data_15055 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15055 _Entry.Title ; Structure for the N-terminus of chromosomal replication initiation protein dnaA from M. genitalium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-27 _Entry.Accession_date 2006-11-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Thomas Lowery . J. . 15055 2 Jeffrey Pelton . G. . 15055 3 David Wemmer . E. . 15055 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 BSGC 'Berkeley Structural Genomics Center' . 15055 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID domain . 15055 N-terminal . 15055 protein . 15055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 15055 '15N chemical shifts' 99 15055 '1H chemical shifts' 602 15055 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-11-27 update BMRB 'complete entry citation' 15055 1 . . 2007-10-16 2006-11-27 original author 'original release' 15055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1L8Q 'Structure of the remainder of the protein' 15055 PDB 2JMP 'BMRB Entry Tracking System' 15055 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15055 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17680349 _Citation.Full_citation . _Citation.Title 'NMR Structure of the N-terminal domain of the replication initiator protein DnaA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full 'Journal of Structural and Functional Genomics' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 11 _Citation.Page_last 17 _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 Thomas Lowery . J. . 15055 1 2 Jeffrey Pelton . G. . 15055 1 3 John-Marc Chandonia . . . 15055 1 4 Rosalind Kim . . . 15055 1 5 Hisao Yokota . . . 15055 1 6 David Wemmer . E. . 15055 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bacteria 15055 1 'DNA replication' 15055 1 'solution structure' 15055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15055 _Assembly.ID 1 _Assembly.Name 'N-term of dnaA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminus of dnaA from M. genitalium' _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 N_dnaA 1 $N_dnaA A . yes native no no . . . 15055 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes SWISS-PROT P35888 . . . . . . 15055 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'replication initiation' 15055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N_dnaA _Entity.Sf_category entity _Entity.Sf_framecode N_dnaA _Entity.Entry_ID 15055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N_dnaA _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 ; MEQFNAFKSLLKKHYEKTIG FHDKYIKDINRFVFKNNVLL ILLENEFARNSLNDNSEIIH LAESLYEGIKSVNFVNEQDF FFNLAKLEENSRDTLYQNSG ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11870.441 _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 2JMP . "Structure For The N-Terminus Of Chromosomal Replication Initiation Protein Dnaa From M. Genitalium" . . . . . 100.00 107 100.00 100.00 2.41e-62 . . . . 15055 1 2 no GB AAC72490 . "chromosomal replication initiator protein DnaA [Mycoplasma genitalium G37]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 3 no GB ABY79668 . "chromosomal replication initiator protein DnaA [synthetic Mycoplasma genitalium JCVI-1.0]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 4 no GB AFQ03308 . "chromosomal replication initiation protein [Mycoplasma genitalium M2321]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 5 no GB AFQ03792 . "chromosomal replication initiation protein [Mycoplasma genitalium M6282]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 6 no GB AFQ04301 . "chromosomal replication initiation protein [Mycoplasma genitalium M6320]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 7 no REF WP_010869493 . "chromosomal replication initiator protein DnaA [Mycoplasma genitalium]" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 8 no REF WP_014894707 . "chromosomal replication initiator protein DnaA [Mycoplasma genitalium]" . . . . . 100.00 437 100.00 100.00 2.09e-59 . . . . 15055 1 9 no SP P35888 . "RecName: Full=Chromosomal replication initiator protein DnaA" . . . . . 100.00 437 100.00 100.00 1.92e-59 . . . . 15055 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'replication initiation' 15055 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 . 15055 1 2 . GLU . 15055 1 3 . GLN . 15055 1 4 . PHE . 15055 1 5 . ASN . 15055 1 6 . ALA . 15055 1 7 . PHE . 15055 1 8 . LYS . 15055 1 9 . SER . 15055 1 10 . LEU . 15055 1 11 . LEU . 15055 1 12 . LYS . 15055 1 13 . LYS . 15055 1 14 . HIS . 15055 1 15 . TYR . 15055 1 16 . GLU . 15055 1 17 . LYS . 15055 1 18 . THR . 15055 1 19 . ILE . 15055 1 20 . GLY . 15055 1 21 . PHE . 15055 1 22 . HIS . 15055 1 23 . ASP . 15055 1 24 . LYS . 15055 1 25 . TYR . 15055 1 26 . ILE . 15055 1 27 . LYS . 15055 1 28 . ASP . 15055 1 29 . ILE . 15055 1 30 . ASN . 15055 1 31 . ARG . 15055 1 32 . PHE . 15055 1 33 . VAL . 15055 1 34 . PHE . 15055 1 35 . LYS . 15055 1 36 . ASN . 15055 1 37 . ASN . 15055 1 38 . VAL . 15055 1 39 . LEU . 15055 1 40 . LEU . 15055 1 41 . ILE . 15055 1 42 . LEU . 15055 1 43 . LEU . 15055 1 44 . GLU . 15055 1 45 . ASN . 15055 1 46 . GLU . 15055 1 47 . PHE . 15055 1 48 . ALA . 15055 1 49 . ARG . 15055 1 50 . ASN . 15055 1 51 . SER . 15055 1 52 . LEU . 15055 1 53 . ASN . 15055 1 54 . ASP . 15055 1 55 . ASN . 15055 1 56 . SER . 15055 1 57 . GLU . 15055 1 58 . ILE . 15055 1 59 . ILE . 15055 1 60 . HIS . 15055 1 61 . LEU . 15055 1 62 . ALA . 15055 1 63 . GLU . 15055 1 64 . SER . 15055 1 65 . LEU . 15055 1 66 . TYR . 15055 1 67 . GLU . 15055 1 68 . GLY . 15055 1 69 . ILE . 15055 1 70 . LYS . 15055 1 71 . SER . 15055 1 72 . VAL . 15055 1 73 . ASN . 15055 1 74 . PHE . 15055 1 75 . VAL . 15055 1 76 . ASN . 15055 1 77 . GLU . 15055 1 78 . GLN . 15055 1 79 . ASP . 15055 1 80 . PHE . 15055 1 81 . PHE . 15055 1 82 . PHE . 15055 1 83 . ASN . 15055 1 84 . LEU . 15055 1 85 . ALA . 15055 1 86 . LYS . 15055 1 87 . LEU . 15055 1 88 . GLU . 15055 1 89 . GLU . 15055 1 90 . ASN . 15055 1 91 . SER . 15055 1 92 . ARG . 15055 1 93 . ASP . 15055 1 94 . THR . 15055 1 95 . LEU . 15055 1 96 . TYR . 15055 1 97 . GLN . 15055 1 98 . ASN . 15055 1 99 . SER . 15055 1 100 . GLY . 15055 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 15055 1 . GLU 2 2 15055 1 . GLN 3 3 15055 1 . PHE 4 4 15055 1 . ASN 5 5 15055 1 . ALA 6 6 15055 1 . PHE 7 7 15055 1 . LYS 8 8 15055 1 . SER 9 9 15055 1 . LEU 10 10 15055 1 . LEU 11 11 15055 1 . LYS 12 12 15055 1 . LYS 13 13 15055 1 . HIS 14 14 15055 1 . TYR 15 15 15055 1 . GLU 16 16 15055 1 . LYS 17 17 15055 1 . THR 18 18 15055 1 . ILE 19 19 15055 1 . GLY 20 20 15055 1 . PHE 21 21 15055 1 . HIS 22 22 15055 1 . ASP 23 23 15055 1 . LYS 24 24 15055 1 . TYR 25 25 15055 1 . ILE 26 26 15055 1 . LYS 27 27 15055 1 . ASP 28 28 15055 1 . ILE 29 29 15055 1 . ASN 30 30 15055 1 . ARG 31 31 15055 1 . PHE 32 32 15055 1 . VAL 33 33 15055 1 . PHE 34 34 15055 1 . LYS 35 35 15055 1 . ASN 36 36 15055 1 . ASN 37 37 15055 1 . VAL 38 38 15055 1 . LEU 39 39 15055 1 . LEU 40 40 15055 1 . ILE 41 41 15055 1 . LEU 42 42 15055 1 . LEU 43 43 15055 1 . GLU 44 44 15055 1 . ASN 45 45 15055 1 . GLU 46 46 15055 1 . PHE 47 47 15055 1 . ALA 48 48 15055 1 . ARG 49 49 15055 1 . ASN 50 50 15055 1 . SER 51 51 15055 1 . LEU 52 52 15055 1 . ASN 53 53 15055 1 . ASP 54 54 15055 1 . ASN 55 55 15055 1 . SER 56 56 15055 1 . GLU 57 57 15055 1 . ILE 58 58 15055 1 . ILE 59 59 15055 1 . HIS 60 60 15055 1 . LEU 61 61 15055 1 . ALA 62 62 15055 1 . GLU 63 63 15055 1 . SER 64 64 15055 1 . LEU 65 65 15055 1 . TYR 66 66 15055 1 . GLU 67 67 15055 1 . GLY 68 68 15055 1 . ILE 69 69 15055 1 . LYS 70 70 15055 1 . SER 71 71 15055 1 . VAL 72 72 15055 1 . ASN 73 73 15055 1 . PHE 74 74 15055 1 . VAL 75 75 15055 1 . ASN 76 76 15055 1 . GLU 77 77 15055 1 . GLN 78 78 15055 1 . ASP 79 79 15055 1 . PHE 80 80 15055 1 . PHE 81 81 15055 1 . PHE 82 82 15055 1 . ASN 83 83 15055 1 . LEU 84 84 15055 1 . ALA 85 85 15055 1 . LYS 86 86 15055 1 . LEU 87 87 15055 1 . GLU 88 88 15055 1 . GLU 89 89 15055 1 . ASN 90 90 15055 1 . SER 91 91 15055 1 . ARG 92 92 15055 1 . ASP 93 93 15055 1 . THR 94 94 15055 1 . LEU 95 95 15055 1 . TYR 96 96 15055 1 . GLN 97 97 15055 1 . ASN 98 98 15055 1 . SER 99 99 15055 1 . GLY 100 100 15055 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 15055 _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 $N_dnaA . 2097 organism . 'Mycoplasma genitalium' 'Mycoplasma genitalium' . . Bacteria . Mycoplasma genitalium . . . . . . . . . . . . . . . . . . . . . 15055 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 15055 _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 $N_dnaA . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . LIC(pB3) . . . . . . 15055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15055 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N-labeled' _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 N_dnaA '[U-100% 15N]' . . 1 $N_dnaA . . 0.75 . . mM 0.2 . . . 15055 1 2 'sodium phosphate' . . . . . . . 50 . . mM 10 . . . 15055 1 3 'sodium chloride' . . . . . . . 100 . . mM 10 . . . 15055 1 4 EDTA . . . . . . . 2 . . mM 1 . . . 15055 1 5 'sodium azide' . . . . . . . 0.05 . . % 0.01 . . . 15055 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15055 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 13C/15N-labeled' _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 N_dnaA '[U-98% 13C; U-98% 15N]' . . 1 $N_dnaA . . 0.75 . . mM 0.2 . . . 15055 2 2 'sodium phosphate' . . . . . . . 50 . . mM 10 . . . 15055 2 3 'sodium chloride' . . . . . . . 100 . . mM 10 . . . 15055 2 4 EDTA . . . . . . . 2 . . mM 1 . . . 15055 2 5 'sodium azide' . . . . . . . 0.05 . . % 0.01 . . . 15055 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15055 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details unlabeled _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 N_dnaA 'natural abundance' . . 1 $N_dnaA . . 0.75 . . mM 0.2 . . . 15055 3 2 'sodium phosphate' . . . . . . . 50 . . mM 10 . . . 15055 3 3 'sodium chloride' . . . . . . . 100 . . mM 10 . . . 15055 3 4 EDTA . . . . . . . 2 . . mM 1 . . . 15055 3 5 'sodium azide' . . . . . . . 0.05 . . % 0.01 . . . 15055 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15055 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details unlabeled _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 N_dnaA '[U-98% 13C; U-98% 15N]' . . 1 $N_dnaA . . 0.75 . . mM 0.2 . . . 15055 4 2 'sodium phosphate' . . . . . . . 50 . . mM 10 . . . 15055 4 3 'sodium chloride' . . . . . . . 100 . . mM 10 . . . 15055 4 4 EDTA . . . . . . . 2 . . mM 1 . . . 15055 4 5 'sodium azide' . . . . . . . 0.05 . . % 0.01 . . . 15055 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15055 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% 13C labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 N_dnaA '[10% 13C]' . . 1 $N_dnaA . . 0.75 . . mM 0.2 . . . 