . . . 68 S C . 15371 1 840 . 1 1 68 68 SER CA C 13 57.807 . . 1 . . . . 68 S CA . 15371 1 841 . 1 1 68 68 SER CB C 13 64.670 . . 1 . . . . 68 S CB . 15371 1 842 . 1 1 68 68 SER N N 15 111.284 . . 1 . . . . 68 S N . 15371 1 843 . 1 1 69 69 ALA H H 1 8.341 . . 1 . . . . 69 A HN . 15371 1 844 . 1 1 69 69 ALA HA H 1 5.393 . . 1 . . . . 69 A HA . 15371 1 845 . 1 1 69 69 ALA HB1 H 1 1.200 . . 1 . . . . 69 A HB1 . 15371 1 846 . 1 1 69 69 ALA HB2 H 1 1.200 . . 1 . . . . 69 A HB1 . 15371 1 847 . 1 1 69 69 ALA HB3 H 1 1.200 . . 1 . . . . 69 A HB1 . 15371 1 848 . 1 1 69 69 ALA C C 13 176.057 . . 1 . . . . 69 A C . 15371 1 849 . 1 1 69 69 ALA CA C 13 51.751 . . 1 . . . . 69 A CA . 15371 1 850 . 1 1 69 69 ALA CB C 13 22.200 . . 1 . . . . 69 A CB . 15371 1 851 . 1 1 69 69 ALA N N 15 123.040 . . 1 . . . . 69 A N . 15371 1 852 . 1 1 70 70 SER H H 1 9.060 . . 1 . . . . 70 S HN . 15371 1 853 . 1 1 70 70 SER HA H 1 4.815 . . 1 . . . . 70 S HA . 15371 1 854 . 1 1 70 70 SER HB2 H 1 3.845 . . 2 . . . . 70 S HB2 . 15371 1 855 . 1 1 70 70 SER C C 13 173.209 . . 1 . . . . 70 S C . 15371 1 856 . 1 1 70 70 SER CA C 13 56.835 . . 1 . . . . 70 S CA . 15371 1 857 . 1 1 70 70 SER CB C 13 66.380 . . 1 . . . . 70 S CB . 15371 1 858 . 1 1 70 70 SER N N 15 115.695 . . 1 . . . . 70 S N . 15371 1 859 . 1 1 71 71 SER H H 1 8.783 . . 1 . . . . 71 S HN . 15371 1 860 . 1 1 71 71 SER HA H 1 4.710 . . 1 . . . . 71 S HA . 15371 1 861 . 1 1 71 71 SER HB2 H 1 3.939 . . 2 . . . . 71 S HB1 . 15371 1 862 . 1 1 71 71 SER HB3 H 1 4.005 . . 2 . . . . 71 S HB2 . 15371 1 863 . 1 1 71 71 SER C C 13 174.705 . . 1 . . . . 71 S C . 15371 1 864 . 1 1 71 71 SER CA C 13 59.950 . . 1 . . . . 71 S CA . 15371 1 865 . 1 1 71 71 SER CB C 13 63.380 . . 1 . . . . 71 S CB . 15371 1 866 . 1 1 71 71 SER N N 15 117.829 . . 1 . . . . 71 S N . 15371 1 867 . 1 1 72 72 TYR H H 1 8.395 . . 1 . . . . 72 Y HN . 15371 1 868 . 1 1 72 72 TYR HA H 1 4.140 . . 1 . . . . 72 Y HA . 15371 1 869 . 1 1 72 72 TYR HB2 H 1 2.540 . . 2 . . . . 72 Y HB1 . 15371 1 870 . 1 1 72 72 TYR HB3 H 1 2.712 . . 2 . . . . 72 Y HB2 . 15371 1 871 . 1 1 72 72 TYR HD1 H 1 6.841 . . 3 . . . . 72 Y HD1 . 15371 1 872 . 1 1 72 72 TYR HE1 H 1 6.580 . . 3 . . . . 72 Y HE1 . 15371 1 873 . 1 1 72 72 TYR C C 13 175.204 . . 1 . . . . 72 Y C . 15371 1 874 . 1 1 72 72 TYR CA C 13 59.950 . . 1 . . . . 72 Y CA . 15371 1 875 . 1 1 72 72 TYR CB C 13 39.690 . . 1 . . . . 72 Y CB . 