15055 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 10 . . . 15055 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 15055 5 4 EDTA 'natural abundance' . . . . . . 2 . . mM 1 . . . 15055 5 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % 0.01 . . . 15055 5 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 15055 _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 pH 6.8 0.2 pH 15055 1 pressure 1 . atm 15055 1 temperature 298 2 K 15055 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15055 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.5 _Software.Details 'Revision 2006.184.15.37' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; NIDDK NIH Bethesda, MD. ; delaglio@nih.gov 15055 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15055 1 processing 15055 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15055 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.5 _Software.Details 'Date 2006-07-05' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller & Datonal AG' 'CH-6343 Rotkreuz' http://www.nmr.ch/ 15055 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15055 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15055 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' ; NIDDK, NIH Bethesda, MD. ; Charles@Schwieters.org 15055 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15055 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15055 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15055 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15055 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15055 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 15055 1 2 spectrometer_2 Bruker DMX . 600 . . . 15055 1 3 spectrometer_3 Bruker Avance . 800 . . . 15055 1 4 spectrometer_4 Bruker Avance . 900 . . . 15055 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 15055 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 7 '3d HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15055 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 13 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 1 16 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15055 1 19 '4D HCCH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15055 1 21 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 1 22 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 1 23 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15055 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 15055 _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 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15055 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 15055 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15055 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 15055 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15055 1 2 '3D HNCA' . . . 15055 1 3 '3D CBCA(CO)NH' . . . 15055 1 4 '3D HNCACB' . . . 15055 1 5 '3D HNCO' . . . 15055 1 6 '3D C(CO)NH' . . . 15055 1 7 '3d HN(CA)CO' . . . 15055 1 8 '3D HNHA' . . . 15055 1 9 '3D HN(CA)CO' . . . 15055 1 10 '3D H(CCO)NH' . . . 15055 1 11 '3D 1H-15N TOCSY' . . . 15055 1 12 '3D HCCH-TOCSY' . . . 15055 1 14 '3D HBHA(CO)NH' . . . 15055 1 14 '3D HBHA(CO)NH' . . . 15055 1 20 '2D 1H-13C HSQC' . . . 15055 1 22 '2D DQF-COSY' . . . 15055 1 23 '2D 1H-1H TOCSY' . . . 15055 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 2 $CARA . . 15055 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU H H 1 8.44 0.02 . 1 . . . . 2 GLU H . 15055 1 2 . 1 1 2 2 GLU HA H 1 4.08 0.02 . 1 . . . . 2 GLU HA . 15055 1 3 . 1 1 2 2 GLU HB2 H 1 1.98 0.02 . 2 . . . . 2 GLU HB2 . 15055 1 4 . 1 1 2 2 GLU HB3 H 1 2.05 0.02 . 2 . . . . 2 GLU HB3 . 15055 1 5 . 1 1 2 2 GLU HG2 H 1 2.26 0.02 . 2 . . . . 2 GLU HG2 . 15055 1 6 . 1 1 2 2 GLU HG3 H 1 2.30 0.02 . 2 . . . . 2 GLU HG3 . 15055 1 7 . 1 1 2 2 GLU C C 13 179.8 0.2 . 1 . . . . 2 GLU C . 15055 1 8 . 1 1 2 2 GLU CA C 13 60.2 0.2 . 1 . . . . 2 GLU CA . 15055 1 9 . 1 1 2 2 GLU CB C 13 29.0 0.2 . 1 . . . . 2 GLU CB . 15055 1 10 . 1 1 2 2 GLU CG C 13 36.9 0.2 . 1 . . . . 2 GLU CG . 15055 1 11 . 1 1 2 2 GLU N N 15 121.1 0.2 . 1 . . . . 2 GLU N . 15055 1 12 . 1 1 3 3 GLN H H 1 8.01 0.02 . 1 . . . . 3 GLN H . 15055 1 13 . 1 1 3 3 GLN HA H 1 4.05 0.02 . 1 . . . . 3 GLN HA . 15055 1 14 . 1 1 3 3 GLN HB2 H 1 1.86 0.02 . 2 . . . . 3 GLN HB2 . 15055 1 15 . 1 1 3 3 GLN HG2 H 1 1.94 0.02 . 2 . . . . 3 GLN HG2 . 15055 1 16 . 1 1 3 3 GLN HG3 H 1 1.76 0.02 . 2 . . . . 3 GLN HG3 . 15055 1 17 . 1 1 3 3 GLN C C 13 179.6 0.2 . 1 . . . . 3 GLN C . 15055 1 18 . 1 1 3 3 GLN CA C 13 59.0 0.2 . 1 . . . . 3 GLN CA . 15055 1 19 . 1 1 3 3 GLN CB C 13 29.4 0.2 . 1 . . . . 3 GLN CB . 15055 1 20 . 1 1 3 3 GLN CG C 13 33.4 0.2 . 1 . . . . 3 GLN CG . 15055 1 21 . 1 1 3 3 GLN N N 15 121.0 0.2 . 1 . . . . 3 GLN N . 15055 1 22 . 1 1 4 4 PHE H H 1 7.70 0.02 . 1 . . . . 4 PHE H . 15055 1 23 . 1 1 4 4 PHE HA H 1 4.29 0.02 . 1 . . . . 4 PHE HA . 15055 1 24 . 1 1 4 4 PHE HB2 H 1 2.73 0.02 . 2 . . . . 4 PHE HB2 . 15055 1 25 . 1 1 4 4 PHE HB3 H 1 2.53 0.02 . 2 . . . . 4 PHE HB3 . 15055 1 26 . 1 1 4 4 PHE HD1 H 1 6.90 0.02 . 3 . . . . 4 PHE HD1 . 15055 1 27 . 1 1 4 4 PHE C C 13 178.6 0.2 . 1 . . . . 4 PHE C . 15055 1 28 . 1 1 4 4 PHE CA C 13 61.9 0.2 . 1 . . . . 4 PHE CA . 15055 1 29 . 1 1 4 4 PHE CB C 13 39.3 0.2 . 1 . . . . 4 PHE CB . 15055 1 30 . 1 1 4 4 PHE CD1 C 13 131.6 0.2 . 3 . . . . 4 PHE CD1 . 15055 1 31 . 1 1 4 4 PHE N N 15 120.5 0.2 . 1 . . . . 4 PHE N . 15055 1 32 . 1 1 5 5 ASN H H 1 8.72 0.02 . 1 . . . . 5 ASN H . 15055 1 33 . 1 1 5 5 ASN HA H 1 4.30 0.02 . 1 . . . . 5 ASN HA . 15055 1 34 . 1 1 5 5 ASN HB2 H 1 2.92 0.02 . 2 . . . . 5 ASN HB2 . 15055 1 35 . 1 1 5 5 ASN HB3 H 1 2.73 0.02 . 2 . . . . 5 ASN HB3 . 15055 1 36 . 1 1 5 5 ASN C C 13 179.2 0.2 . 1 . . . . 5 ASN C . 15055 1 37 . 1 1 5 5 ASN CA C 13 56.0 0.2 . 1 . . . . 5 ASN CA . 15055 1 38 . 1 1 5 5 ASN CB C 13 37.4 0.2 . 1 . . . . 5 ASN CB . 15055 1 39 . 1 1 5 5 ASN N N 15 118.6 0.2 . 1 . . . . 5 ASN N . 15055 1 40 . 1 1 6 6 ALA H H 1 8.05 0.02 . 1 . . . . 6 ALA H . 15055 1 41 . 1 1 6 6 ALA HA H 1 4.15 0.02 . 1 . . . . 6 ALA HA . 15055 1 42 . 1 1 6 6 ALA HB1 H 1 1.53 0.02 . 1 . . . . 6 ALA HB . 15055 1 43 . 1 1 6 6 ALA HB2 H 1 1.53 0.02 . 1 . . . . 6 ALA HB . 15055 1 44 . 1 1 6 6 ALA HB3 H 1 1.53 0.02 . 1 . . . . 6 ALA HB . 15055 1 45 . 1 1 6 6 ALA C C 13 180.7 0.2 . 1 . . . . 6 ALA C . 15055 1 46 . 1 1 6 6 ALA CA C 13 55.2 0.2 . 1 . . . . 6 ALA CA . 15055 1 47 . 1 1 6 6 ALA CB C 13 17.3 0.2 . 1 . . . . 6 ALA CB . 15055 1 48 . 1 1 6 6 ALA N N 15 125.3 0.2 . 1 . . . . 6 ALA N . 15055 1 49 . 1 1 7 7 PHE H H 1 8.09 0.02 . 1 . . . . 7 PHE H . 15055 1 50 . 1 1 7 7 PHE HA H 1 4.14 0.02 . 1 . . . . 7 PHE HA . 15055 1 51 . 1 1 7 7 PHE HB2 H 1 3.24 0.02 . 2 . . . . 7 PHE HB2 . 15055 1 52 . 1 1 7 7 PHE HB3 H 1 3.18 0.02 . 2 . . . . 7 PHE HB3 . 15055 1 53 . 1 1 7 7 PHE HD1 H 1 6.83 0.02 . 3 . . . . 7 PHE HD1 . 15055 1 54 . 1 1 7 7 PHE C C 13 177.5 0.2 . 1 . . . . 7 PHE C . 15055 1 55 . 1 1 7 7 PHE CA C 13 60.4 0.2 . 1 . . . . 7 PHE CA . 15055 1 56 . 1 1 7 7 PHE CB C 13 38.3 0.2 . 1 . . . . 7 PHE CB . 15055 1 57 . 1 1 7 7 PHE CD1 C 13 131.1 0.2 . 3 . . . . 7 PHE CD1 . 15055 1 58 . 1 1 7 7 PHE N N 15 123.5 0.2 . 1 . . . . 7 PHE N . 15055 1 59 . 1 1 8 8 LYS H H 1 8.45 0.02 . 1 . . . . 8 LYS H . 15055 1 60 . 1 1 8 8 LYS HA H 1 3.30 0.02 . 1 . . . . 8 LYS HA . 15055 1 61 . 1 1 8 8 LYS HB2 H 1 1.83 0.02 . 2 . . . . 8 LYS HB2 . 15055 1 62 . 1 1 8 8 LYS HB3 H 1 1.68 0.02 . 2 . . . . 8 LYS HB3 . 15055 1 63 . 1 1 8 8 LYS HG2 H 1 1.13 0.02 . 2 . . . . 8 LYS HG2 . 15055 1 64 . 1 1 8 8 LYS HG3 H 1 0.75 0.02 . 2 . . . . 8 LYS HG3 . 15055 1 65 . 1 1 8 8 LYS HD2 H 1 1.72 0.02 . 2 . . . . 8 LYS HD2 . 15055 1 66 . 1 1 8 8 LYS HE2 H 1 3.05 0.02 . 2 . . . . 8 LYS HE2 . 15055 1 67 . 1 1 8 8 LYS C C 13 179.5 0.2 . 1 . . . . 8 LYS C . 15055 1 68 . 1 1 8 8 LYS CA C 13 61.6 0.2 . 1 . . . . 8 LYS CA . 15055 1 69 . 1 1 8 8 LYS CB C 13 31.7 0.2 . 1 . . . . 8 LYS CB . 15055 1 70 . 1 1 8 8 LYS CG C 13 26.7 0.2 . 1 . . . . 8 LYS CG . 15055 1 71 . 1 1 8 8 LYS CD C 13 30.4 0.2 . 1 . . . . 8 LYS CD . 15055 1 72 . 1 1 8 8 LYS CE C 13 42.2 0.2 . 1 . . . . 8 LYS CE . 15055 1 73 . 1 1 8 8 LYS N N 15 119.3 0.2 . 1 . . . . 8 LYS N . 15055 1 74 . 1 1 9 9 SER H H 1 7.96 0.02 . 1 . . . . 9 SER H . 15055 1 75 . 1 1 9 9 SER HA H 1 4.13 0.02 . 1 . . . . 9 SER HA . 15055 1 76 . 1 1 9 9 SER HB2 H 1 3.97 0.02 . 2 . . . . 9 SER HB2 . 15055 1 77 . 1 1 9 9 SER HB3 H 1 3.92 0.02 . 2 . . . . 9 SER HB3 . 15055 1 78 . 1 1 9 9 SER CA C 13 62.2 0.2 . 1 . . . . 9 SER CA . 15055 1 79 . 1 1 9 9 SER CB C 13 64.1 0.2 . 1 . . . . 9 SER CB . 15055 1 80 . 1 1 9 9 SER N N 15 115.6 0.2 . 1 . . . . 9 SER N . 15055 1 81 . 1 1 10 10 LEU H H 1 7.79 0.02 . 1 . . . . 10 LEU H . 15055 1 82 . 1 1 10 10 LEU HA H 1 4.13 0.02 . 1 . . . . 10 LEU HA . 15055 1 83 . 1 1 10 10 LEU HB2 H 1 2.07 0.02 . 2 . . . . 10 LEU HB2 . 15055 1 84 . 1 1 10 10 LEU HB3 H 1 1.40 0.02 . 2 . . . . 10 LEU HB3 . 15055 1 85 . 1 1 10 10 LEU HG H 1 1.90 0.02 . 1 . . . . 10 LEU HG . 15055 1 86 . 1 1 10 10 LEU HD11 H 1 0.91 0.02 . 1 . . . . 10 LEU HD1 . 15055 1 87 . 1 1 10 10 LEU HD12 H 1 0.91 0.02 . 1 . . . . 10 LEU HD1 . 15055 1 88 . 1 1 10 10 LEU HD13 H 1 0.91 0.02 . 1 . . . . 10 LEU HD1 . 15055 1 89 . 1 1 10 10 LEU HD21 H 1 0.84 0.02 . 1 . . . . 10 LEU HD2 . 15055 1 90 . 1 1 10 10 LEU HD22 H 1 0.84 0.02 . 1 . . . . 10 LEU HD2 . 15055 1 91 . 1 1 10 10 LEU HD23 H 1 0.84 0.02 . 1 . . . . 10 LEU HD2 . 15055 1 92 . 1 1 10 10 LEU C C 13 181.0 0.2 . 1 . . . . 10 LEU C . 15055 1 93 . 1 1 10 10 LEU CA C 13 57.9 0.2 . 1 . . . . 10 LEU CA . 15055 1 94 . 1 1 10 10 LEU CB C 13 41.8 0.2 . 1 . . . . 10 LEU CB . 15055 1 95 . 1 1 10 10 LEU CG C 13 26.9 0.2 . 1 . . . . 10 LEU CG . 15055 1 96 . 1 1 10 10 LEU CD1 C 13 26.8 0.2 . 1 . . . . 10 LEU CD1 . 15055 1 97 . 1 1 10 10 LEU CD2 C 13 22.6 0.2 . 1 . . . . 10 LEU CD2 . 15055 1 98 . 1 1 10 10 LEU N N 15 123.5 0.2 . 1 . . . . 10 LEU N . 15055 1 99 . 1 1 11 11 LEU H H 1 7.98 0.02 . 1 . . . . 11 LEU H . 15055 1 100 . 1 1 11 11 LEU HA H 1 3.89 0.02 . 1 . . . . 11 LEU HA . 15055 1 101 . 1 1 11 11 LEU HB2 H 1 1.35 0.02 . 2 . . . . 11 LEU HB2 . 15055 1 102 . 1 1 11 11 LEU HB3 H 1 2.05 0.02 . 2 . . . . 11 LEU HB3 . 15055 1 103 . 1 1 11 11 LEU HG H 1 1.06 0.02 . 1 . . . . 11 LEU HG . 15055 1 104 . 1 1 11 11 LEU HD11 H 1 0.41 0.02 . 2 . . . . 11 LEU HD1 . 15055 1 105 . 1 1 11 11 LEU HD12 H 1 0.41 0.02 . 2 . . . . 11 LEU HD1 . 15055 1 106 . 1 1 11 11 LEU HD13 H 1 0.41 0.02 . 2 . . . . 11 LEU HD1 . 15055 1 107 . 1 1 11 11 LEU HD21 H 1 0.63 0.02 . 2 . . . . 11 LEU HD2 . 15055 1 108 . 1 1 11 11 LEU HD22 H 1 0.63 0.02 . 2 . . . . 11 LEU HD2 . 15055 1 109 . 1 1 11 11 LEU HD23 H 1 0.63 0.02 . 2 . . . . 11 LEU HD2 . 15055 1 110 . 1 1 11 11 LEU C C 13 178.4 0.2 . 1 . . . . 11 LEU C . 15055 1 111 . 1 1 11 11 LEU CA C 13 57.5 0.2 . 1 . . . . 11 LEU CA . 15055 1 112 . 1 1 11 11 LEU CB C 13 41.5 0.2 . 1 . . . . 11 LEU CB . 15055 1 113 . 1 1 11 11 LEU CG C 13 26.3 0.2 . 1 . . . . 11 LEU CG . 15055 1 114 . 1 1 11 11 LEU CD1 C 13 25.2 0.2 . 2 . . . . 11 LEU CD1 . 15055 1 115 . 1 1 11 11 LEU CD2 C 13 23.5 0.2 . 2 . . . . 11 LEU CD2 . 15055 1 116 . 1 1 11 11 LEU N N 15 120.0 0.2 . 1 . . . . 11 LEU N . 15055 1 117 . 1 1 12 12 LYS H H 1 8.11 0.02 . 1 . . . . 12 LYS H . 15055 1 118 . 1 1 12 12 LYS HA H 1 3.51 0.02 . 1 . . . . 12 LYS HA . 15055 1 119 . 1 1 12 12 LYS HB2 H 1 1.82 0.02 . 2 . . . . 12 LYS HB2 . 15055 1 120 . 1 1 12 12 LYS HB3 H 1 0.97 0.02 . 2 . . . . 12 LYS HB3 . 15055 1 121 . 1 1 12 12 LYS HG2 H 1 0.95 0.02 . 2 . . . . 12 LYS HG2 . 15055 1 122 . 1 1 12 12 LYS HG3 H 1 0.47 0.02 . 2 . . . . 12 LYS HG3 . 15055 1 123 . 1 1 12 12 LYS HD2 H 1 1.10 0.02 . 2 . . . . 12 LYS HD2 . 15055 1 124 . 1 1 12 12 LYS HD3 H 1 1.30 0.02 . 2 . . . . 12 LYS HD3 . 15055 1 125 . 1 1 12 12 LYS HE2 H 1 2.69 0.02 . 2 . . . . 12 LYS HE2 . 15055 1 126 . 1 1 12 12 LYS C C 13 179.3 0.2 . 1 . . . . 12 LYS C . 15055 1 127 . 1 1 12 12 LYS CA C 13 60.0 0.2 . 1 . . . . 12 LYS CA . 15055 1 128 . 1 1 12 12 LYS CB C 13 32.1 0.2 . 1 . . . . 12 LYS CB . 15055 1 129 . 1 1 12 12 LYS CG C 13 24.8 0.2 . 1 . . . . 12 LYS CG . 15055 1 130 . 1 1 12 12 LYS CD C 13 29.7 0.2 . 1 . . . . 12 LYS CD . 15055 1 131 . 1 1 12 12 LYS CE C 13 41.8 0.2 . 1 . . . . 12 LYS CE . 15055 1 132 . 1 1 12 12 LYS N N 15 121.4 0.2 . 1 . . . . 12 LYS N . 15055 1 133 . 1 1 13 13 LYS H H 1 7.28 0.02 . 1 . . . . 13 LYS H . 15055 1 134 . 1 1 13 13 LYS HA H 1 4.04 0.02 . 1 . . . . 13 LYS HA . 15055 1 135 . 1 1 13 13 LYS HB2 H 1 1.93 0.02 . 2 . . . . 13 LYS HB2 . 15055 1 136 . 1 1 13 13 LYS HB3 H 1 1.83 0.02 . 2 . . . . 13 LYS HB3 . 15055 1 137 . 1 1 13 13 LYS HG2 H 1 1.40 0.02 . 2 . . . . 13 LYS HG2 . 15055 1 138 . 1 1 13 13 LYS HD2 H 1 1.62 0.02 . 2 . . . . 13 LYS HD2 . 15055 1 139 . 1 1 13 13 LYS HE2 H 1 2.9 0.02 . 2 . . . . 13 LYS HE2 . 15055 1 140 . 1 1 13 13 LYS C C 13 180.2 0.2 . 1 . . . . 13 LYS C . 15055 1 141 . 1 1 13 13 LYS CA C 13 58.6 0.2 . 1 . . . . 13 LYS CA . 15055 1 142 . 1 1 13 13 LYS CB C 13 31.7 0.2 . 1 . . . . 13 LYS CB . 15055 1 143 . 1 1 13 13 LYS CG C 13 24.6 0.2 . 1 . . . . 13 LYS CG . 15055 1 144 . 1 1 13 13 LYS CD C 13 28.8 0.2 . 1 . . . . 13 LYS CD . 15055 1 145 . 1 1 13 13 LYS CE C 13 42.3 0.2 . 1 . . . . 13 LYS CE . 15055 1 146 . 1 1 13 13 LYS N N 15 117.9 0.2 . 1 . . . . 13 LYS N . 15055 1 147 . 1 1 14 14 HIS H H 1 8.13 0.02 . 1 . . . . 14 HIS H . 15055 1 148 . 1 1 14 14 HIS HA H 1 3.94 0.02 . 1 . . . . 14 HIS HA . 15055 1 149 . 1 1 14 14 HIS HB2 H 1 3.00 0.02 . 2 . . . . 14 HIS HB2 . 15055 1 150 . 1 1 14 14 HIS C C 13 177.3 0.2 . 1 . . . . 14 HIS C . 15055 1 151 . 1 1 14 14 HIS CA C 13 60.1 0.2 . 1 . . . . 14 HIS CA . 15055 1 152 . 1 1 14 14 HIS CB C 13 29.9 0.2 . 1 . . . . 14 HIS CB . 15055 1 153 . 1 1 14 14 HIS N N 15 119.2 0.2 . 1 . . . . 14 HIS N . 15055 1 154 . 1 1 15 15 TYR H H 1 7.94 0.02 . 1 . . . . 15 TYR H . 15055 1 155 . 1 1 15 15 TYR HA H 1 4.26 0.02 . 1 . . . . 15 TYR HA . 15055 1 156 . 1 1 15 15 TYR HB2 H 1 3.71 0.02 . 2 . . . . 15 TYR HB2 . 15055 1 157 . 1 1 15 15 TYR HB3 H 1 2.71 0.02 . 2 . . . . 15 TYR HB3 . 15055 1 158 . 1 1 15 15 TYR HD1 H 1 6.98 0.02 . 3 . . . . 15 TYR HD1 . 15055 1 159 . 1 1 15 15 TYR HE1 H 1 6.38 0.02 . 3 . . . . 15 TYR HE1 . 15055 1 160 . 1 1 15 15 TYR C C 13 176.3 0.2 . 1 . . . . 15 TYR C . 15055 1 161 . 1 1 15 15 TYR CA C 13 60.7 0.2 . 1 . . . . 15 TYR CA . 15055 1 162 . 1 1 15 15 TYR CB C 13 38.0 0.2 . 1 . . . . 15 TYR CB . 15055 1 163 . 1 1 15 15 TYR CD1 C 13 132.9 0.2 . 3 . . . . 15 TYR CD1 . 15055 1 164 . 1 1 15 15 TYR CE1 C 13 118.1 0.2 . 3 . . . . 15 TYR CE1 . 15055 1 165 . 1 1 15 15 TYR N N 15 113.3 0.2 . 1 . . . . 15 TYR N . 15055 1 166 . 1 1 16 16 GLU H H 1 7.10 0.02 . 1 . . . . 16 GLU H . 15055 1 167 . 1 1 16 16 GLU HA H 1 4.19 0.02 . 1 . . . . 16 GLU HA . 15055 1 168 . 1 1 16 16 GLU HB2 H 1 2.22 0.02 . 2 . . . . 16 GLU HB2 . 15055 1 169 . 1 1 16 16 GLU HB3 H 1 2.05 0.02 . 2 . . . . 16 GLU HB3 . 15055 1 170 . 1 1 16 16 GLU C C 13 178.1 0.2 . 1 . . . . 16 GLU C . 15055 1 171 . 1 1 16 16 GLU CA C 13 60.0 0.2 . 1 . . . . 16 GLU CA . 15055 1 172 . 1 1 16 16 GLU CB C 13 29.9 0.2 . 1 . . . . 16 GLU CB . 15055 1 173 . 1 1 16 16 GLU N N 15 120.7 0.2 . 1 . . . . 16 GLU N . 15055 1 174 . 1 1 17 17 LYS H H 1 8.24 0.02 . 1 . . . . 17 LYS H . 15055 1 175 . 1 1 17 17 LYS HA H 1 4.25 0.02 . 1 . . . . 17 LYS HA . 15055 1 176 . 1 1 17 17 LYS HB2 H 1 1.91 0.02 . 2 . . . . 17 LYS HB2 . 15055 1 177 . 1 1 17 17 LYS HB3 H 1 1.68 0.02 . 2 . . . . 17 LYS HB3 . 15055 1 178 . 1 1 17 17 LYS HG2 H 1 1.42 0.02 . 2 . . . . 17 LYS HG2 . 15055 1 179 . 1 1 17 17 LYS HG3 H 1 1.36 0.02 . 2 . . . . 17 LYS HG3 . 15055 1 180 . 1 1 17 17 LYS HD2 H 1 1.63 0.02 . 2 . . . . 17 LYS HD2 . 15055 1 181 . 1 1 17 17 LYS HD3 H 1 1.58 0.02 . 2 . . . . 17 LYS HD3 . 15055 1 182 . 1 1 17 17 LYS HE2 H 1 2.88 0.02 . 2 . . . . 17 LYS HE2 . 15055 1 183 . 1 1 17 17 LYS CA C 13 56.9 0.2 . 1 . . . . 17 LYS CA . 15055 1 184 . 1 1 17 17 LYS CB C 13 31.8 0.2 . 1 . . . . 17 LYS CB . 15055 1 185 . 1 1 17 17 LYS CG C 13 25.4 0.2 . 1 . . . . 17 LYS CG . 15055 1 186 . 1 1 17 17 LYS CD C 13 29.0 0.2 . 1 . . . . 17 LYS CD . 15055 1 187 . 1 1 17 17 LYS CE C 13 42.3 0.2 . 1 . . . . 17 LYS CE . 15055 1 188 . 1 1 17 17 LYS N N 15 115.0 0.2 . 1 . . . . 17 LYS N . 15055 1 189 . 1 1 18 18 THR H H 1 8.33 0.02 . 1 . . . . 18 THR H . 15055 1 190 . 1 1 18 18 THR HA H 1 4.43 0.02 . 1 . . . . 18 THR HA . 15055 1 191 . 1 1 18 18 THR HB H 1 4.47 0.02 . 1 . . . . 18 THR HB . 15055 1 192 . 1 1 18 18 THR HG21 H 1 1.29 0.02 . 1 . . . . 18 THR HG2 . 15055 1 193 . 1 1 18 18 THR HG22 H 1 1.29 0.02 . 1 . . . . 18 THR HG2 . 15055 1 194 . 1 1 18 18 THR HG23 H 1 1.29 0.02 . 1 . . . . 18 THR HG2 . 15055 1 195 . 1 1 18 18 THR C C 13 174.8 0.2 . 1 . . . . 18 THR C . 15055 1 196 . 1 1 18 18 THR CA C 13 61.1 0.2 . 1 . . . . 18 THR CA . 15055 1 197 . 1 1 18 18 THR CB C 13 68.6 0.2 . 1 . . . . 18 THR CB . 15055 1 198 . 1 1 18 18 THR CG2 C 13 21.8 0.2 . 1 . . . . 18 THR CG2 . 15055 1 199 . 1 1 18 18 THR N N 15 119.9 0.2 . 1 . . . . 18 THR N . 15055 1 200 . 1 1 19 19 ILE H H 1 8.13 0.02 . 1 . . . . 19 ILE H . 15055 1 201 . 1 1 19 19 ILE HA H 1 3.78 0.02 . 1 . . . . 19 ILE HA . 15055 1 202 . 1 1 19 19 ILE HB H 1 1.85 0.02 . 1 . . . . 19 ILE HB . 15055 1 203 . 1 1 19 19 ILE HG12 H 1 1.32 0.02 . 2 . . . . 19 ILE HG12 . 15055 1 204 . 1 1 19 19 ILE HG13 H 1 1.55 0.02 . 2 . . . . 19 ILE HG13 . 15055 1 205 . 1 1 19 19 ILE HG21 H 1 0.90 0.02 . 1 . . . . 19 ILE HG2 . 15055 1 206 . 1 1 19 19 ILE HG22 H 1 0.90 0.02 . 1 . . . . 19 ILE HG2 . 15055 1 207 . 1 1 19 19 ILE HG23 H 1 0.90 0.02 . 1 . . . . 19 ILE HG2 . 15055 1 208 . 1 1 19 19 ILE HD11 H 1 0.92 0.02 . 1 . . . . 19 ILE HD1 . 15055 1 209 . 1 1 19 19 ILE HD12 H 1 0.92 0.02 . 1 . . . . 19 ILE HD1 . 15055 1 210 . 1 1 19 19 ILE HD13 H 1 0.92 0.02 . 1 . . . . 19 ILE HD1 . 15055 1 211 . 1 1 19 19 ILE C C 13 178.7 0.2 . 1 . . . . 19 ILE C . 15055 1 212 . 1 1 19 19 ILE CA C 13 63.1 0.2 . 1 . . . . 19 ILE CA . 15055 1 213 . 1 1 19 19 ILE CB C 13 36.9 0.2 . 1 . . . . 19 ILE CB . 15055 1 214 . 1 1 19 19 ILE CG1 C 13 28.1 0.2 . 1 . . . . 19 ILE CG1 . 15055 1 215 . 1 1 19 19 ILE CG2 C 13 17.2 0.2 . 1 . . . . 19 ILE CG2 . 15055 1 216 . 1 1 19 19 ILE CD1 C 13 11.6 0.2 . 1 . . . . 19 ILE CD1 . 15055 1 217 . 1 1 19 19 ILE N N 15 126.3 0.2 . 1 . . . . 19 ILE N . 15055 1 218 . 1 1 20 20 GLY H H 1 8.92 0.02 . 1 . . . . 20 GLY H . 15055 1 219 . 1 1 20 20 GLY HA2 H 1 4.15 0.02 . 2 . . . . 20 GLY HA2 . 15055 1 220 . 1 1 20 20 GLY HA3 H 1 3.79 0.02 . 2 . . . . 20 GLY HA3 . 15055 1 221 . 1 1 20 20 GLY C C 13 174.5 0.2 . 1 . . . . 20 GLY C . 15055 1 222 . 1 1 20 20 GLY CA C 13 46.3 0.2 . 1 . . . . 20 GLY CA . 15055 1 223 . 1 1 20 20 GLY N N 15 116.1 0.2 . 1 . . . . 20 GLY N . 15055 1 224 . 1 1 21 21 PHE H H 1 7.66 0.02 . 1 . . . . 21 PHE H . 15055 1 225 . 1 1 21 21 PHE HA H 1 4.00 0.02 . 1 . . . . 21 PHE HA . 15055 1 226 . 1 1 21 21 PHE HB2 H 1 3.12 0.02 . 2 . . . . 21 PHE HB2 . 15055 1 227 . 1 1 21 21 PHE HB3 H 1 3.04 0.02 . 2 . . . . 21 PHE HB3 . 15055 1 228 . 1 1 21 21 PHE HD1 H 1 6.87 0.02 . 3 . . . . 21 PHE HD1 . 15055 1 229 . 1 1 21 21 PHE HE1 H 1 6.53 0.02 . 3 . . . . 21 PHE HE1 . 15055 1 230 . 1 1 21 21 PHE HZ H 1 6.63 0.02 . 1 . . . . 21 PHE HZ . 15055 1 231 . 1 1 21 21 PHE C C 13 177.2 0.2 . 1 . . . . 21 PHE C . 15055 1 232 . 1 1 21 21 PHE CA C 13 62.4 0.2 . 1 . . . . 21 PHE CA . 15055 1 233 . 1 1 21 21 PHE CB C 13 40.9 0.2 . 1 . . . . 21 PHE CB . 15055 1 234 . 1 1 21 21 PHE CD1 C 13 131.1 0.2 . 3 . . . . 21 PHE CD1 . 15055 1 235 . 1 1 21 21 PHE CE1 C 13 130.6 0.2 . 3 . . . . 21 PHE CE1 . 15055 1 236 . 1 1 21 21 PHE N N 15 122.8 0.2 . 1 . . . . 21 PHE N . 15055 1 237 . 1 1 22 22 HIS H H 1 9.42 0.02 . 1 . . . . 22 HIS H . 15055 1 238 . 1 1 22 22 HIS HA H 1 3.88 0.02 . 1 . . . . 22 HIS HA . 15055 1 239 . 1 1 22 22 HIS HB2 H 1 3.22 0.02 . 2 . . . . 22 HIS HB2 . 15055 1 240 . 1 1 22 22 HIS HB3 H 1 3.12 0.02 . 2 . . . . 22 HIS HB3 . 15055 1 241 . 1 1 22 22 HIS C C 13 178.5 0.2 . 1 . . . . 22 HIS C . 15055 1 242 . 1 1 22 22 HIS CA C 13 60.7 0.2 . 1 . . . . 22 HIS CA . 15055 1 243 . 1 1 22 22 HIS CB C 13 30.8 0.2 . 1 . . . . 22 HIS CB . 15055 1 244 . 1 1 22 22 HIS N N 15 118.9 0.2 . 1 . . . . 22 HIS N . 15055 1 245 . 1 1 23 23 ASP H H 1 8.99 0.02 . 1 . . . . 23 ASP H . 15055 1 246 . 1 1 23 23 ASP HA H 1 4.08 0.02 . 1 . . . . 23 ASP HA . 15055 1 247 . 1 1 23 23 ASP HB2 H 1 2.47 0.02 . 2 . . . . 23 ASP HB2 . 15055 1 248 . 1 1 23 23 ASP C C 13 177.7 0.2 . 1 . . . . 23 ASP C . 15055 1 249 . 1 1 23 23 ASP CA C 13 57.6 0.2 . 1 . . . . 23 ASP CA . 15055 1 250 . 1 1 23 23 ASP CB C 13 40.4 0.2 . 1 . . . . 23 ASP CB . 15055 1 251 . 1 1 23 23 ASP N N 15 120.3 0.2 . 1 . . . . 23 ASP N . 15055 1 252 . 1 1 24 24 LYS H H 1 7.70 0.02 . 1 . . . . 24 LYS H . 15055 1 253 . 1 1 24 24 LYS HA H 1 3.65 0.02 . 1 . . . . 24 LYS HA . 15055 1 254 . 1 1 24 24 LYS HB2 H 1 0.94 0.02 . 2 . . . . 24 LYS HB2 . 15055 1 255 . 1 1 24 24 LYS HB3 H 1 0.54 0.02 . 2 . . . . 24 LYS HB3 . 15055 1 256 . 1 1 24 24 LYS HG2 H 1 0.60 0.02 . 2 . . . . 24 LYS HG2 . 15055 1 257 . 1 1 24 24 LYS HG3 H 1 1.00 0.02 . 2 . . . . 24 LYS HG3 . 15055 1 258 . 1 1 24 24 LYS HD2 H 1 1.23 0.02 . 2 . . . . 24 LYS HD2 . 15055 1 259 . 1 1 24 24 LYS HE2 H 1 2.72 0.02 . 2 . . . . 24 LYS HE2 . 15055 1 260 . 1 1 24 24 LYS C C 13 178.4 0.2 . 1 . . . . 24 LYS C . 15055 1 261 . 1 1 24 24 LYS CA C 13 58.9 0.2 . 1 . . . . 24 LYS CA . 15055 1 262 . 1 1 24 24 LYS CB C 13 32.6 0.2 . 1 . . . . 24 LYS CB . 15055 1 263 . 1 1 24 24 LYS CG C 13 25.4 0.2 . 1 . . . . 24 LYS CG . 15055 1 264 . 1 1 24 24 LYS CD C 13 29.6 0.2 . 1 . . . . 24 LYS CD . 15055 1 265 . 1 1 24 24 LYS CE C 13 42.4 0.2 . 1 . . . . 24 LYS CE . 15055 1 266 . 1 1 24 24 LYS N N 15 116.8 0.2 . 1 . . . . 24 LYS N . 15055 1 267 . 1 1 25 25 TYR H H 1 7.33 0.02 . 1 . . . . 25 TYR H . 15055 1 268 . 1 1 25 25 TYR HA H 1 4.72 0.02 . 1 . . . . 25 TYR HA . 15055 1 269 . 1 1 25 25 TYR HB2 H 1 2.51 0.02 . 2 . . . . 25 TYR HB2 . 15055 1 270 . 