15371 1 876 . 1 1 72 72 TYR N N 15 122.970 . . 1 . . . . 72 Y N . 15371 1 877 . 1 1 73 73 SER H H 1 6.360 . . 1 . . . . 73 S HN . 15371 1 878 . 1 1 73 73 SER HA H 1 4.229 . . 1 . . . . 73 S HA . 15371 1 879 . 1 1 73 73 SER HB2 H 1 3.880 . . 2 . . . . 73 S HB1 . 15371 1 880 . 1 1 73 73 SER HB3 H 1 4.085 . . 2 . . . . 73 S HB2 . 15371 1 881 . 1 1 73 73 SER C C 13 171.889 . . 1 . . . . 73 S C . 15371 1 882 . 1 1 73 73 SER CA C 13 56.359 . . 1 . . . . 73 S CA . 15371 1 883 . 1 1 73 73 SER CB C 13 63.870 . . 1 . . . . 73 S CB . 15371 1 884 . 1 1 73 73 SER N N 15 120.371 . . 1 . . . . 73 S N . 15371 1 885 . 1 1 74 74 PRO HA H 1 4.226 . . 1 . . . . 74 P HA . 15371 1 886 . 1 1 74 74 PRO HB2 H 1 2.086 . . 2 . . . . 74 P HB1 . 15371 1 887 . 1 1 74 74 PRO HB3 H 1 2.494 . . 2 . . . . 74 P HB2 . 15371 1 888 . 1 1 74 74 PRO HD2 H 1 3.634 . . 2 . . . . 74 P HD1 . 15371 1 889 . 1 1 74 74 PRO HD3 H 1 3.899 . . 2 . . . . 74 P HD2 . 15371 1 890 . 1 1 74 74 PRO HG2 H 1 2.170 . . 2 . . . . 74 P HG1 . 15371 1 891 . 1 1 74 74 PRO HG3 H 1 2.254 . . 2 . . . . 74 P HG2 . 15371 1 892 . 1 1 74 74 PRO C C 13 178.953 . . 1 . . . . 74 P C . 15371 1 893 . 1 1 74 74 PRO CA C 13 65.800 . . 1 . . . . 74 P CA . 15371 1 894 . 1 1 74 74 PRO CB C 13 31.700 . . 1 . . . . 74 P CB . 15371 1 895 . 1 1 74 74 PRO CD C 13 50.538 . . 1 . . . . 74 P CD . 15371 1 896 . 1 1 74 74 PRO CG C 13 27.794 . . 1 . . . . 74 P CG . 15371 1 897 . 1 1 75 75 ASP H H 1 8.445 . . 1 . . . . 75 D HN . 15371 1 898 . 1 1 75 75 ASP HA H 1 4.396 . . 1 . . . . 75 D HA . 15371 1 899 . 1 1 75 75 ASP HB2 H 1 2.556 . . 2 . . . . 75 D HB1 . 15371 1 900 . 1 1 75 75 ASP HB3 H 1 2.628 . . 2 . . . . 75 D HB2 . 15371 1 901 . 1 1 75 75 ASP C C 13 178.519 . . 1 . . . . 75 D C . 15371 1 902 . 1 1 75 75 ASP CA C 13 56.746 . . 1 . . . . 75 D CA . 15371 1 903 . 1 1 75 75 ASP CB C 13 40.100 . . 1 . . . . 75 D CB . 15371 1 904 . 1 1 75 75 ASP N N 15 115.818 . . 1 . . . . 75 D N . 15371 1 905 . 1 1 76 76 GLU H H 1 7.600 . . 1 . . . . 76 E HN . 15371 1 906 . 1 1 76 76 GLU HA H 1 4.235 . . 1 . . . . 76 E HA . 15371 1 907 . 1 1 76 76 GLU HB2 H 1 1.796 . . 2 . . . . 76 E HB1 . 15371 1 908 . 1 1 76 76 GLU HB3 H 1 1.979 . . 2 . . . . 76 E HB2 . 15371 1 909 . 1 1 76 76 GLU HG2 H 1 2.234 . . 2 . . . . 76 E HG1 . 15371 1 910 . 1 1 76 76 GLU HG3 H 1 2.420 . . 2 . . . . 76 E HG2 . 15371 1 911 . 1 1 76 76 GLU C C 13 178.084 . . 1 . . . . 76 E C . 15371 1 912 . 