1 1 25 25 TYR HB3 H 1 1.81 0.02 . 2 . . . . 25 TYR HB3 . 15055 1 271 . 1 1 25 25 TYR HD1 H 1 6.23 0.02 . 3 . . . . 25 TYR HD1 . 15055 1 272 . 1 1 25 25 TYR HE1 H 1 6.68 0.02 . 3 . . . . 25 TYR HE1 . 15055 1 273 . 1 1 25 25 TYR C C 13 175.6 0.2 . 1 . . . . 25 TYR C . 15055 1 274 . 1 1 25 25 TYR CA C 13 57.9 0.2 . 1 . . . . 25 TYR CA . 15055 1 275 . 1 1 25 25 TYR CB C 13 41.2 0.2 . 1 . . . . 25 TYR CB . 15055 1 276 . 1 1 25 25 TYR CD1 C 13 133.7 0.2 . 3 . . . . 25 TYR CD1 . 15055 1 277 . 1 1 25 25 TYR CE1 C 13 117.5 0.2 . 3 . . . . 25 TYR CE1 . 15055 1 278 . 1 1 25 25 TYR N N 15 112.5 0.2 . 1 . . . . 25 TYR N . 15055 1 279 . 1 1 26 26 ILE H H 1 7.62 0.02 . 1 . . . . 26 ILE H . 15055 1 280 . 1 1 26 26 ILE HA H 1 4.06 0.02 . 1 . . . . 26 ILE HA . 15055 1 281 . 1 1 26 26 ILE HB H 1 1.48 0.02 . 1 . . . . 26 ILE HB . 15055 1 282 . 1 1 26 26 ILE HG12 H 1 1.36 0.02 . 2 . . . . 26 ILE HG12 . 15055 1 283 . 1 1 26 26 ILE HG13 H 1 0.81 0.02 . 2 . . . . 26 ILE HG13 . 15055 1 284 . 1 1 26 26 ILE HG21 H 1 0.68 0.02 . 1 . . . . 26 ILE HG2 . 15055 1 285 . 1 1 26 26 ILE HG22 H 1 0.68 0.02 . 1 . . . . 26 ILE HG2 . 15055 1 286 . 1 1 26 26 ILE HG23 H 1 0.68 0.02 . 1 . . . . 26 ILE HG2 . 15055 1 287 . 1 1 26 26 ILE HD11 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 15055 1 288 . 1 1 26 26 ILE HD12 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 15055 1 289 . 1 1 26 26 ILE HD13 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 15055 1 290 . 1 1 26 26 ILE C C 13 177.0 0.2 . 1 . . . . 26 ILE C . 15055 1 291 . 1 1 26 26 ILE CA C 13 61.1 0.2 . 1 . . . . 26 ILE CA . 15055 1 292 . 1 1 26 26 ILE CB C 13 37.8 0.2 . 1 . . . . 26 ILE CB . 15055 1 293 . 1 1 26 26 ILE CG1 C 13 27.5 0.2 . 1 . . . . 26 ILE CG1 . 15055 1 294 . 1 1 26 26 ILE CG2 C 13 18.7 0.2 . 1 . . . . 26 ILE CG2 . 15055 1 295 . 1 1 26 26 ILE CD1 C 13 12.9 0.2 . 1 . . . . 26 ILE CD1 . 15055 1 296 . 1 1 26 26 ILE N N 15 115.7 0.2 . 1 . . . . 26 ILE N . 15055 1 297 . 1 1 27 27 LYS H H 1 7.50 0.02 . 1 . . . . 27 LYS H . 15055 1 298 . 1 1 27 27 LYS HA H 1 3.49 0.02 . 1 . . . . 27 LYS HA . 15055 1 299 . 1 1 27 27 LYS HB2 H 1 1.51 0.02 . 2 . . . . 27 LYS HB2 . 15055 1 300 . 1 1 27 27 LYS HG2 H 1 1.32 0.02 . 2 . . . . 27 LYS HG2 . 15055 1 301 . 1 1 27 27 LYS HD2 H 1 1.65 0.02 . 2 . . . . 27 LYS HD2 . 15055 1 302 . 1 1 27 27 LYS HE2 H 1 2.97 0.02 . 2 . . . . 27 LYS HE2 . 15055 1 303 . 1 1 27 27 LYS C C 13 177.9 0.2 . 1 . . . . 27 LYS C . 15055 1 304 . 1 1 27 27 LYS CA C 13 60.4 0.2 . 1 . . . . 27 LYS CA . 15055 1 305 . 1 1 27 27 LYS CB C 13 32.8 0.2 . 1 . . . . 27 LYS CB . 15055 1 306 . 1 1 27 27 LYS CG C 13 23.5 0.2 . 1 . . . . 27 LYS CG . 15055 1 307 . 1 1 27 27 LYS CD C 13 29.6 0.2 . 1 . . . . 27 LYS CD . 15055 1 308 . 1 1 27 27 LYS CE C 13 41.7 0.2 . 1 . . . . 27 LYS CE . 15055 1 309 . 1 1 27 27 LYS N N 15 119.8 0.2 . 1 . . . . 27 LYS N . 15055 1 310 . 1 1 28 28 ASP H H 1 8.39 0.02 . 1 . . . . 28 ASP H . 15055 1 311 . 1 1 28 28 ASP HA H 1 4.72 0.02 . 1 . . . . 28 ASP HA . 15055 1 312 . 1 1 28 28 ASP HB2 H 1 2.79 0.02 . 2 . . . . 28 ASP HB2 . 15055 1 313 . 1 1 28 28 ASP HB3 H 1 2.39 0.02 . 2 . . . . 28 ASP HB3 . 15055 1 314 . 1 1 28 28 ASP C C 13 177.0 0.2 . 1 . . . . 28 ASP C . 15055 1 315 . 1 1 28 28 ASP CA C 13 54.5 0.2 . 1 . . . . 28 ASP CA . 15055 1 316 . 1 1 28 28 ASP CB C 13 40.8 0.2 . 1 . . . . 28 ASP CB . 15055 1 317 . 1 1 28 28 ASP N N 15 116.1 0.2 . 1 . . . . 28 ASP N . 15055 1 318 . 1 1 29 29 ILE H H 1 7.67 0.02 . 1 . . . . 29 ILE H . 15055 1 319 . 1 1 29 29 ILE HA H 1 3.95 0.02 . 1 . . . . 29 ILE HA . 15055 1 320 . 1 1 29 29 ILE HB H 1 1.90 0.02 . 1 . . . . 29 ILE HB . 15055 1 321 . 1 1 29 29 ILE HG12 H 1 1.95 0.02 . 2 . . . . 29 ILE HG12 . 15055 1 322 . 1 1 29 29 ILE HG13 H 1 1.35 0.02 . 2 . . . . 29 ILE HG13 . 15055 1 323 . 1 1 29 29 ILE HG21 H 1 1.20 0.02 . 1 . . . . 29 ILE HG2 . 15055 1 324 . 1 1 29 29 ILE HG22 H 1 1.20 0.02 . 1 . . . . 29 ILE HG2 . 15055 1 325 . 1 1 29 29 ILE HG23 H 1 1.20 0.02 . 1 . . . . 29 ILE HG2 . 15055 1 326 . 1 1 29 29 ILE HD11 H 1 1.11 0.02 . 1 . . . . 29 ILE HD1 . 15055 1 327 . 1 1 29 29 ILE HD12 H 1 1.11 0.02 . 1 . . . . 29 ILE HD1 . 15055 1 328 . 1 1 29 29 ILE HD13 H 1 1.11 0.02 . 1 . . . . 29 ILE HD1 . 15055 1 329 . 1 1 29 29 ILE C C 13 177.3 0.2 . 1 . . . . 29 ILE C . 15055 1 330 . 1 1 29 29 ILE CA C 13 64.6 0.2 . 1 . . . . 29 ILE CA . 15055 1 331 . 1 1 29 29 ILE CB C 13 38.7 0.2 . 1 . . . . 29 ILE CB . 15055 1 332 . 1 1 29 29 ILE CG1 C 13 27.9 0.2 . 1 . . . . 29 ILE CG1 . 15055 1 333 . 1 1 29 29 ILE CG2 C 13 18.8 0.2 . 1 . . . . 29 ILE CG2 . 15055 1 334 . 1 1 29 29 ILE CD1 C 13 15.4 0.2 . 1 . . . . 29 ILE CD1 . 15055 1 335 . 1 1 29 29 ILE N N 15 120.5 0.2 . 1 . . . . 29 ILE N . 15055 1 336 . 1 1 30 30 ASN H H 1 8.95 0.02 . 1 . . . . 30 ASN H . 15055 1 337 . 1 1 30 30 ASN HA H 1 5.08 0.02 . 1 . . . . 30 ASN HA . 15055 1 338 . 1 1 30 30 ASN HB2 H 1 2.92 0.02 . 2 . . . . 30 ASN HB2 . 15055 1 339 . 1 1 30 30 ASN HB3 H 1 2.75 0.02 . 2 . . . . 30 ASN HB3 . 15055 1 340 . 1 1 30 30 ASN C C 13 174.0 0.2 . 1 . . . . 30 ASN C . 15055 1 341 . 1 1 30 30 ASN CA C 13 53.3 0.2 . 1 . . . . 30 ASN CA . 15055 1 342 . 1 1 30 30 ASN CB C 13 40.6 0.2 . 1 . . . . 30 ASN CB . 15055 1 343 . 1 1 30 30 ASN N N 15 124.2 0.2 . 1 . . . . 30 ASN N . 15055 1 344 . 1 1 31 31 ARG H H 1 8.16 0.02 . 1 . . . . 31 ARG H . 15055 1 345 . 1 1 31 31 ARG HA H 1 4.55 0.02 . 1 . . . . 31 ARG HA . 15055 1 346 . 1 1 31 31 ARG HB2 H 1 1.51 0.02 . 2 . . . . 31 ARG HB2 . 15055 1 347 . 1 1 31 31 ARG HB3 H 1 1.33 0.02 . 2 . . . . 31 ARG HB3 . 15055 1 348 . 1 1 31 31 ARG HG2 H 1 1.32 0.02 . 2 . . . . 31 ARG HG2 . 15055 1 349 . 1 1 31 31 ARG HD2 H 1 2.93 0.02 . 2 . . . . 31 ARG HD2 . 15055 1 350 . 1 1 31 31 ARG C C 13 172.7 0.2 . 1 . . . . 31 ARG C . 15055 1 351 . 1 1 31 31 ARG CA C 13 55.6 0.2 . 1 . . . . 31 ARG CA . 15055 1 352 . 1 1 31 31 ARG CB C 13 31.3 0.2 . 1 . . . . 31 ARG CB . 15055 1 353 . 1 1 31 31 ARG CG C 13 26.6 0.2 . 1 . . . . 31 ARG CG . 15055 1 354 . 1 1 31 31 ARG CD C 13 43.2 0.2 . 1 . . . . 31 ARG CD . 15055 1 355 . 1 1 31 31 ARG N N 15 121.8 0.2 . 1 . . . . 31 ARG N . 15055 1 356 . 1 1 32 32 PHE H H 1 7.37 0.02 . 1 . . . . 32 PHE H . 15055 1 357 . 1 1 32 32 PHE HA H 1 5.54 0.02 . 1 . . . . 32 PHE HA . 15055 1 358 . 1 1 32 32 PHE HB2 H 1 2.46 0.02 . 2 . . . . 32 PHE HB2 . 15055 1 359 . 1 1 32 32 PHE HB3 H 1 2.34 0.02 . 2 . . . . 32 PHE HB3 . 15055 1 360 . 1 1 32 32 PHE HD1 H 1 6.08 0.02 . 3 . . . . 32 PHE HD1 . 15055 1 361 . 1 1 32 32 PHE C C 13 180.2 0.2 . 1 . . . . 32 PHE C . 15055 1 362 . 1 1 32 32 PHE CA C 13 55.2 0.2 . 1 . . . . 32 PHE CA . 15055 1 363 . 1 1 32 32 PHE CB C 13 42.1 0.2 . 1 . . . . 32 PHE CB . 15055 1 364 . 1 1 32 32 PHE CD1 C 13 131.6 0.2 . 3 . . . . 32 PHE CD1 . 15055 1 365 . 1 1 32 32 PHE N N 15 119.2 0.2 . 1 . . . . 32 PHE N . 15055 1 366 . 1 1 33 33 VAL H H 1 9.14 0.02 . 1 . . . . 33 VAL H . 15055 1 367 . 1 1 33 33 VAL HA H 1 4.09 0.02 . 1 . . . . 33 VAL HA . 15055 1 368 . 1 1 33 33 VAL HB H 1 1.77 0.02 . 1 . . . . 33 VAL HB . 15055 1 369 . 1 1 33 33 VAL HG11 H 1 0.69 0.02 . 2 . . . . 33 VAL HG1 . 15055 1 370 . 1 1 33 33 VAL HG12 H 1 0.69 0.02 . 2 . . . . 33 VAL HG1 . 15055 1 371 . 1 1 33 33 VAL HG13 H 1 0.69 0.02 . 2 . . . . 33 VAL HG1 . 15055 1 372 . 1 1 33 33 VAL CA C 13 61.6 0.2 . 1 . . . . 33 VAL CA . 15055 1 373 . 1 1 33 33 VAL CB C 13 35.7 0.2 . 1 . . . . 33 VAL CB . 15055 1 374 . 1 1 33 33 VAL CG1 C 13 21.5 0.2 . 2 . . . . 33 VAL CG1 . 15055 1 375 . 1 1 33 33 VAL N N 15 117.8 0.2 . 1 . . . . 33 VAL N . 15055 1 376 . 1 1 34 34 PHE H H 1 8.74 0.02 . 1 . . . . 34 PHE H . 15055 1 377 . 1 1 34 34 PHE HA H 1 5.78 0.02 . 1 . . . . 34 PHE HA . 15055 1 378 . 1 1 34 34 PHE HB2 H 1 3.20 0.02 . 2 . . . . 34 PHE HB2 . 15055 1 379 . 1 1 34 34 PHE HB3 H 1 2.72 0.02 . 2 . . . . 34 PHE HB3 . 15055 1 380 . 1 1 34 34 PHE HD1 H 1 7.05 0.02 . 3 . . . . 34 PHE HD1 . 15055 1 381 . 1 1 34 34 PHE C C 13 174.3 0.2 . 1 . . . . 34 PHE C . 15055 1 382 . 1 1 34 34 PHE CA C 13 55.0 0.2 . 1 . . . . 34 PHE CA . 15055 1 383 . 1 1 34 34 PHE CB C 13 40.4 0.2 . 1 . . . . 34 PHE CB . 15055 1 384 . 1 1 34 34 PHE CD1 C 13 132.5 0.2 . 3 . . . . 34 PHE CD1 . 15055 1 385 . 1 1 34 34 PHE N N 15 127.4 0.2 . 1 . . . . 34 PHE N . 15055 1 386 . 1 1 35 35 LYS H H 1 8.34 0.02 . 1 . . . . 35 LYS H . 15055 1 387 . 1 1 35 35 LYS HA H 1 4.19 0.02 . 1 . . . . 35 LYS HA . 15055 1 388 . 1 1 35 35 LYS HB2 H 1 1.45 0.02 . 2 . . . . 35 LYS HB2 . 15055 1 389 . 1 1 35 35 LYS HG2 H 1 1.18 0.02 . 2 . . . . 35 LYS HG2 . 15055 1 390 . 1 1 35 35 LYS HD2 H 1 1.43 0.02 . 2 . . . . 35 LYS HD2 . 15055 1 391 . 1 1 35 35 LYS HE2 H 1 2.80 0.02 . 2 . . . . 35 LYS HE2 . 15055 1 392 . 1 1 35 35 LYS C C 13 175.2 0.2 . 1 . . . . 35 LYS C . 15055 1 393 . 1 1 35 35 LYS CA C 13 55.1 0.2 . 1 . . . . 35 LYS CA . 15055 1 394 . 1 1 35 35 LYS CB C 13 36.1 0.2 . 1 . . . . 35 LYS CB . 15055 1 395 . 1 1 35 35 LYS CG C 13 24.9 0.2 . 1 . . . . 35 LYS CG . 15055 1 396 . 1 1 35 35 LYS CD C 13 29.4 0.2 . 1 . . . . 35 LYS CD . 15055 1 397 . 1 1 35 35 LYS CE C 13 41.9 0.2 . 1 . . . . 35 LYS CE . 15055 1 398 . 1 1 35 35 LYS N N 15 127.0 0.2 . 1 . . . . 35 LYS N . 15055 1 399 . 1 1 36 36 ASN H H 1 9.08 0.02 . 1 . . . . 36 ASN H . 15055 1 400 . 1 1 36 36 ASN HA H 1 4.12 0.02 . 1 . . . . 36 ASN HA . 15055 1 401 . 1 1 36 36 ASN HB2 H 1 2.89 0.02 . 2 . . . . 36 ASN HB2 . 15055 1 402 . 1 1 36 36 ASN HB3 H 1 2.54 0.02 . 2 . . . . 36 ASN HB3 . 15055 1 403 . 1 1 36 36 ASN CA C 13 54.2 0.2 . 1 . . . . 36 ASN CA . 15055 1 404 . 1 1 36 36 ASN CB C 13 37.2 0.2 . 1 . . . . 36 ASN CB . 15055 1 405 . 1 1 36 36 ASN N N 15 123.9 0.2 . 1 . . . . 36 ASN N . 15055 1 406 . 1 1 37 37 ASN H H 1 8.21 0.02 . 1 . . . . 37 ASN H . 15055 1 407 . 1 1 37 37 ASN HA H 1 3.77 0.02 . 1 . . . . 37 ASN HA . 15055 1 408 . 1 1 37 37 ASN HB2 H 1 3.15 0.02 . 2 . . . . 37 ASN HB2 . 15055 1 409 . 1 1 37 37 ASN HB3 H 1 3.00 0.02 . 2 . . . . 37 ASN HB3 . 15055 1 410 . 1 1 37 37 ASN C C 13 172.9 0.2 . 1 . . . . 37 ASN C . 15055 1 411 . 1 1 37 37 ASN CA C 13 55.2 0.2 . 1 . . . . 37 ASN CA . 15055 1 412 . 1 1 37 37 ASN CB C 13 37.2 0.2 . 1 . . . . 37 ASN CB . 15055 1 413 . 1 1 37 37 ASN N N 15 105.8 0.2 . 1 . . . . 37 ASN N . 15055 1 414 . 1 1 38 38 VAL H H 1 7.62 0.02 . 1 . . . . 38 VAL H . 15055 1 415 . 1 1 38 38 VAL HA H 1 4.48 0.02 . 1 . . . . 38 VAL HA . 15055 1 416 . 1 1 38 38 VAL HB H 1 2.03 0.02 . 1 . . . . 38 VAL HB . 15055 1 417 . 1 1 38 38 VAL HG11 H 1 0.67 0.02 . 1 . . . . 38 VAL HG1 . 15055 1 418 . 1 1 38 38 VAL HG12 H 1 0.67 0.02 . 1 . . . . 38 VAL HG1 . 15055 1 419 . 1 1 38 38 VAL HG13 H 1 0.67 0.02 . 1 . . . . 38 VAL HG1 . 15055 1 420 . 1 1 38 38 VAL HG21 H 1 0.78 0.02 . 1 . . . . 38 VAL HG2 . 15055 1 421 . 1 1 38 38 VAL HG22 H 1 0.78 0.02 . 1 . . . . 38 VAL HG2 . 15055 1 422 . 1 1 38 38 VAL HG23 H 1 0.78 0.02 . 1 . . . . 38 VAL HG2 . 15055 1 423 . 1 1 38 38 VAL C C 13 174.0 0.2 . 1 . . . . 38 VAL C . 15055 1 424 . 1 1 38 38 VAL CA C 13 61.5 0.2 . 1 . . . . 38 VAL CA . 15055 1 425 . 1 1 38 38 VAL CB C 13 34.2 0.2 . 1 . . . . 38 VAL CB . 15055 1 426 . 1 1 38 38 VAL CG1 C 13 20.3 0.2 . 1 . . . . 38 VAL CG1 . 15055 1 427 . 1 1 38 38 VAL CG2 C 13 21.0 0.2 . 1 . . . . 38 VAL CG2 . 15055 1 428 . 1 1 38 38 VAL N N 15 121.8 0.2 . 1 . . . . 38 VAL N . 15055 1 429 . 1 1 39 39 LEU H H 1 8.15 0.02 . 1 . . . . 39 LEU H . 15055 1 430 . 1 1 39 39 LEU HA H 1 5.08 0.02 . 1 . . . . 39 LEU HA . 15055 1 431 . 1 1 39 39 LEU HB2 H 1 1.64 0.02 . 2 . . . . 39 LEU HB2 . 15055 1 432 . 1 1 39 39 LEU HB3 H 1 0.68 0.02 . 2 . . . . 39 LEU HB3 . 15055 1 433 . 1 1 39 39 LEU HG H 1 1.04 0.02 . 1 . . . . 39 LEU HG . 15055 1 434 . 1 1 39 39 LEU HD11 H 1 0.43 0.02 . 1 . . . . 39 LEU HD1 . 15055 1 435 . 1 1 39 39 LEU HD12 H 1 0.43 0.02 . 1 . . . . 39 LEU HD1 . 15055 1 436 . 1 1 39 39 LEU HD13 H 1 0.43 0.02 . 1 . . . . 39 LEU HD1 . 15055 1 437 . 1 1 39 39 LEU HD21 H 1 -0.19 0.02 . 1 . . . . 39 LEU HD2 . 15055 1 438 . 1 1 39 39 LEU HD22 H 1 -0.19 0.02 . 1 . . . . 39 LEU HD2 . 15055 1 439 . 1 1 39 39 LEU HD23 H 1 -0.19 0.02 . 1 . . . . 39 LEU HD2 . 15055 1 440 . 1 1 39 39 LEU C C 13 173.0 0.2 . 1 . . . . 39 LEU C . 15055 1 441 . 1 1 39 39 LEU CA C 13 53.3 0.2 . 1 . . . . 39 LEU CA . 15055 1 442 . 1 1 39 39 LEU CB C 13 44.8 0.2 . 1 . . . . 39 LEU CB . 15055 1 443 . 1 1 39 39 LEU CG C 13 26.6 0.2 . 1 . . . . 39 LEU CG . 15055 1 444 . 1 1 39 39 LEU CD1 C 13 22.4 0.2 . 1 . . . . 39 LEU CD1 . 15055 1 445 . 1 1 39 39 LEU CD2 C 13 25.6 0.2 . 1 . . . . 39 LEU CD2 . 15055 1 446 . 1 1 39 39 LEU N N 15 128.1 0.2 . 1 . . . . 39 LEU N . 15055 1 447 . 1 1 40 40 LEU H H 1 8.97 0.02 . 1 . . . . 40 LEU H . 15055 1 448 . 1 1 40 40 LEU HA H 1 4.97 0.02 . 1 . . . . 40 LEU HA . 15055 1 449 . 1 1 40 40 LEU HB2 H 1 1.35 0.02 . 2 . . . . 40 LEU HB2 . 15055 1 450 . 1 1 40 40 LEU HB3 H 1 1.51 0.02 . 2 . . . . 40 LEU HB3 . 15055 1 451 . 1 1 40 40 LEU HG H 1 1.45 0.02 . 1 . . . . 40 LEU HG . 15055 1 452 . 1 1 40 40 LEU HD11 H 1 0.67 0.02 . 1 . . . . 40 LEU HD1 . 15055 1 453 . 1 1 40 40 LEU HD12 H 1 0.67 0.02 . 1 . . . . 40 LEU HD1 . 15055 1 454 . 1 1 40 40 LEU HD13 H 1 0.67 0.02 . 1 . . . . 40 LEU HD1 . 15055 1 455 . 1 1 40 40 LEU HD21 H 1 0.52 0.02 . 1 . . . . 40 LEU HD2 . 15055 1 456 . 1 1 40 40 LEU HD22 H 1 0.52 0.02 . 1 . . . . 40 LEU HD2 . 15055 1 457 . 1 1 40 40 LEU HD23 H 1 0.52 0.02 . 1 . . . . 40 LEU HD2 . 15055 1 458 . 1 1 40 40 LEU C C 13 176.3 0.2 . 1 . . . . 40 LEU C . 15055 1 459 . 1 1 40 40 LEU CA C 13 53.3 0.2 . 1 . . . . 40 LEU CA . 15055 1 460 . 1 1 40 40 LEU CB C 13 44.9 0.2 . 1 . . . . 40 LEU CB . 15055 1 461 . 1 1 40 40 LEU CG C 13 26.8 0.2 . 1 . . . . 40 LEU CG . 15055 1 462 . 1 1 40 40 LEU CD1 C 13 25.5 0.2 . 1 . . . . 40 LEU CD1 . 15055 1 463 . 1 1 40 40 LEU CD2 C 13 25.5 0.2 . 1 . . . . 40 LEU CD2 . 15055 1 464 . 1 1 40 40 LEU N N 15 130.3 0.2 . 1 . . . . 40 LEU N . 15055 1 465 . 1 1 41 41 ILE H H 1 8.52 0.02 . 1 . . . . 41 ILE H . 15055 1 466 . 1 1 41 41 ILE HA H 1 4.39 0.02 . 1 . . . . 41 ILE HA . 15055 1 467 . 1 1 41 41 ILE HB H 1 1.08 0.02 . 1 . . . . 41 ILE HB . 15055 1 468 . 1 1 41 41 ILE HG12 H 1 1.19 0.02 . 2 . . . . 41 ILE HG12 . 15055 1 469 . 1 1 41 41 ILE HG13 H 1 0.72 0.02 . 2 . . . . 41 ILE HG13 . 15055 1 470 . 1 1 41 41 ILE HG21 H 1 1.12 0.02 . 1 . . . . 41 ILE HG2 . 15055 1 471 . 1 1 41 41 ILE HG22 H 1 1.12 0.02 . 1 . . . . 41 ILE HG2 . 15055 1 472 . 1 1 41 41 ILE HG23 H 1 1.12 0.02 . 1 . . . . 41 ILE HG2 . 15055 1 473 . 1 1 41 41 ILE HD11 H 1 0.39 0.02 . 1 . . . . 41 ILE HD1 . 15055 1 474 . 1 1 41 41 ILE HD12 H 1 0.39 0.02 . 1 . . . . 41 ILE HD1 . 15055 1 475 . 1 1 41 41 ILE HD13 H 1 0.39 0.02 . 1 . . . . 41 ILE HD1 . 15055 1 476 . 1 1 41 41 ILE C C 13 174.0 0.2 . 1 . . . . 41 ILE C . 15055 1 477 . 1 1 41 41 ILE CA C 13 60.9 0.2 . 1 . . . . 41 ILE CA . 15055 1 478 . 1 1 41 41 ILE CB C 13 41.5 0.2 . 1 . . . . 41 ILE CB . 15055 1 479 . 1 1 41 41 ILE CG1 C 13 28.6 0.2 . 1 . . . . 41 ILE CG1 . 15055 1 480 . 1 1 41 41 ILE CG2 C 13 20.3 0.2 . 1 . . . . 41 ILE CG2 . 15055 1 481 . 1 1 41 41 ILE CD1 C 13 15.5 0.2 . 1 . . . . 41 ILE CD1 . 15055 1 482 . 1 1 41 41 ILE N N 15 123.9 0.2 . 1 . . . . 41 ILE N . 15055 1 483 . 1 1 42 42 LEU H H 1 7.78 0.02 . 1 . . . . 42 LEU H . 15055 1 484 . 1 1 42 42 LEU HA H 1 4.56 0.02 . 1 . . . . 42 LEU HA . 15055 1 485 . 1 1 42 42 LEU HB2 H 1 1.53 0.02 . 2 . . . . 42 LEU HB2 . 15055 1 486 . 1 1 42 42 LEU HB3 H 1 0.08 0.02 . 2 . . . . 42 LEU HB3 . 15055 1 487 . 1 1 42 42 LEU HG H 1 1.97 0.02 . 1 . . . . 42 LEU HG . 15055 1 488 . 1 1 42 42 LEU HD11 H 1 0.44 0.02 . 1 . . . . 42 LEU HD1 . 15055 1 489 . 1 1 42 42 LEU HD12 H 1 0.44 0.02 . 1 . . . . 42 LEU HD1 . 15055 1 490 . 1 1 42 42 LEU HD13 H 1 0.44 0.02 . 1 . . . . 42 LEU HD1 . 15055 1 491 . 1 1 42 42 LEU HD21 H 1 0.63 0.02 . 1 . . . . 42 LEU HD2 . 15055 1 492 . 1 1 42 42 LEU HD22 H 1 0.63 0.02 . 1 . . . . 42 LEU HD2 . 15055 1 493 . 1 1 42 42 LEU HD23 H 1 0.63 0.02 . 1 . . . . 42 LEU HD2 . 15055 1 494 . 1 1 42 42 LEU C C 13 175.3 0.2 . 1 . . . . 42 LEU C . 15055 1 495 . 1 1 42 42 LEU CA C 13 55.6 0.2 . 1 . . . . 42 LEU CA . 15055 1 496 . 1 1 42 42 LEU CB C 13 42.1 0.2 . 1 . . . . 42 LEU CB . 15055 1 497 . 1 1 42 42 LEU CG C 13 28.6 0.2 . 1 . . . . 42 LEU CG . 15055 1 498 . 1 1 42 42 LEU CD1 C 13 24.7 0.2 . 1 . . . . 42 LEU CD1 . 15055 1 499 . 1 1 42 42 LEU CD2 C 13 24.7 0.2 . 1 . . . . 42 LEU CD2 . 15055 1 500 . 1 1 42 42 LEU N N 15 130.7 0.2 . 1 . . . . 42 LEU N . 15055 1 501 . 1 1 43 43 LEU H H 1 9.11 0.02 . 1 . . . . 43 LEU H . 15055 1 502 . 1 1 43 43 LEU HA H 1 4.54 0.02 . 1 . . . . 43 LEU HA . 15055 1 503 . 1 1 43 43 LEU HB2 H 1 1.55 0.02 . 2 . . . . 43 LEU HB2 . 15055 1 504 . 1 1 43 43 LEU HB3 H 1 1.77 0.02 . 2 . . . . 43 LEU HB3 . 15055 1 505 . 1 1 43 43 LEU HG H 1 1.46 0.02 . 1 . . . . 43 LEU HG . 15055 1 506 . 1 1 43 43 LEU HD11 H 1 0.84 0.02 . 1 . . . . 43 LEU HD1 . 15055 1 507 . 1 1 43 43 LEU HD12 H 1 0.84 0.02 . 1 . . . . 43 LEU HD1 . 15055 1 508 . 1 1 43 43 LEU HD13 H 1 0.84 0.02 . 1 . . . . 43 LEU HD1 . 15055 1 509 . 1 1 43 43 LEU HD21 H 1 0.65 0.02 . 1 . . . . 43 LEU HD2 . 15055 1 510 . 1 1 43 43 LEU HD22 H 1 0.65 0.02 . 1 . . . . 43 LEU HD2 . 15055 1 511 . 1 1 43 43 LEU HD23 H 1 0.65 0.02 . 1 . . . . 43 LEU HD2 . 15055 1 512 . 1 1 43 43 LEU C C 13 174.8 0.2 . 1 . . . . 43 LEU C . 15055 1 513 . 1 1 43 43 LEU CA C 13 54.6 0.2 . 1 . . . . 43 LEU CA . 15055 1 514 . 1 1 43 43 LEU CB C 13 45.3 0.2 . 1 . . . . 43 LEU CB . 15055 1 515 . 1 1 43 43 LEU CG C 13 28.3 0.2 . 1 . . . . 43 LEU CG . 15055 1 516 . 1 1 43 43 LEU CD1 C 13 24.6 0.2 . 1 . . . . 43 LEU CD1 . 15055 1 517 . 1 1 43 43 LEU CD2 C 13 27.3 0.2 . 1 . . . . 43 LEU CD2 . 15055 1 518 . 1 1 43 43 LEU N N 15 131.0 0.2 . 1 . . . . 43 LEU N . 15055 1 519 . 1 1 44 44 GLU H H 1 9.10 0.02 . 1 . . . . 44 GLU H . 15055 1 520 . 1 1 44 44 GLU HA H 1 3.88 0.02 . 1 . . . . 44 GLU HA . 15055 1 521 . 1 1 44 44 GLU HB2 H 1 2.03 0.02 . 2 . . . . 44 GLU HB2 . 15055 1 522 . 1 1 44 44 GLU HG2 H 1 2.27 0.02 . 2 . . . . 44 GLU HG2 . 15055 1 523 . 1 1 44 44 GLU C C 13 177.4 0.2 . 1 . . . . 44 GLU C . 15055 1 524 . 1 1 44 44 GLU CA C 13 59.7 0.2 . 1 . . . . 44 GLU CA . 15055 1 525 . 1 1 44 44 GLU CB C 13 30.1 0.2 . 1 . . . . 44 GLU CB . 15055 1 526 . 1 1 44 44 GLU CG C 13 36.2 0.2 . 1 . . . . 44 GLU CG . 15055 1 527 . 1 1 44 44 GLU N N 15 127.8 0.2 . 1 . . . . 44 GLU N . 15055 1 528 . 1 1 45 45 ASN H H 1 7.60 0.02 . 1 . . . . 45 ASN H . 15055 1 529 . 1 1 45 45 ASN HA H 1 4.40 0.02 . 1 . . . . 45 ASN HA . 15055 1 530 . 1 1 45 45 ASN HB2 H 1 2.85 0.02 . 2 . . . . 45 ASN HB2 . 15055 1 531 . 1 1 45 45 ASN HB3 H 1 2.18 0.02 . 2 . . . . 45 ASN HB3 . 15055 1 532 . 1 1 45 45 ASN C C 13 175.0 0.2 . 1 . . . . 45 ASN C . 15055 1 533 . 1 1 45 45 ASN CA C 13 55.8 0.2 . 1 . . . . 45 ASN CA . 15055 1 534 . 1 1 45 45 ASN CB C 13 40.5 0.2 . 1 . . . . 45 ASN CB . 15055 1 535 . 1 1 45 45 ASN N N 15 118.3 0.2 . 1 . . . . 45 ASN N . 15055 1 536 . 1 1 46 46 GLU H H 1 8.80 0.02 . 1 . . . . 46 GLU H . 15055 1 537 . 1 1 46 46 GLU HA H 1 3.56 0.02 . 1 . . . . 46 GLU HA . 15055 1 538 . 1 1 46 46 GLU HB2 H 1 1.93 0.02 . 2 . . . . 46 GLU HB2 . 15055 1 539 . 1 1 46 46 GLU HB3 H 1 2.10 0.02 . 2 . . . . 46 GLU HB3 . 15055 1 540 . 1 1 46 46 GLU HG2 H 1 2.15 0.02 . 2 . . . . 46 GLU HG2 . 15055 1 541 . 1 1 46 46 GLU C C 13 176.5 0.2 . 1 . . . . 46 GLU C . 15055 1 542 . 1 1 46 46 GLU CA C 13 60.5 0.2 . 1 . . . . 46 GLU CA . 15055 1 543 . 1 1 46 46 GLU CB C 13 30.5 0.2 . 1 . . . . 46 GLU CB . 15055 1 544 . 1 1 46 46 GLU CG C 13 36.1 0.2 . 1 . . . . 46 GLU CG . 15055 1 545 . 1 1 46 46 GLU N N 15 129.6 0.2 . 1 . . . . 46 GLU N . 15055 1 546 . 1 1 47 47 PHE H H 1 7.87 0.02 . 1 . . . . 47 PHE H . 15055 1 547 . 1 1 47 47 PHE HA H 1 4.06 0.02 . 1 . . . . 47 PHE HA . 15055 1 548 . 1 1 47 47 PHE HB2 H 1 3.21 0.02 . 2 . . . . 47 PHE HB2 . 15055 1 549 . 1 1 47 47 PHE HB3 H 1 3.09 0.02 . 2 . . . . 47 PHE HB3 . 15055 1 550 . 1 1 47 47 PHE HD1 H 1 6.99 0.02 . 3 . . . . 47 PHE HD1 . 15055 1 551 . 1 1 47 47 PHE C C 13 178.9 0.2 . 1 . . . . 47 PHE C . 15055 1 552 . 1 1 47 47 PHE CA C 13 60.8 0.2 . 1 . . . . 47 PHE CA . 15055 1 553 . 1 1 47 47 PHE CB C 13 38.2 0.2 . 1 . . . . 47 PHE CB . 15055 1 554 . 1 1 47 47 PHE N N 15 120.4 0.2 . 1 . . . . 47 PHE N . 15055 1 555 . 1 1 48 48 ALA H H 1 8.68 0.02 . 1 . . . . 48 ALA H . 15055 1 556 . 1 1 48 48 ALA HA H 1 3.15 0.02 . 1 . . . . 48 ALA HA . 15055 1 557 . 1 1 48 48 ALA HB1 H 1 0.41 0.02 . 1 . . . . 48 ALA HB . 15055 1 558 . 1 1 48 48 ALA HB2 H 1 0.41 0.02 . 1 . . . . 48 ALA HB . 15055 1 559 . 1 1 48 48 ALA HB3 H 1 0.41 0.02 . 1 . . . . 48 ALA HB . 15055 1 560 . 1 1 48 48 ALA C C 13 178.4 0.2 . 1 . . . . 48 ALA C . 15055 1 561 . 1 1 48 48 ALA CA C 13 54.8 0.2 . 1 . . . . 48 ALA CA . 15055 1 562 . 1 1 48 48 ALA CB C 13 18.1 0.2 . 1 . . . . 48 ALA CB . 15055 1 563 . 1 1 48 48 ALA N N 15 123.5 0.2 . 1 . . . . 48 ALA N . 15055 1 564 . 1 1 49 49 ARG H H 1 8.10 0.02 . 1 . . . . 49 ARG H . 15055 1 565 . 1 1 49 49 ARG HA H 1 3.46 0.02 . 1 . . . . 49 ARG HA . 15055 1 566 . 1 1 49 49 ARG HB2 H 1 1.78 0.02 . 2 . . . . 49 ARG HB2 . 15055 1 567 . 1 1 49 49 ARG HG2 H 1 1.55 0.02 . 2 . . . . 49 ARG HG2 . 15055 1 568 . 1 1 49 49 ARG HD2 H 1 3.29 0.02 . 2 . . . . 49 ARG HD2 . 15055 1 569 . 1 1 49 49 ARG C C 13 177.4 0.2 . 1 . . . . 49 ARG C . 15055 1 570 . 1 1 49 49 ARG CA C 13 60.9 0.2 . 1 . . . . 49 ARG CA . 15055 1 571 . 1 1 49 49 ARG CB C 13 30.6 0.2 . 1 . . . . 49 ARG CB . 15055 1 572 . 1 1 49 49 ARG CG C 13 28.6 0.2 . 1 . . . . 49 ARG CG . 15055 1 573 . 1 1 49 49 ARG CD C 13 43.7 0.2 . 1 . . . . 49 ARG CD . 15055 1 574 . 1 1 49 49 ARG N N 15 117.5 0.2 . 1 . . . . 49 ARG N . 15055 1 575 . 1 1 50 50 ASN H H 1 8.32 0.02 . 1 . . . . 50 ASN H . 15055 1 576 . 1 1 50 50 ASN HA H 1 4.35 0.02 . 1 . . . . 50 ASN HA . 15055 1 577 . 1 1 50 50 ASN HB2 H 1 2.76 0.02 . 2 . . . . 50 ASN HB2 . 15055 1 578 . 1 1 50 50 ASN C C 13 177.6 0.2 . 1 . . . . 50 ASN C . 15055 1 579 . 1 1 50 50 ASN CA C 13 55.6 0.2 . 1 . . . . 50 ASN CA . 15055 1 580 . 1 1 50 50 ASN CB C 13 37.4 0.2 . 1 . . . . 50 ASN CB . 15055 1 581 . 1 1 50 50 ASN N N 15 116.4 0.2 . 1 . . . . 50 ASN N . 