1 1 76 76 GLU CA C 13 58.043 . . 1 . . . . 76 E CA . 15371 1 913 . 1 1 76 76 GLU CB C 13 29.356 . . 1 . . . . 76 E CB . 15371 1 914 . 1 1 76 76 GLU CG C 13 35.447 . . 1 . . . . 76 E CG . 15371 1 915 . 1 1 76 76 GLU N N 15 121.762 . . 1 . . . . 76 E N . 15371 1 916 . 1 1 77 77 TRP H H 1 8.150 . . 1 . . . . 77 W HN . 15371 1 917 . 1 1 77 77 TRP HA H 1 4.253 . . 1 . . . . 77 W HA . 15371 1 918 . 1 1 77 77 TRP HB2 H 1 3.306 . . 2 . . . . 77 W HB1 . 15371 1 919 . 1 1 77 77 TRP HB3 H 1 3.474 . . 2 . . . . 77 W HB2 . 15371 1 920 . 1 1 77 77 TRP HD1 H 1 7.308 . . 1 . . . . 77 W HD1 . 15371 1 921 . 1 1 77 77 TRP HE1 H 1 10.087 . . 3 . . . . 77 W HE1 . 15371 1 922 . 1 1 77 77 TRP HH2 H 1 6.840 . . 1 . . . . 77 W HH2 . 15371 1 923 . 1 1 77 77 TRP HZ2 H 1 7.178 . . 3 . . . . 77 W HZ2 . 15371 1 924 . 1 1 77 77 TRP HZ3 H 1 6.720 . . 3 . . . . 77 W HZ3 . 15371 1 925 . 1 1 77 77 TRP C C 13 177.087 . . 1 . . . . 77 W C . 15371 1 926 . 1 1 77 77 TRP CA C 13 60.303 . . 1 . . . . 77 W CA . 15371 1 927 . 1 1 77 77 TRP CB C 13 29.715 . . 1 . . . . 77 W CB . 15371 1 928 . 1 1 77 77 TRP N N 15 120.566 . . 1 . . . . 77 W N . 15371 1 929 . 1 1 77 77 TRP NE1 N 15 130.424 . . 1 . . . . 77 W NE1 . 15371 1 930 . 1 1 78 78 GLU H H 1 7.880 . . 1 . . . . 78 E HN . 15371 1 931 . 1 1 78 78 GLU HA H 1 3.795 . . 1 . . . . 78 E HA . 15371 1 932 . 1 1 78 78 GLU HB2 H 1 2.088 . . 2 . . . . 78 E HB2 . 15371 1 933 . 1 1 78 78 GLU HG2 H 1 2.379 . . 2 . . . . 78 E HG1 . 15371 1 934 . 1 1 78 78 GLU HG3 H 1 2.435 . . 2 . . . . 78 E HG2 . 15371 1 935 . 1 1 78 78 GLU C C 13 178.969 . . 1 . . . . 78 E C . 15371 1 936 . 1 1 78 78 GLU CA C 13 59.400 . . 1 . . . . 78 E CA . 15371 1 937 . 1 1 78 78 GLU CB C 13 29.103 . . 1 . . . . 78 E CB . 15371 1 938 . 1 1 78 78 GLU CG C 13 35.950 . . 1 . . . . 78 E CG . 15371 1 939 . 1 1 78 78 GLU N N 15 116.854 . . 1 . . . . 78 E N . 15371 1 940 . 1 1 79 79 ARG H H 1 7.770 . . 1 . . . . 79 R HN . 15371 1 941 . 1 1 79 79 ARG HA H 1 3.873 . . 1 . . . . 79 R HA . 15371 1 942 . 1 1 79 79 ARG HB2 H 1 1.822 . . 2 . . . . 79 R HB1 . 15371 1 943 . 1 1 79 79 ARG HB3 H 1 1.870 . . 2 . . . . 79 R HB2 . 15371 1 944 . 1 1 79 79 ARG HD2 H 1 3.123 . . 2 . . . . 79 R HD1 . 15371 1 945 . 1 1 79 79 ARG HD3 H 1 3.221 . . 2 . . . . 79 R HD2 . 15371 1 946 . 1 1 79 79 ARG HG2 H 1 1.432 . . 2 . . . . 79 R HG1 . 15371 1 947 . 1 1 79 79 ARG HG3 H 1 1.662 . . 2 . . . . 79 R HG2 . 15371 1 948 . 