15055 1 582 . 1 1 51 51 SER H H 1 7.43 0.02 . 1 . . . . 51 SER H . 15055 1 583 . 1 1 51 51 SER HA H 1 4.02 0.02 . 1 . . . . 51 SER HA . 15055 1 584 . 1 1 51 51 SER HB2 H 1 3.63 0.02 . 2 . . . . 51 SER HB2 . 15055 1 585 . 1 1 51 51 SER HB3 H 1 3.52 0.02 . 2 . . . . 51 SER HB3 . 15055 1 586 . 1 1 51 51 SER CA C 13 61.9 0.2 . 1 . . . . 51 SER CA . 15055 1 587 . 1 1 51 51 SER CB C 13 63.1 0.2 . 1 . . . . 51 SER CB . 15055 1 588 . 1 1 51 51 SER N N 15 114.0 0.2 . 1 . . . . 51 SER N . 15055 1 589 . 1 1 52 52 LEU H H 1 7.97 0.02 . 1 . . . . 52 LEU H . 15055 1 590 . 1 1 52 52 LEU HA H 1 3.90 0.02 . 1 . . . . 52 LEU HA . 15055 1 591 . 1 1 52 52 LEU HB2 H 1 0.46 0.02 . 2 . . . . 52 LEU HB2 . 15055 1 592 . 1 1 52 52 LEU HB3 H 1 0.86 0.02 . 2 . . . . 52 LEU HB3 . 15055 1 593 . 1 1 52 52 LEU HG H 1 1.28 0.02 . 1 . . . . 52 LEU HG . 15055 1 594 . 1 1 52 52 LEU HD11 H 1 -0.15 0.02 . 1 . . . . 52 LEU HD1 . 15055 1 595 . 1 1 52 52 LEU HD12 H 1 -0.15 0.02 . 1 . . . . 52 LEU HD1 . 15055 1 596 . 1 1 52 52 LEU HD13 H 1 -0.15 0.02 . 1 . . . . 52 LEU HD1 . 15055 1 597 . 1 1 52 52 LEU HD21 H 1 0.68 0.02 . 1 . . . . 52 LEU HD2 . 15055 1 598 . 1 1 52 52 LEU HD22 H 1 0.68 0.02 . 1 . . . . 52 LEU HD2 . 15055 1 599 . 1 1 52 52 LEU HD23 H 1 0.68 0.02 . 1 . . . . 52 LEU HD2 . 15055 1 600 . 1 1 52 52 LEU C C 13 179.5 0.2 . 1 . . . . 52 LEU C . 15055 1 601 . 1 1 52 52 LEU CA C 13 58.1 0.2 . 1 . . . . 52 LEU CA . 15055 1 602 . 1 1 52 52 LEU CB C 13 41.9 0.2 . 1 . . . . 52 LEU CB . 15055 1 603 . 1 1 52 52 LEU CG C 13 27.4 0.2 . 1 . . . . 52 LEU CG . 15055 1 604 . 1 1 52 52 LEU CD1 C 13 25.3 0.2 . 1 . . . . 52 LEU CD1 . 15055 1 605 . 1 1 52 52 LEU CD2 C 13 24.0 0.2 . 1 . . . . 52 LEU CD2 . 15055 1 606 . 1 1 52 52 LEU N N 15 122.1 0.2 . 1 . . . . 52 LEU N . 15055 1 607 . 1 1 53 53 ASN H H 1 8.42 0.02 . 1 . . . . 53 ASN H . 15055 1 608 . 1 1 53 53 ASN HA H 1 4.80 0.02 . 1 . . . . 53 ASN HA . 15055 1 609 . 1 1 53 53 ASN HB2 H 1 2.85 0.02 . 2 . . . . 53 ASN HB2 . 15055 1 610 . 1 1 53 53 ASN CA C 13 54.9 0.2 . 1 . . . . 53 ASN CA . 15055 1 611 . 1 1 53 53 ASN CB C 13 38.1 0.2 . 1 . . . . 53 ASN CB . 15055 1 612 . 1 1 53 53 ASN N N 15 116.1 0.2 . 1 . . . . 53 ASN N . 15055 1 613 . 1 1 54 54 ASP H H 1 7.61 0.02 . 1 . . . . 54 ASP H . 15055 1 614 . 1 1 54 54 ASP HA H 1 4.70 0.02 . 1 . . . . 54 ASP HA . 15055 1 615 . 1 1 54 54 ASP HB2 H 1 2.70 0.02 . 2 . . . . 54 ASP HB2 . 15055 1 616 . 1 1 54 54 ASP HB3 H 1 2.75 0.02 . 2 . . . . 54 ASP HB3 . 15055 1 617 . 1 1 54 54 ASP C C 13 175.3 0.2 . 1 . . . . 54 ASP C . 15055 1 618 . 1 1 54 54 ASP CA C 13 54.6 0.2 . 1 . . . . 54 ASP CA . 15055 1 619 . 1 1 54 54 ASP CB C 13 41.3 0.2 . 1 . . . . 54 ASP CB . 15055 1 620 . 1 1 54 54 ASP N N 15 117.6 0.2 . 1 . . . . 54 ASP N . 15055 1 621 . 1 1 55 55 ASN H H 1 7.31 0.02 . 1 . . . . 55 ASN H . 15055 1 622 . 1 1 55 55 ASN HA H 1 4.79 0.02 . 1 . . . . 55 ASN HA . 15055 1 623 . 1 1 55 55 ASN HB2 H 1 2.68 0.02 . 2 . . . . 55 ASN HB2 . 15055 1 624 . 1 1 55 55 ASN HB3 H 1 3.38 0.02 . 2 . . . . 55 ASN HB3 . 15055 1 625 . 1 1 55 55 ASN C C 13 176.7 0.2 . 1 . . . . 55 ASN C . 15055 1 626 . 1 1 55 55 ASN CA C 13 52.4 0.2 . 1 . . . . 55 ASN CA . 15055 1 627 . 1 1 55 55 ASN CB C 13 38.3 0.2 . 1 . . . . 55 ASN CB . 15055 1 628 . 1 1 55 55 ASN N N 15 118.3 0.2 . 1 . . . . 55 ASN N . 15055 1 629 . 1 1 56 56 SER H H 1 8.81 0.02 . 1 . . . . 56 SER H . 15055 1 630 . 1 1 56 56 SER HA H 1 4.21 0.02 . 1 . . . . 56 SER HA . 15055 1 631 . 1 1 56 56 SER HB2 H 1 4.02 0.02 . 2 . . . . 56 SER HB2 . 15055 1 632 . 1 1 56 56 SER CA C 13 60.8 0.2 . 1 . . . . 56 SER CA . 15055 1 633 . 1 1 56 56 SER CB C 13 63.5 0.2 . 1 . . . . 56 SER CB . 15055 1 634 . 1 1 56 56 SER N N 15 122.8 0.2 . 1 . . . . 56 SER N . 15055 1 635 . 1 1 57 57 GLU H H 1 8.13 0.02 . 1 . . . . 57 GLU H . 15055 1 636 . 1 1 57 57 GLU HA H 1 4.33 0.02 . 1 . . . . 57 GLU HA . 15055 1 637 . 1 1 57 57 GLU HB2 H 1 1.89 0.02 . 2 . . . . 57 GLU HB2 . 15055 1 638 . 1 1 57 57 GLU HG2 H 1 2.25 0.02 . 2 . . . . 57 GLU HG2 . 15055 1 639 . 1 1 57 57 GLU HG3 H 1 2.32 0.02 . 2 . . . . 57 GLU HG3 . 15055 1 640 . 1 1 57 57 GLU C C 13 179.0 0.2 . 1 . . . . 57 GLU C . 15055 1 641 . 1 1 57 57 GLU CA C 13 56.9 0.2 . 1 . . . . 57 GLU CA . 15055 1 642 . 1 1 57 57 GLU CB C 13 30.2 0.2 . 1 . . . . 57 GLU CB . 15055 1 643 . 1 1 57 57 GLU CG C 13 36.1 0.2 . 1 . . . . 57 GLU CG . 15055 1 644 . 1 1 57 57 GLU N N 15 118.2 0.2 . 1 . . . . 57 GLU N . 15055 1 645 . 1 1 58 58 ILE H H 1 7.29 0.02 . 1 . . . . 58 ILE H . 15055 1 646 . 1 1 58 58 ILE HA H 1 3.44 0.02 . 1 . . . . 58 ILE HA . 15055 1 647 . 1 1 58 58 ILE HB H 1 2.41 0.02 . 1 . . . . 58 ILE HB . 15055 1 648 . 1 1 58 58 ILE HG12 H 1 1.68 0.02 . 2 . . . . 58 ILE HG12 . 15055 1 649 . 1 1 58 58 ILE HG13 H 1 1.39 0.02 . 2 . . . . 58 ILE HG13 . 15055 1 650 . 1 1 58 58 ILE HG21 H 1 1.19 0.02 . 1 . . . . 58 ILE HG2 . 15055 1 651 . 1 1 58 58 ILE HG22 H 1 1.19 0.02 . 1 . . . . 58 ILE HG2 . 15055 1 652 . 1 1 58 58 ILE HG23 H 1 1.19 0.02 . 1 . . . . 58 ILE HG2 . 15055 1 653 . 1 1 58 58 ILE HD11 H 1 0.82 0.02 . 1 . . . . 58 ILE HD1 . 15055 1 654 . 1 1 58 58 ILE HD12 H 1 0.82 0.02 . 1 . . . . 58 ILE HD1 . 15055 1 655 . 1 1 58 58 ILE HD13 H 1 0.82 0.02 . 1 . . . . 58 ILE HD1 . 15055 1 656 . 1 1 58 58 ILE C C 13 179.0 0.2 . 1 . . . . 58 ILE C . 15055 1 657 . 1 1 58 58 ILE CA C 13 65.1 0.2 . 1 . . . . 58 ILE CA . 15055 1 658 . 1 1 58 58 ILE CB C 13 35.1 0.2 . 1 . . . . 58 ILE CB . 15055 1 659 . 1 1 58 58 ILE CG1 C 13 28.3 0.2 . 1 . . . . 58 ILE CG1 . 15055 1 660 . 1 1 58 58 ILE CG2 C 13 18.4 0.2 . 1 . . . . 58 ILE CG2 . 15055 1 661 . 1 1 58 58 ILE CD1 C 13 11.6 0.2 . 1 . . . . 58 ILE CD1 . 15055 1 662 . 1 1 58 58 ILE N N 15 118.8 0.2 . 1 . . . . 58 ILE N . 15055 1 663 . 1 1 59 59 ILE H H 1 8.51 0.02 . 1 . . . . 59 ILE H . 15055 1 664 . 1 1 59 59 ILE HA H 1 3.95 0.02 . 1 . . . . 59 ILE HA . 15055 1 665 . 1 1 59 59 ILE HB H 1 1.87 0.02 . 1 . . . . 59 ILE HB . 15055 1 666 . 1 1 59 59 ILE HG12 H 1 1.12 0.02 . 2 . . . . 59 ILE HG12 . 15055 1 667 . 1 1 59 59 ILE HG13 H 1 1.28 0.02 . 2 . . . . 59 ILE HG13 . 15055 1 668 . 1 1 59 59 ILE HG21 H 1 0.55 0.02 . 1 . . . . 59 ILE HG2 . 15055 1 669 . 1 1 59 59 ILE HG22 H 1 0.55 0.02 . 1 . . . . 59 ILE HG2 . 15055 1 670 . 1 1 59 59 ILE HG23 H 1 0.55 0.02 . 1 . . . . 59 ILE HG2 . 15055 1 671 . 1 1 59 59 ILE HD11 H 1 0.72 0.02 . 1 . . . . 59 ILE HD1 . 15055 1 672 . 1 1 59 59 ILE HD12 H 1 0.72 0.02 . 1 . . . . 59 ILE HD1 . 15055 1 673 . 1 1 59 59 ILE HD13 H 1 0.72 0.02 . 1 . . . . 59 ILE HD1 . 15055 1 674 . 1 1 59 59 ILE C C 13 175.8 0.2 . 1 . . . . 59 ILE C . 15055 1 675 . 1 1 59 59 ILE CA C 13 62.0 0.2 . 1 . . . . 59 ILE CA . 15055 1 676 . 1 1 59 59 ILE CB C 13 37.0 0.2 . 1 . . . . 59 ILE CB . 15055 1 677 . 1 1 59 59 ILE CG1 C 13 29.1 0.2 . 1 . . . . 59 ILE CG1 . 15055 1 678 . 1 1 59 59 ILE CG2 C 13 17.3 0.2 . 1 . . . . 59 ILE CG2 . 15055 1 679 . 1 1 59 59 ILE CD1 C 13 14.7 0.2 . 1 . . . . 59 ILE CD1 . 15055 1 680 . 1 1 59 59 ILE N N 15 119.1 0.2 . 1 . . . . 59 ILE N . 15055 1 681 . 1 1 60 60 HIS H H 1 6.75 0.02 . 1 . . . . 60 HIS H . 15055 1 682 . 1 1 60 60 HIS HA H 1 4.88 0.02 . 1 . . . . 60 HIS HA . 15055 1 683 . 1 1 60 60 HIS HB2 H 1 3.33 0.02 . 2 . . . . 60 HIS HB2 . 15055 1 684 . 1 1 60 60 HIS C C 13 178.4 0.2 . 1 . . . . 60 HIS C . 15055 1 685 . 1 1 60 60 HIS CA C 13 57.0 0.2 . 1 . . . . 60 HIS CA . 15055 1 686 . 1 1 60 60 HIS CB C 13 27.4 0.2 . 1 . . . . 60 HIS CB . 15055 1 687 . 1 1 60 60 HIS N N 15 119.4 0.2 . 1 . . . . 60 HIS N . 15055 1 688 . 1 1 61 61 LEU H H 1 7.74 0.02 . 1 . . . . 61 LEU H . 15055 1 689 . 1 1 61 61 LEU HA H 1 4.20 0.02 . 1 . . . . 61 LEU HA . 15055 1 690 . 1 1 61 61 LEU HB2 H 1 2.23 0.02 . 2 . . . . 61 LEU HB2 . 15055 1 691 . 1 1 61 61 LEU HB3 H 1 1.43 0.02 . 2 . . . . 61 LEU HB3 . 15055 1 692 . 1 1 61 61 LEU HG H 1 1.89 0.02 . 1 . . . . 61 LEU HG . 15055 1 693 . 1 1 61 61 LEU HD11 H 1 0.46 0.02 . 1 . . . . 61 LEU HD1 . 15055 1 694 . 1 1 61 61 LEU HD12 H 1 0.46 0.02 . 1 . . . . 61 LEU HD1 . 15055 1 695 . 1 1 61 61 LEU HD13 H 1 0.46 0.02 . 1 . . . . 61 LEU HD1 . 15055 1 696 . 1 1 61 61 LEU HD21 H 1 0.83 0.02 . 1 . . . . 61 LEU HD2 . 15055 1 697 . 1 1 61 61 LEU HD22 H 1 0.83 0.02 . 1 . . . . 61 LEU HD2 . 15055 1 698 . 1 1 61 61 LEU HD23 H 1 0.83 0.02 . 1 . . . . 61 LEU HD2 . 15055 1 699 . 1 1 61 61 LEU C C 13 179.7 0.2 . 1 . . . . 61 LEU C . 15055 1 700 . 1 1 61 61 LEU CA C 13 57.6 0.2 . 1 . . . . 61 LEU CA . 15055 1 701 . 1 1 61 61 LEU CB C 13 41.3 0.2 . 1 . . . . 61 LEU CB . 15055 1 702 . 1 1 61 61 LEU CG C 13 27.0 0.2 . 1 . . . . 61 LEU CG . 15055 1 703 . 1 1 61 61 LEU CD1 C 13 24.9 0.2 . 1 . . . . 61 LEU CD1 . 15055 1 704 . 1 1 61 61 LEU CD2 C 13 22.6 0.2 . 1 . . . . 61 LEU CD2 . 15055 1 705 . 1 1 61 61 LEU N N 15 119.9 0.2 . 1 . . . . 61 LEU N . 15055 1 706 . 1 1 62 62 ALA H H 1 8.37 0.02 . 1 . . . . 62 ALA H . 15055 1 707 . 1 1 62 62 ALA HA H 1 3.87 0.02 . 1 . . . . 62 ALA HA . 15055 1 708 . 1 1 62 62 ALA HB1 H 1 1.20 0.02 . 1 . . . . 62 ALA HB . 15055 1 709 . 1 1 62 62 ALA HB2 H 1 1.20 0.02 . 1 . . . . 62 ALA HB . 15055 1 710 . 1 1 62 62 ALA HB3 H 1 1.20 0.02 . 1 . . . . 62 ALA HB . 15055 1 711 . 1 1 62 62 ALA C C 13 179.9 0.2 . 1 . . . . 62 ALA C . 15055 1 712 . 1 1 62 62 ALA CA C 13 55.4 0.2 . 1 . . . . 62 ALA CA . 15055 1 713 . 1 1 62 62 ALA CB C 13 18.5 0.2 . 1 . . . . 62 ALA CB . 15055 1 714 . 1 1 62 62 ALA N N 15 121.0 0.2 . 1 . . . . 62 ALA N . 15055 1 715 . 1 1 63 63 GLU H H 1 8.56 0.02 . 1 . . . . 63 GLU H . 15055 1 716 . 1 1 63 63 GLU HA H 1 4.05 0.02 . 1 . . . . 63 GLU HA . 15055 1 717 . 1 1 63 63 GLU HB2 H 1 1.96 0.02 . 2 . . . . 63 GLU HB2 . 15055 1 718 . 1 1 63 63 GLU HG2 H 1 2.33 0.02 . 2 . . . . 63 GLU HG2 . 15055 1 719 . 1 1 63 63 GLU HG3 H 1 2.43 0.02 . 2 . . . . 63 GLU HG3 . 15055 1 720 . 1 1 63 63 GLU C C 13 177.2 0.2 . 1 . . . . 63 GLU C . 15055 1 721 . 1 1 63 63 GLU CA C 13 58.5 0.2 . 1 . . . . 63 GLU CA . 15055 1 722 . 1 1 63 63 GLU CB C 13 29.8 0.2 . 1 . . . . 63 GLU CB . 15055 1 723 . 1 1 63 63 GLU CG C 13 36.9 0.2 . 1 . . . . 63 GLU CG . 15055 1 724 . 1 1 63 63 GLU N N 15 118.9 0.2 . 1 . . . . 63 GLU N . 15055 1 725 . 1 1 64 64 SER H H 1 7.22 0.02 . 1 . . . . 64 SER H . 15055 1 726 . 1 1 64 64 SER HA H 1 4.26 0.02 . 1 . . . . 64 SER HA . 15055 1 727 . 1 1 64 64 SER HB2 H 1 3.97 0.02 . 2 . . . . 64 SER HB2 . 15055 1 728 . 1 1 64 64 SER C C 13 174.1 0.2 . 1 . . . . 64 SER C . 15055 1 729 . 1 1 64 64 SER CA C 13 60.7 0.2 . 1 . . . . 64 SER CA . 15055 1 730 . 1 1 64 64 SER CB C 13 63.8 0.2 . 1 . . . . 64 SER CB . 15055 1 731 . 1 1 64 64 SER N N 15 111.8 0.2 . 1 . . . . 64 SER N . 15055 1 732 . 1 1 65 65 LEU H H 1 7.21 0.02 . 1 . . . . 65 LEU H . 15055 1 733 . 1 1 65 65 LEU HA H 1 4.38 0.02 . 1 . . . . 65 LEU HA . 15055 1 734 . 1 1 65 65 LEU HB2 H 1 1.48 0.02 . 2 . . . . 65 LEU HB2 . 15055 1 735 . 1 1 65 65 LEU HB3 H 1 0.95 0.02 . 2 . . . . 65 LEU HB3 . 15055 1 736 . 1 1 65 65 LEU HG H 1 1.56 0.02 . 1 . . . . 65 LEU HG . 15055 1 737 . 1 1 65 65 LEU HD11 H 1 0.75 0.02 . 1 . . . . 65 LEU HD1 . 15055 1 738 . 1 1 65 65 LEU HD12 H 1 0.75 0.02 . 