1 1 79 79 ARG C C 13 179.195 . . 1 . . . . 79 R C . 15371 1 949 . 1 1 79 79 ARG CA C 13 59.750 . . 1 . . . . 79 R CA . 15371 1 950 . 1 1 79 79 ARG CB C 13 30.700 . . 1 . . . . 79 R CB . 15371 1 951 . 1 1 79 79 ARG CD C 13 43.158 . . 1 . . . . 79 R CD . 15371 1 952 . 1 1 79 79 ARG CG C 13 27.840 . . 1 . . . . 79 R CG . 15371 1 953 . 1 1 79 79 ARG N N 15 118.200 . . 1 . . . . 79 R N . 15371 1 954 . 1 1 80 80 GLN H H 1 8.180 . . 1 . . . . 80 Q HN . 15371 1 955 . 1 1 80 80 GLN HA H 1 3.954 . . 1 . . . . 80 Q HA . 15371 1 956 . 1 1 80 80 GLN HB2 H 1 1.680 . . 2 . . . . 80 Q HB1 . 15371 1 957 . 1 1 80 80 GLN HB3 H 1 1.985 . . 2 . . . . 80 Q HB2 . 15371 1 958 . 1 1 80 80 GLN HE21 H 1 7.820 . . 2 . . . . 80 Q HE21 . 15371 1 959 . 1 1 80 80 GLN HE22 H 1 6.536 . . 2 . . . . 80 Q HE22 . 15371 1 960 . 1 1 80 80 GLN HG2 H 1 2.358 . . 2 . . . . 80 Q HG2 . 15371 1 961 . 1 1 80 80 GLN C C 13 178.213 . . 1 . . . . 80 Q C . 15371 1 962 . 1 1 80 80 GLN CA C 13 58.540 . . 1 . . . . 80 Q CA . 15371 1 963 . 1 1 80 80 GLN CB C 13 27.900 . . 1 . . . . 80 Q CB . 15371 1 964 . 1 1 80 80 GLN CG C 13 33.804 . . 1 . . . . 80 Q CG . 15371 1 965 . 1 1 80 80 GLN N N 15 116.725 . . 1 . . . . 80 Q N . 15371 1 966 . 1 1 80 80 GLN NE2 N 15 111.064 . . 1 . . . . 80 Q NE2 . 15371 1 967 . 1 1 81 81 CYS H H 1 7.621 . . 1 . . . . 81 C HN . 15371 1 968 . 1 1 81 81 CYS HA H 1 3.966 . . 1 . . . . 81 C HA . 15371 1 969 . 1 1 81 81 CYS HB2 H 1 2.480 . . 2 . . . . 81 C HB2 . 15371 1 970 . 1 1 81 81 CYS C C 13 175.687 . . 1 . . . . 81 C C . 15371 1 971 . 1 1 81 81 CYS CA C 13 61.900 . . 1 . . . . 81 C CA . 15371 1 972 . 1 1 81 81 CYS CB C 13 27.284 . . 1 . . . . 81 C CB . 15371 1 973 . 1 1 81 81 CYS N N 15 115.700 . . 1 . . . . 81 C N . 15371 1 974 . 1 1 82 82 LYS H H 1 7.470 . . 1 . . . . 82 K HN . 15371 1 975 . 1 1 82 82 LYS HA H 1 4.098 . . 1 . . . . 82 K HA . 15371 1 976 . 1 1 82 82 LYS HB2 H 1 1.818 . . 2 . . . . 82 K HB2 . 15371 1 977 . 1 1 82 82 LYS HD2 H 1 1.618 . . 2 . . . . 82 K HD1 . 15371 1 978 . 1 1 82 82 LYS HE2 H 1 2.938 . . 2 . . . . 82 K HE2 . 15371 1 979 . 1 1 82 82 LYS HG2 H 1 1.350 . . 2 . . . . 82 K HG1 . 15371 1 980 . 1 1 82 82 LYS HG3 H 1 1.447 . . 2 . . . . 82 K HG2 . 15371 1 981 . 1 1 82 82 LYS C C 13 177.602 . . 1 . . . . 82 K C . 15371 1 982 . 1 1 82 82 LYS CA C 13 57.732 . . 1 . . . . 82 K CA . 15371 1 983 . 1 1 82 82 LYS CB C 13 32.522 . . 1 . . . . 82 K CB . 15371 1 984 . 