1 . . . . 65 LEU HD1 . 15055 1 739 . 1 1 65 65 LEU HD13 H 1 0.75 0.02 . 1 . . . . 65 LEU HD1 . 15055 1 740 . 1 1 65 65 LEU HD21 H 1 0.85 0.02 . 1 . . . . 65 LEU HD2 . 15055 1 741 . 1 1 65 65 LEU HD22 H 1 0.85 0.02 . 1 . . . . 65 LEU HD2 . 15055 1 742 . 1 1 65 65 LEU HD23 H 1 0.85 0.02 . 1 . . . . 65 LEU HD2 . 15055 1 743 . 1 1 65 65 LEU C C 13 176.3 0.2 . 1 . . . . 65 LEU C . 15055 1 744 . 1 1 65 65 LEU CA C 13 55.2 0.2 . 1 . . . . 65 LEU CA . 15055 1 745 . 1 1 65 65 LEU CB C 13 46.9 0.2 . 1 . . . . 65 LEU CB . 15055 1 746 . 1 1 65 65 LEU CG C 13 27.0 0.2 . 1 . . . . 65 LEU CG . 15055 1 747 . 1 1 65 65 LEU CD1 C 13 23.3 0.2 . 1 . . . . 65 LEU CD1 . 15055 1 748 . 1 1 65 65 LEU CD2 C 13 26.9 0.2 . 1 . . . . 65 LEU CD2 . 15055 1 749 . 1 1 65 65 LEU N N 15 120.6 0.2 . 1 . . . . 65 LEU N . 15055 1 750 . 1 1 66 66 TYR H H 1 8.07 0.02 . 1 . . . . 66 TYR H . 15055 1 751 . 1 1 66 66 TYR HA H 1 4.06 0.02 . 1 . . . . 66 TYR HA . 15055 1 752 . 1 1 66 66 TYR HB2 H 1 2.31 0.02 . 2 . . . . 66 TYR HB2 . 15055 1 753 . 1 1 66 66 TYR HB3 H 1 2.04 0.02 . 2 . . . . 66 TYR HB3 . 15055 1 754 . 1 1 66 66 TYR HD1 H 1 6.18 0.02 . 3 . . . . 66 TYR HD1 . 15055 1 755 . 1 1 66 66 TYR HE1 H 1 6.05 0.02 . 3 . . . . 66 TYR HE1 . 15055 1 756 . 1 1 66 66 TYR CA C 13 56.6 0.2 . 1 . . . . 66 TYR CA . 15055 1 757 . 1 1 66 66 TYR CB C 13 38.6 0.2 . 1 . . . . 66 TYR CB . 15055 1 758 . 1 1 66 66 TYR CD1 C 13 133.0 0.2 . 3 . . . . 66 TYR CD1 . 15055 1 759 . 1 1 66 66 TYR CE1 C 13 117.2 0.2 . 3 . . . . 66 TYR CE1 . 15055 1 760 . 1 1 66 66 TYR N N 15 120.6 0.2 . 1 . . . . 66 TYR N . 15055 1 761 . 1 1 67 67 GLU H H 1 8.29 0.02 . 1 . . . . 67 GLU H . 15055 1 762 . 1 1 67 67 GLU HA H 1 4.05 0.02 . 1 . . . . 67 GLU HA . 15055 1 763 . 1 1 67 67 GLU HB2 H 1 1.94 0.02 . 2 . . . . 67 GLU HB2 . 15055 1 764 . 1 1 67 67 GLU HG2 H 1 2.23 0.02 . 2 . . . . 67 GLU HG2 . 15055 1 765 . 1 1 67 67 GLU C C 13 178.5 0.2 . 1 . . . . 67 GLU C . 15055 1 766 . 1 1 67 67 GLU CA C 13 58.0 0.2 . 1 . . . . 67 GLU CA . 15055 1 767 . 1 1 67 67 GLU CB C 13 29.4 0.2 . 1 . . . . 67 GLU CB . 15055 1 768 . 1 1 67 67 GLU CG C 13 36.2 0.2 . 1 . . . . 67 GLU CG . 15055 1 769 . 1 1 67 67 GLU N N 15 124.7 0.2 . 1 . . . . 67 GLU N . 15055 1 770 . 1 1 68 68 GLY H H 1 8.96 0.02 . 1 . . . . 68 GLY H . 15055 1 771 . 1 1 68 68 GLY HA2 H 1 3.70 0.02 . 2 . . . . 68 GLY HA2 . 15055 1 772 . 1 1 68 68 GLY HA3 H 1 4.09 0.02 . 2 . . . . 68 GLY HA3 . 15055 1 773 . 1 1 68 68 GLY C C 13 174.6 0.2 . 1 . . . . 68 GLY C . 15055 1 774 . 1 1 68 68 GLY CA C 13 45.5 0.2 . 1 . . . . 68 GLY CA . 15055 1 775 . 1 1 68 68 GLY N N 15 114.0 0.2 . 1 . . . . 68 GLY N . 15055 1 776 . 1 1 69 69 ILE H H 1 7.36 0.02 . 1 . . . . 69 ILE H . 15055 1 777 . 1 1 69 69 ILE HA H 1 3.90 0.02 . 1 . . . . 69 ILE HA . 15055 1 778 . 1 1 69 69 ILE HB H 1 1.75 0.02 . 1 . . . . 69 ILE HB . 15055 1 779 . 1 1 69 69 ILE HG12 H 1 1.56 0.02 . 2 . . . . 69 ILE HG12 . 15055 1 780 . 1 1 69 69 ILE HG13 H 1 0.85 0.02 . 2 . . . . 69 ILE HG13 . 15055 1 781 . 1 1 69 69 ILE HG21 H 1 0.85 0.02 . 1 . . . . 69 ILE HG2 . 15055 1 782 . 1 1 69 69 ILE HG22 H 1 0.85 0.02 . 1 . . . . 69 ILE HG2 . 15055 1 783 . 1 1 69 69 ILE HG23 H 1 0.85 0.02 . 1 . . . . 69 ILE HG2 . 15055 1 784 . 1 1 69 69 ILE HD11 H 1 0.42 0.02 . 1 . . . . 69 ILE HD1 . 15055 1 785 . 1 1 69 69 ILE HD12 H 1 0.42 0.02 . 1 . . . . 69 ILE HD1 . 15055 1 786 . 1 1 69 69 ILE HD13 H 1 0.42 0.02 . 1 . . . . 69 ILE HD1 . 15055 1 787 . 1 1 69 69 ILE C C 13 176.7 0.2 . 1 . . . . 69 ILE C . 15055 1 788 . 1 1 69 69 ILE CA C 13 62.4 0.2 . 1 . . . . 69 ILE CA . 15055 1 789 . 1 1 69 69 ILE CB C 13 38.4 0.2 . 1 . . . . 69 ILE CB . 15055 1 790 . 1 1 69 69 ILE CG1 C 13 30.1 0.2 . 1 . . . . 69 ILE CG1 . 15055 1 791 . 1 1 69 69 ILE CG2 C 13 16.6 0.2 . 1 . . . . 69 ILE CG2 . 15055 1 792 . 1 1 69 69 ILE CD1 C 13 16.0 0.2 . 1 . . . . 69 ILE CD1 . 15055 1 793 . 1 1 69 69 ILE N N 15 118.3 0.2 . 1 . . . . 69 ILE N . 15055 1 794 . 1 1 70 70 LYS H H 1 9.48 0.02 . 1 . . . . 70 LYS H . 15055 1 795 . 1 1 70 70 LYS HA H 1 4.47 0.02 . 1 . . . . 70 LYS HA . 15055 1 796 . 1 1 70 70 LYS HB2 H 1 1.75 0.02 . 2 . . . . 70 LYS HB2 . 15055 1 797 . 1 1 70 70 LYS HB3 H 1 1.65 0.02 . 2 . . . . 70 LYS HB3 . 15055 1 798 . 1 1 70 70 LYS HG2 H 1 1.48 0.02 . 2 . . . . 70 LYS HG2 . 15055 1 799 . 1 1 70 70 LYS HG3 H 1 1.42 0.02 . 2 . . . . 70 LYS HG3 . 15055 1 800 . 1 1 70 70 LYS HD2 H 1 1.63 0.02 . 2 . . . . 70 LYS HD2 . 15055 1 801 . 1 1 70 70 LYS HE2 H 1 2.92 0.02 . 2 . . . . 70 LYS HE2 . 15055 1 802 . 1 1 70 70 LYS C C 13 176.9 0.2 . 1 . . . . 70 LYS C . 15055 1 803 . 1 1 70 70 LYS CA C 13 55.9 0.2 . 1 . . . . 70 LYS CA . 15055 1 804 . 1 1 70 70 LYS CB C 13 35.0 0.2 . 1 . . . . 70 LYS CB . 15055 1 805 . 1 1 70 70 LYS CG C 13 24.6 0.2 . 1 . . . . 70 LYS CG . 15055 1 806 . 1 1 70 70 LYS CD C 13 28.8 0.2 . 1 . . . . 70 LYS CD . 15055 1 807 . 1 1 70 70 LYS CE C 13 42.3 0.2 . 1 . . . . 70 LYS CE . 15055 1 808 . 1 1 70 70 LYS N N 15 124.0 0.2 . 1 . . . . 70 LYS N . 15055 1 809 . 1 1 71 71 SER H H 1 7.30 0.02 . 1 . . . . 71 SER H . 15055 1 810 . 1 1 71 71 SER HA H 1 4.52 0.02 . 1 . . . . 71 SER HA . 15055 1 811 . 1 1 71 71 SER HB2 H 1 3.73 0.02 . 2 . . . . 71 SER HB2 . 15055 1 812 . 1 1 71 71 SER C C 13 171.7 0.2 . 1 . . . . 71 SER C . 15055 1 813 . 1 1 71 71 SER CA C 13 57.9 0.2 . 1 . . . . 71 SER CA . 15055 1 814 . 1 1 71 71 SER CB C 13 65.4 0.2 . 1 . . . . 71 SER CB . 15055 1 815 . 1 1 71 71 SER N N 15 111.4 0.2 . 1 . . . . 71 SER N . 15055 1 816 . 1 1 72 72 VAL H H 1 8.38 0.02 . 1 . . . . 72 VAL H . 15055 1 817 . 1 1 72 72 VAL HA H 1 4.79 0.02 . 1 . . . . 72 VAL HA . 15055 1 818 . 1 1 72 72 VAL HB H 1 1.82 0.02 . 1 . . . . 72 VAL HB . 15055 1 819 . 1 1 72 72 VAL HG11 H 1 0.63 0.02 . 1 . . . . 72 VAL HG1 . 15055 1 820 . 1 1 72 72 VAL HG12 H 1 0.63 0.02 . 1 . . . . 72 VAL HG1 . 15055 1 821 . 1 1 72 72 VAL HG13 H 1 0.63 0.02 . 1 . . . . 72 VAL HG1 . 15055 1 822 . 1 1 72 72 VAL HG21 H 1 0.68 0.02 . 1 . . . . 72 VAL HG2 . 15055 1 823 . 1 1 72 72 VAL HG22 H 1 0.68 0.02 . 1 . . . . 72 VAL HG2 . 15055 1 824 . 1 1 72 72 VAL HG23 H 1 0.68 0.02 . 1 . . . . 72 VAL HG2 . 15055 1 825 . 1 1 72 72 VAL C C 13 174.3 0.2 . 1 . . . . 72 VAL C . 15055 1 826 . 1 1 72 72 VAL CA C 13 60.1 0.2 . 1 . . . . 72 VAL CA . 15055 1 827 . 1 1 72 72 VAL CB C 13 34.3 0.2 . 1 . . . . 72 VAL CB . 15055 1 828 . 1 1 72 72 VAL CG1 C 13 21.9 0.2 . 1 . . . . 72 VAL CG1 . 15055 1 829 . 1 1 72 72 VAL CG2 C 13 21.4 0.2 . 1 . . . . 72 VAL CG2 . 15055 1 830 . 1 1 72 72 VAL N N 15 123.2 0.2 . 1 . . . . 72 VAL N . 15055 1 831 . 1 1 73 73 ASN H H 1 8.78 0.02 . 1 . . . . 73 ASN H . 15055 1 832 . 1 1 73 73 ASN HA H 1 5.02 0.02 . 1 . . . . 73 ASN HA . 15055 1 833 . 1 1 73 73 ASN HB2 H 1 2.53 0.02 . 2 . . . . 73 ASN HB2 . 15055 1 834 . 1 1 73 73 ASN HB3 H 1 2.35 0.02 . 2 . . . . 73 ASN HB3 . 15055 1 835 . 1 1 73 73 ASN C C 13 172.9 0.2 . 1 . . . . 73 ASN C . 15055 1 836 . 1 1 73 73 ASN CA C 13 52.4 0.2 . 1 . . . . 73 ASN CA . 15055 1 837 . 1 1 73 73 ASN CB C 13 41.3 0.2 . 1 . . . . 73 ASN CB . 15055 1 838 . 1 1 73 73 ASN N N 15 125.7 0.2 . 1 . . . . 73 ASN N . 15055 1 839 . 1 1 74 74 PHE H H 1 9.37 0.02 . 1 . . . . 74 PHE H . 15055 1 840 . 1 1 74 74 PHE HA H 1 5.37 0.02 . 1 . . . . 74 PHE HA . 15055 1 841 . 1 1 74 74 PHE HB2 H 1 3.14 0.02 . 2 . . . . 74 PHE HB2 . 15055 1 842 . 1 1 74 74 PHE HB3 H 1 2.64 0.02 . 2 . . . . 74 PHE HB3 . 15055 1 843 . 1 1 74 74 PHE HD1 H 1 7.27 0.02 . 3 . . . . 74 PHE HD1 . 15055 1 844 . 1 1 74 74 PHE CA C 13 57.3 0.2 . 1 . . . . 74 PHE CA . 15055 1 845 . 1 1 74 74 PHE CB C 13 39.3 0.2 . 1 . . . . 74 PHE CB . 15055 1 846 . 1 1 74 74 PHE CD1 C 13 133.4 0.2 . 3 . . . . 74 PHE CD1 . 15055 1 847 . 1 1 74 74 PHE N N 15 126.5 0.2 . 1 . . . . 74 PHE N . 15055 1 848 . 1 1 75 75 VAL H H 1 9.27 0.02 . 1 . . . . 75 VAL H . 15055 1 849 . 1 1 75 75 VAL HA H 1 4.92 0.02 . 1 . . . . 75 VAL HA . 15055 1 850 . 1 1 75 75 VAL HB H 1 2.46 0.02 . 1 . . . . 75 VAL HB . 15055 1 851 . 1 1 75 75 VAL HG11 H 1 0.78 0.02 . 1 . . . . 75 VAL HG1 . 15055 1 852 . 1 1 75 75 VAL HG12 H 1 0.78 0.02 . 1 . . . . 75 VAL HG1 . 15055 1 853 . 1 1 75 75 VAL HG13 H 1 0.78 0.02 . 1 . . . . 75 VAL HG1 . 15055 1 854 . 1 1 75 75 VAL HG21 H 1 0.86 0.02 . 1 . . . . 75 VAL HG2 . 15055 1 855 . 1 1 75 75 VAL HG22 H 1 0.86 0.02 . 1 . . . . 75 VAL HG2 . 15055 1 856 . 1 1 75 75 VAL HG23 H 1 0.86 0.02 . 1 . . . . 75 VAL HG2 . 15055 1 857 . 1 1 75 75 VAL C C 13 174.3 0.2 . 1 . . . . 75 VAL C . 15055 1 858 . 1 1 75 75 VAL CA C 13 59.1 0.2 . 1 . . . . 75 VAL CA . 15055 1 859 . 1 1 75 75 VAL CB C 13 36.9 0.2 . 1 . . . . 75 VAL CB . 15055 1 860 . 1 1 75 75 VAL CG1 C 13 22.9 0.2 . 1 . . . . 75 VAL CG1 . 15055 1 861 . 1 1 75 75 VAL CG2 C 13 19.8 0.2 . 1 . . . . 75 VAL CG2 . 15055 1 862 . 1 1 75 75 VAL N N 15 116.4 0.2 . 1 . . . . 75 VAL N . 15055 1 863 . 1 1 76 76 ASN H H 1 8.83 0.02 . 1 . . . . 76 ASN H . 15055 1 864 . 1 1 76 76 ASN HA H 1 4.30 0.02 . 1 . . . . 76 ASN HA . 15055 1 865 . 1 1 76 76 ASN HB2 H 1 3.58 0.02 . 2 . . . . 76 ASN HB2 . 15055 1 866 . 1 1 76 76 ASN HB3 H 1 2.51 0.02 . 2 . . . . 76 ASN HB3 . 15055 1 867 . 1 1 76 76 ASN C C 13 174.5 0.2 . 1 . . . . 76 ASN C . 15055 1 868 . 1 1 76 76 ASN CA C 13 51.3 0.2 . 1 . . . . 76 ASN CA . 15055 1 869 . 1 1 76 76 ASN CB C 13 37.9 0.2 . 1 . . . . 76 ASN CB . 15055 1 870 . 1 1 76 76 ASN N N 15 118.2 0.2 . 1 . . . . 76 ASN N . 15055 1 871 . 1 1 77 77 GLU H H 1 9.15 0.02 . 1 . . . . 77 GLU H . 15055 1 872 . 1 1 77 77 GLU HA H 1 3.72 0.02 . 1 . . . . 77 GLU HA . 15055 1 873 . 1 1 77 77 GLU HB2 H 1 2.05 0.02 . 2 . . . . 77 GLU HB2 . 15055 1 874 . 1 1 77 77 GLU HG2 H 1 2.22 0.02 . 2 . . . . 77 GLU HG2 . 15055 1 875 . 1 1 77 77 GLU C C 13 178.0 0.2 . 1 . . . . 77 GLU C . 15055 1 876 . 1 1 77 77 GLU CA C 13 60.9 0.2 . 1 . . . . 77 GLU CA . 15055 1 877 . 1 1 77 77 GLU CB C 13 30.1 0.2 . 1 . . . . 77 GLU CB . 15055 1 878 . 1 1 77 77 GLU CG C 13 36.9 0.2 . 1 . . . . 77 GLU CG . 15055 1 879 . 1 1 77 77 GLU N N 15 118.9 0.2 . 1 . . . . 77 GLU N . 15055 1 880 . 1 1 78 78 GLN H H 1 8.19 0.02 . 1 . . . . 78 GLN H . 15055 1 881 . 1 1 78 78 GLN HA H 1 4.09 0.02 . 1 . . . . 78 GLN HA . 15055 1 882 . 1 1 78 78 GLN HB2 H 1 1.97 0.02 . 2 . . . . 78 GLN HB2 . 15055 1 883 . 1 1 78 78 GLN HB3 H 1 2.03 0.02 . 2 . . . . 78 GLN HB3 . 15055 1 884 . 1 1 78 78 GLN HG2 H 1 2.32 0.02 . 2 . . . . 78 GLN HG2 . 15055 1 885 . 1 1 78 78 GLN C C 13 179.5 0.2 . 1 . . . . 78 GLN C . 15055 1 886 . 1 1 78 78 GLN CA C 13 59.5 0.2 . 1 . . . . 78 GLN CA . 15055 1 887 . 1 1 78 78 GLN CB C 13 28.4 0.2 . 1 . . . . 78 GLN CB . 15055 1 888 . 1 1 78 78 GLN N N 15 118.2 0.2 . 1 . . . . 78 GLN N . 15055 1 889 . 1 1 79 79 ASP H H 1 8.78 0.02 . 1 . . . . 79 ASP H . 15055 1 890 . 1 1 79 79 ASP HA H 1 4.62 0.02 . 1 . . . . 79 ASP HA . 15055 1 891 . 1 1 79 79 ASP HB2 H 1 2.77 0.02 . 2 . . . . 79 ASP HB2 . 15055 1 892 . 1 1 79 79 ASP HB3 H 1 2.34 0.02 . 2 . . . . 79 ASP HB3 . 15055 1 893 . 1 1 79 79 ASP CA C 13 56.9 0.2 . 1 . . . . 79 ASP CA . 15055 1 894 . 1 1 79 79 ASP CB C 13 39.7 0.2 . 1 . . . . 