1 1 82 82 LYS CD C 13 29.197 . . 1 . . . . 82 K CD . 15371 1 985 . 1 1 82 82 LYS CE C 13 41.961 . . 1 . . . . 82 K CE . 15371 1 986 . 1 1 82 82 LYS CG C 13 25.000 . . 1 . . . . 82 K CG . 15371 1 987 . 1 1 82 82 LYS N N 15 120.256 . . 1 . . . . 82 K N . 15371 1 988 . 1 1 83 83 VAL H H 1 7.830 . . 1 . . . . 83 V HN . 15371 1 989 . 1 1 83 83 VAL HA H 1 3.900 . . 1 . . . . 83 V HA . 15371 1 990 . 1 1 83 83 VAL HB H 1 2.045 . . 1 . . . . 83 V HB . 15371 1 991 . 1 1 83 83 VAL HG11 H 1 0.889 . . 2 . . . . 83 V HG11 . 15371 1 992 . 1 1 83 83 VAL HG12 H 1 0.889 . . 2 . . . . 83 V HG11 . 15371 1 993 . 1 1 83 83 VAL HG13 H 1 0.889 . . 2 . . . . 83 V HG11 . 15371 1 994 . 1 1 83 83 VAL HG21 H 1 0.926 . . 2 . . . . 83 V HG21 . 15371 1 995 . 1 1 83 83 VAL HG22 H 1 0.926 . . 2 . . . . 83 V HG21 . 15371 1 996 . 1 1 83 83 VAL HG23 H 1 0.926 . . 2 . . . . 83 V HG21 . 15371 1 997 . 1 1 83 83 VAL C C 13 176.459 . . 1 . . . . 83 V C . 15371 1 998 . 1 1 83 83 VAL CA C 13 63.500 . . 1 . . . . 83 V CA . 15371 1 999 . 1 1 83 83 VAL CB C 13 32.080 . . 1 . . . . 83 V CB . 15371 1 1000 . 1 1 83 83 VAL CG1 C 13 21.300 . . 1 . . . . 83 V CG1 . 15371 1 1001 . 1 1 83 83 VAL CG2 C 13 21.300 . . 1 . . . . 83 V CG2 . 15371 1 1002 . 1 1 83 83 VAL N N 15 120.000 . . 1 . . . . 83 V N . 15371 1 1003 . 1 1 84 84 ALA H H 1 8.180 . . 1 . . . . 84 A HN . 15371 1 1004 . 1 1 84 84 ALA HA H 1 4.223 . . 1 . . . . 84 A HA . 15371 1 1005 . 1 1 84 84 ALA HB1 H 1 1.341 . . 1 . . . . 84 A HB1 . 15371 1 1006 . 1 1 84 84 ALA HB2 H 1 1.341 . . 1 . . . . 84 A HB1 . 15371 1 1007 . 1 1 84 84 ALA HB3 H 1 1.341 . . 1 . . . . 84 A HB1 . 15371 1 1008 . 1 1 84 84 ALA C C 13 177.956 . . 1 . . . . 84 A C . 15371 1 1009 . 1 1 84 84 ALA CA C 13 52.950 . . 1 . . . . 84 A CA . 15371 1 1010 . 1 1 84 84 ALA CB C 13 19.146 . . 1 . . . . 84 A CB . 15371 1 1011 . 1 1 84 84 ALA N N 15 125.714 . . 1 . . . . 84 A N . 15371 1 1012 . 1 1 85 85 GLY H H 1 8.110 . . 1 . . . . 85 G HN . 15371 1 1013 . 1 1 85 85 GLY HA2 H 1 3.964 . . 2 . . . . 85 G HA1 . 15371 1 1014 . 1 1 85 85 GLY HA3 H 1 3.888 . . 2 . . . . 85 G HA2 . 15371 1 1015 . 1 1 85 85 GLY C C 13 173.933 . . 1 . . . . 85 G C . 15371 1 1016 . 1 1 85 85 GLY CA C 13 45.209 . . 1 . . . . 85 G CA . 15371 1 1017 . 1 1 85 85 GLY N N 15 106.815 . . 1 . . . . 85 G N . 15371 1 1018 . 1 1 86 86 LYS H H 1 7.992 . . 1 . . . . 86 K HN . 15371 1 1019 . 1 1 86 86 LYS HA H 1 4.397 . . 1 . . . . 86 K HA . 15371 1 1020 . 1 1 86 86 LYS HB2 H 1 1.763 . . 2 . . . . 86 K HB1 . 15371 1 1021 . 1 1 86 86 LYS HB3 H 1 1.845 . . 2 . . . . 86 K HB2 . 15371 1 1022 . 1 1 86 86 LYS HD2 H 1 1.673 . . 2 . . . . 86 K HD2 . 15371 1 1023 . 1 1 86 86 LYS HE2 H 1 2.995 . . 2 . . . . 86 K HE2 . 15371 1 1024 . 1 1 86 86 LYS HG2 H 1 1.454 . . 2 . . . . 86 K HG2 . 15371 1 1025 . 1 1 86 86 LYS C C 13 176.684 . . 1 . . . . 86 K C . 15371 1 1026 . 1 1 86 86 LYS CA C 13 56.230 . . 1 . . . . 86 K CA . 15371 1 1027 . 1 1 86 86 LYS CB C 13 33.101 . . 1 . . . . 86 K CB . 15371 1 1028 . 1 1 86 86 LYS CD C 13 29.060 . . 1 . . . . 86 K CD . 15371 1 1029 . 1 1 86 86 LYS CE C 13 42.167 . . 1 . . . . 86 K CE . 15371 1 1030 . 1 1 86 86 LYS CG C 13 24.660 . . 1 . . . . 86 K CG . 15371 1 1031 . 1 1 86 86 LYS N N 15 120.894 . . 1 . . . . 86 K N . 15371 1 1032 . 1 1 87 87 THR H H 1 8.280 . . 1 . . . . 87 T HN . 15371 1 1033 . 1 1 87 87 THR HA H 1 4.355 . . 1 . . . . 87 T HA . 15371 1 1034 . 1 1 87 87 THR HB H 1 4.243 . . 1 . . . . 87 T HB . 15371 1 1035 . 1 1 87 87 THR HG21 H 1 1.197 . . 1 . . . . 87 T HG21 . 15371 1 1036 . 1 1 87 87 THR HG22 H 1 1.197 . . 1 . . . . 87 T HG21 . 15371 1 1037 . 1 1 87 87 THR HG23 H 1 1.197 . . 1 . . . . 87 T HG21 . 15371 1 1038 . 1 1 87 87 THR C C 13 173.707 . . 1 . . . . 87 T C . 15371 1 1039 . 1 1 87 87 THR CA C 13 61.909 . . 1 . . . . 87 T CA . 15371 1 1040 . 1 1 87 87 THR CB C 13 69.900 . . 1 . . . . 87 T CB . 15371 1 1041 . 1 1 87 87 THR CG2 C 13 21.660 . . 1 . . . . 87 T CG2 . 15371 1 1042 . 1 1 87 87 THR N N 15 116.194 . . 1 . . . . 87 T N . 15371 1 1043 . 1 1 88 88 GLN H H 1 8.036 . . 1 . . . . 88 Q HN . 15371 1 1044 . 1 1 88 88 GLN HA H 1 4.180 . . 1 . . . . 88 Q HA . 15371 1 1045 . 1 1 88 88 GLN HB2 H 1 1.943 . . 2 . . . . 88 Q HB1 . 15371 1 1046 . 1 1 88 88 GLN HB3 H 1 2.115 . . 2 . . . . 88 Q HB2 . 15371 1 1047 . 1 1 88 88 GLN HE21 H 1 7.589 . . 2 . . . . 88 Q HE21 . 15371 1 1048 . 1 1 88 88 GLN HG2 H 1 2.294 . . 2 . . . . 88 Q HG2 . 15371 1 1049 . 1 1 88 88 GLN C C 13 180.342 . . 1 . . . . 88 Q C . 15371 1 1050 . 1 1 88 88 GLN CA C 13 57.330 . . 1 . . . . 88 Q CA . 15371 1 1051 . 1 1 88 88 GLN CB C 13 30.411 . . 1 . . . . 88 Q CB . 15371 1 1052 . 1 1 88 88 GLN CG C 13 34.260 . . 1 . . . . 88 Q CG . 15371 1 1053 . 1 1 88 88 GLN N N 15 127.341 . . 1 . . . . 88 Q N . 15371 1 1054 . 1 1 88 88 GLN NE2 N 15 112.200 . . 1 . . . . 88 Q NE2 . 15371 1 stop_ save_