79 ASP CB . 15055 1 895 . 1 1 79 79 ASP N N 15 120.0 0.2 . 1 . . . . 79 ASP N . 15055 1 896 . 1 1 80 80 PHE H H 1 9.19 0.02 . 1 . . . . 80 PHE H . 15055 1 897 . 1 1 80 80 PHE HA H 1 3.78 0.02 . 1 . . . . 80 PHE HA . 15055 1 898 . 1 1 80 80 PHE HB2 H 1 2.95 0.02 . 2 . . . . 80 PHE HB2 . 15055 1 899 . 1 1 80 80 PHE HD1 H 1 6.15 0.02 . 3 . . . . 80 PHE HD1 . 15055 1 900 . 1 1 80 80 PHE C C 13 176.7 0.2 . 1 . . . . 80 PHE C . 15055 1 901 . 1 1 80 80 PHE CA C 13 63.3 0.2 . 1 . . . . 80 PHE CA . 15055 1 902 . 1 1 80 80 PHE CB C 13 39.1 0.2 . 1 . . . . 80 PHE CB . 15055 1 903 . 1 1 80 80 PHE CD1 C 13 131.6 0.2 . 3 . . . . 80 PHE CD1 . 15055 1 904 . 1 1 80 80 PHE N N 15 126.0 0.2 . 1 . . . . 80 PHE N . 15055 1 905 . 1 1 81 81 PHE H H 1 8.08 0.02 . 1 . . . . 81 PHE H . 15055 1 906 . 1 1 81 81 PHE HA H 1 4.13 0.02 . 1 . . . . 81 PHE HA . 15055 1 907 . 1 1 81 81 PHE HB2 H 1 3.25 0.02 . 2 . . . . 81 PHE HB2 . 15055 1 908 . 1 1 81 81 PHE HB3 H 1 3.04 0.02 . 2 . . . . 81 PHE HB3 . 15055 1 909 . 1 1 81 81 PHE HD1 H 1 7.48 0.02 . 3 . . . . 81 PHE HD1 . 15055 1 910 . 1 1 81 81 PHE C C 13 179.2 0.2 . 1 . . . . 81 PHE C . 15055 1 911 . 1 1 81 81 PHE CA C 13 62.3 0.2 . 1 . . . . 81 PHE CA . 15055 1 912 . 1 1 81 81 PHE CB C 13 38.3 0.2 . 1 . . . . 81 PHE CB . 15055 1 913 . 1 1 81 81 PHE CD1 C 13 132.0 0.2 . 3 . . . . 81 PHE CD1 . 15055 1 914 . 1 1 81 81 PHE N N 15 115.8 0.2 . 1 . . . . 81 PHE N . 15055 1 915 . 1 1 82 82 PHE H H 1 8.21 0.02 . 1 . . . . 82 PHE H . 15055 1 916 . 1 1 82 82 PHE HA H 1 4.35 0.02 . 1 . . . . 82 PHE HA . 15055 1 917 . 1 1 82 82 PHE HB2 H 1 3.32 0.02 . 2 . . . . 82 PHE HB2 . 15055 1 918 . 1 1 82 82 PHE HB3 H 1 3.10 0.02 . 2 . . . . 82 PHE HB3 . 15055 1 919 . 1 1 82 82 PHE HD1 H 1 7.19 0.02 . 3 . . . . 82 PHE HD1 . 15055 1 920 . 1 1 82 82 PHE C C 13 177.9 0.2 . 1 . . . . 82 PHE C . 15055 1 921 . 1 1 82 82 PHE CA C 13 61.1 0.2 . 1 . . . . 82 PHE CA . 15055 1 922 . 1 1 82 82 PHE CB C 13 39.4 0.2 . 1 . . . . 82 PHE CB . 15055 1 923 . 1 1 82 82 PHE CD1 C 13 132.0 0.2 . 3 . . . . 82 PHE CD1 . 15055 1 924 . 1 1 82 82 PHE N N 15 121.1 0.2 . 1 . . . . 82 PHE N . 15055 1 925 . 1 1 83 83 ASN H H 1 8.21 0.02 . 1 . . . . 83 ASN H . 15055 1 926 . 1 1 83 83 ASN HA H 1 4.10 0.02 . 1 . . . . 83 ASN HA . 15055 1 927 . 1 1 83 83 ASN HB2 H 1 2.68 0.02 . 2 . . . . 83 ASN HB2 . 15055 1 928 . 1 1 83 83 ASN HB3 H 1 2.25 0.02 . 2 . . . . 83 ASN HB3 . 15055 1 929 . 1 1 83 83 ASN CA C 13 56.8 0.2 . 1 . . . . 83 ASN CA . 15055 1 930 . 1 1 83 83 ASN CB C 13 39.8 0.2 . 1 . . . . 83 ASN CB . 15055 1 931 . 1 1 83 83 ASN N N 15 117.1 0.2 . 1 . . . . 83 ASN N . 15055 1 932 . 1 1 84 84 LEU H H 1 8.25 0.02 . 1 . . . . 84 LEU H . 15055 1 933 . 1 1 84 84 LEU HA H 1 3.65 0.02 . 1 . . . . 84 LEU HA . 15055 1 934 . 1 1 84 84 LEU HB2 H 1 1.15 0.02 . 2 . . . . 84 LEU HB2 . 15055 1 935 . 1 1 84 84 LEU HB3 H 1 1.46 0.02 . 2 . . . . 84 LEU HB3 . 15055 1 936 . 1 1 84 84 LEU HG H 1 1.30 0.02 . 1 . . . . 84 LEU HG . 15055 1 937 . 1 1 84 84 LEU HD11 H 1 0.56 0.02 . 2 . . . . 84 LEU HD1 . 15055 1 938 . 1 1 84 84 LEU HD12 H 1 0.56 0.02 . 2 . . . . 84 LEU HD1 . 15055 1 939 . 1 1 84 84 LEU HD13 H 1 0.56 0.02 . 2 . . . . 84 LEU HD1 . 15055 1 940 . 1 1 84 84 LEU HD21 H 1 0.66 0.02 . 2 . . . . 84 LEU HD2 . 15055 1 941 . 1 1 84 84 LEU HD22 H 1 0.66 0.02 . 2 . . . . 84 LEU HD2 . 15055 1 942 . 1 1 84 84 LEU HD23 H 1 0.66 0.02 . 2 . . . . 84 LEU HD2 . 15055 1 943 . 1 1 84 84 LEU C C 13 178.5 0.2 . 1 . . . . 84 LEU C . 15055 1 944 . 1 1 84 84 LEU CA C 13 58.1 0.2 . 1 . . . . 84 LEU CA . 15055 1 945 . 1 1 84 84 LEU CB C 13 41.9 0.2 . 1 . . . . 84 LEU CB . 15055 1 946 . 1 1 84 84 LEU CG C 13 26.4 0.2 . 1 . . . . 84 LEU CG . 15055 1 947 . 1 1 84 84 LEU CD1 C 13 24.0 0.2 . 2 . . . . 84 LEU CD1 . 15055 1 948 . 1 1 84 84 LEU CD2 C 13 24.6 0.2 . 2 . . . . 84 LEU CD2 . 15055 1 949 . 1 1 84 84 LEU N N 15 121.2 0.2 . 1 . . . . 84 LEU N . 15055 1 950 . 1 1 85 85 ALA H H 1 7.30 0.02 . 1 . . . . 85 ALA H . 15055 1 951 . 1 1 85 85 ALA HA H 1 4.02 0.02 . 1 . . . . 85 ALA HA . 15055 1 952 . 1 1 85 85 ALA HB1 H 1 1.32 0.02 . 1 . . . . 85 ALA HB . 15055 1 953 . 1 1 85 85 ALA HB2 H 1 1.32 0.02 . 1 . . . . 85 ALA HB . 15055 1 954 . 1 1 85 85 ALA HB3 H 1 1.32 0.02 . 1 . . . . 85 ALA HB . 15055 1 955 . 1 1 85 85 ALA C C 13 180.0 0.2 . 1 . . . . 85 ALA C . 15055 1 956 . 1 1 85 85 ALA CA C 13 54.5 0.2 . 1 . . . . 85 ALA CA . 15055 1 957 . 1 1 85 85 ALA CB C 13 17.7 0.2 . 1 . . . . 85 ALA CB . 15055 1 958 . 1 1 85 85 ALA N N 15 119.6 0.2 . 1 . . . . 85 ALA N . 15055 1 959 . 1 1 86 86 LYS H H 1 7.20 0.02 . 1 . . . . 86 LYS H . 15055 1 960 . 1 1 86 86 LYS HA H 1 3.96 0.02 . 1 . . . . 86 LYS HA . 15055 1 961 . 1 1 86 86 LYS HB2 H 1 1.62 0.02 . 2 . . . . 86 LYS HB2 . 15055 1 962 . 1 1 86 86 LYS HB3 H 1 1.67 0.02 . 2 . . . . 86 LYS HB3 . 15055 1 963 . 1 1 86 86 LYS HG2 H 1 1.22 24.3 . 2 . . . . 86 LYS HG2 . 15055 1 964 . 1 1 86 86 LYS HD2 H 1 1.42 0.02 . 2 . . . . 86 LYS HD2 . 15055 1 965 . 1 1 86 86 LYS HD3 H 1 1.48 0.02 . 2 . . . . 86 LYS HD3 . 15055 1 966 . 1 1 86 86 LYS CA C 13 58.0 0.2 . 1 . . . . 86 LYS CA . 15055 1 967 . 1 1 86 86 LYS CB C 13 32.1 0.2 . 1 . . . . 86 LYS CB . 15055 1 968 . 1 1 86 86 LYS CG C 13 24.3 0.2 . 1 . . . . 86 LYS CG . 15055 1 969 . 1 1 86 86 LYS CD C 13 28.6 0.2 . 1 . . . . 86 LYS CD . 15055 1 970 . 1 1 86 86 LYS N N 15 117.5 0.2 . 1 . . . . 86 LYS N . 15055 1 971 . 1 1 87 87 LEU H H 1 7.84 0.02 . 1 . . . . 87 LEU H . 15055 1 972 . 1 1 87 87 LEU HA H 1 4.07 0.02 . 1 . . . . 87 LEU HA . 15055 1 973 . 1 1 87 87 LEU HB2 H 1 1.66 0.02 . 2 . . . . 87 LEU HB2 . 15055 1 974 . 1 1 87 87 LEU HG H 1 1.68 0.02 . 1 . . . . 87 LEU HG . 15055 1 975 . 1 1 87 87 LEU HD11 H 1 0.65 0.02 . 1 . . . . 87 LEU HD1 . 15055 1 976 . 1 1 87 87 LEU HD12 H 1 0.65 0.02 . 1 . . . . 87 LEU HD1 . 15055 1 977 . 1 1 87 87 LEU HD13 H 1 0.65 0.02 . 1 . . . . 87 LEU HD1 . 15055 1 978 . 1 1 87 87 LEU HD21 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 15055 1 979 . 1 1 87 87 LEU HD22 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 15055 1 980 . 1 1 87 87 LEU HD23 H 1 0.72 0.02 . 1 . . . . 87 LEU HD2 . 15055 1 981 . 1 1 87 87 LEU CA C 13 56.6 0.2 . 1 . . . . 87 LEU CA . 15055 1 982 . 1 1 87 87 LEU CB C 13 42.2 0.2 . 1 . . . . 87 LEU CB . 15055 1 983 . 1 1 87 87 LEU CG C 13 26.6 0.2 . 1 . . . . 87 LEU CG . 15055 1 984 . 1 1 87 87 LEU CD1 C 13 25.5 0.2 . 1 . . . . 87 LEU CD1 . 15055 1 985 . 1 1 87 87 LEU CD2 C 13 22.4 0.2 . 1 . . . . 87 LEU CD2 . 15055 1 986 . 1 1 87 87 LEU N N 15 119.7 0.2 . 1 . . . . 87 LEU N . 15055 1 987 . 1 1 88 88 GLU H H 1 7.76 0.02 . 1 . . . . 88 GLU H . 15055 1 988 . 1 1 88 88 GLU HA H 1 4.04 0.02 . 1 . . . . 88 GLU HA . 15055 1 989 . 1 1 88 88 GLU HB2 H 1 1.97 0.02 . 2 . . . . 88 GLU HB2 . 15055 1 990 . 1 1 88 88 GLU HB3 H 1 1.95 0.02 . 2 . . . . 88 GLU HB3 . 15055 1 991 . 1 1 88 88 GLU C C 13 177.6 0.2 . 1 . . . . 88 GLU C . 15055 1 992 . 1 1 88 88 GLU CA C 13 57.5 0.2 . 1 . . . . 88 GLU CA . 15055 1 993 . 1 1 88 88 GLU CB C 13 29.9 0.2 . 1 . . . . 88 GLU CB . 15055 1 994 . 1 1 88 88 GLU N N 15 118.5 0.2 . 1 . . . . 88 GLU N . 15055 1 995 . 1 1 89 89 GLU H H 1 7.86 0.02 . 1 . . . . 89 GLU H . 15055 1 996 . 1 1 89 89 GLU HA H 1 4.04 0.02 . 1 . . . . 89 GLU HA . 15055 1 997 . 1 1 89 89 GLU HB2 H 1 1.96 0.02 . 2 . . . . 89 GLU HB2 . 15055 1 998 . 1 1 89 89 GLU C C 13 177.1 0.2 . 1 . . . . 89 GLU C . 15055 1 999 . 1 1 89 89 GLU CA C 13 57.8 0.2 . 1 . . . . 89 GLU CA . 15055 1 1000 . 1 1 89 89 GLU CB C 13 29.9 0.2 . 1 . . . . 89 GLU CB . 15055 1 1001 . 1 1 89 89 GLU N N 15 120.6 0.2 . 1 . . . . 89 GLU N . 15055 1 1002 . 1 1 90 90 ASN H H 1 8.23 0.02 . 1 . . . . 90 ASN H . 15055 1 1003 . 1 1 90 90 ASN HA H 1 4.62 0.02 . 1 . . . . 90 ASN HA . 15055 1 1004 . 1 1 90 90 ASN HB2 H 1 2.82 0.02 . 2 . . . . 90 ASN HB2 . 15055 1 1005 . 1 1 90 90 ASN HB3 H 1 2.71 0.02 . 2 . . . . 90 ASN HB3 . 15055 1 1006 . 1 1 90 90 ASN C C 13 175.8 0.2 . 1 . . . . 90 ASN C . 15055 1 1007 . 1 1 90 90 ASN CA C 13 53.7 0.2 . 1 . . . . 90 ASN CA . 15055 1 1008 . 1 1 90 90 ASN CB C 13 39.0 0.2 . 1 . . . . 90 ASN CB . 15055 1 1009 . 1 1 90 90 ASN N N 15 118.0 0.2 . 1 . . . . 90 ASN N . 15055 1 1010 . 1 1 91 91 SER H H 1 8.02 0.02 . 1 . . . . 91 SER H . 15055 1 1011 . 1 1 91 91 SER HA H 1 4.33 0.02 . 1 . . . . 91 SER HA . 15055 1 1012 . 1 1 91 91 SER HB2 H 1 3.82 0.02 . 2 . . . . 91 SER HB2 . 15055 1 1013 . 1 1 91 91 SER HB3 H 1 3.78 0.02 . 2 . . . . 91 SER HB3 . 15055 1 1014 . 1 1 91 91 SER C C 13 175.0 0.2 . 1 . . . . 91 SER C . 15055 1 1015 . 1 1 91 91 SER CA C 13 59.0 0.2 . 1 . . . . 91 SER CA . 15055 1 1016 . 1 1 91 91 SER CB C 13 64.0 0.2 . 1 . . . . 91 SER CB . 15055 1 1017 . 1 1 91 91 SER N N 15 115.7 0.2 . 1 . . . . 91 SER N . 15055 1 1018 . 1 1 92 92 ARG H H 1 8.13 0.02 . 1 . . . . 92 ARG H . 15055 1 1019 . 1 1 92 92 ARG HA H 1 4.26 0.02 . 1 . . . . 92 ARG HA . 15055 1 1020 . 1 1 92 92 ARG HB2 H 1 1.67 0.02 . 2 . . . . 92 ARG HB2 . 15055 1 1021 . 1 1 92 92 ARG HG2 H 1 1.56 0.02 . 2 . . . . 92 ARG HG2 . 15055 1 1022 . 1 1 92 92 ARG HD2 H 1 3.12 0.02 . 2 . . . . 92 ARG HD2 . 15055 1 1023 . 1 1 92 92 ARG C C 13 176.4 0.2 . 1 . . . . 92 ARG C . 15055 1 1024 . 1 1 92 92 ARG CA C 13 56.7 0.2 . 1 . . . . 92 ARG CA . 15055 1 1025 . 1 1 92 92 ARG CB C 13 30.6 0.2 . 1 . . . . 92 ARG CB . 15055 1 1026 . 1 1 92 92 ARG CG C 13 27.4 0.2 . 1 . . . . 92 ARG CG . 15055 1 1027 . 1 1 92 92 ARG CD C 13 43.6 0.2 . 1 . . . . 92 ARG CD . 15055 1 1028 . 1 1 92 92 ARG N N 15 122.5 0.2 . 1 . . . . 92 ARG N . 15055 1 1029 . 1 1 93 93 ASP H H 1 8.17 0.02 . 1 . . . . 93 ASP H . 15055 1 1030 . 1 1 93 93 ASP HA H 1 4.62 0.02 . 1 . . . . 93 ASP HA . 15055 1 1031 . 1 1 93 93 ASP HB2 H 1 2.55 0.02 . 2 . . . . 93 ASP HB2 . 15055 1 1032 . 1 1 93 93 ASP HB3 H 1 2.63 0.02 . 2 . . . . 93 ASP HB3 . 15055 1 1033 . 1 1 93 93 ASP C C 13 176.9 0.2 . 1 . . . . 93 ASP C . 15055 1 1034 . 1 1 93 93 ASP CA C 13 56.9 0.2 . 1 . . . . 93 ASP CA . 15055 1 1035 . 1 1 93 93 ASP CB C 13 41.2 0.2 . 1 . . . . 93 ASP CB . 15055 1 1036 . 1 1 93 93 ASP N N 15 120.5 0.2 . 1 . . . . 93 ASP N . 15055 1 1037 . 1 1 94 94 THR H H 1 7.91 0.02 . 1 . . . . 94 THR H . 15055 1 1038 . 1 1 94 94 THR HA H 1 4.22 0.02 . 1 . . . . 94 THR HA . 15055 1 1039 . 1 1 94 94 THR HB H 1 4.15 0.02 . 1 . . . . 94 THR HB . 15055 1 1040 . 1 1 94 94 THR HG21 H 1 1.06 0.02 . 1 . . . . 94 THR HG2 . 15055 1 1041 . 1 1 94 94 THR HG22 H 1 1.06 0.02 . 1 . . . . 94 THR HG2 . 15055 1 1042 . 1 1 94 94 THR HG23 H 1 1.06 0.02 . 1 . . . . 94 THR HG2 . 15055 1 1043 . 1 1 94 94 THR CA C 13 62.5 0.2 . 1 . . . . 94 THR CA . 15055 1 1044 . 1 1 94 94 THR CB C 13 69.9 0.2 . 1 . . . . 94 THR CB . 15055 1 1045 . 1 1 94 94 THR CG2 C 13 21.6 0.2 . 1 . . . . 94 THR CG2 . 15055 1 1046 . 1 1 94 94 THR N N 15 113.9 0.2 . 1 . . . . 94 THR N . 15055 1 1047 . 1 1 95 95 LEU H H 1 8.03 0.02 . 1 . . . . 95 LEU H . 15055 1 1048 . 1 1 95 95 LEU HA H 1 4.22 0.02 . 1 . . . . 95 LEU HA . 15055 1 1049 . 1 1 95 95 LEU HB2 H 1 1.45 0.02 . 2 . . . . 95 LEU HB2 . 15055 1 1050 . 1 1 95 95 LEU HB3 H 1 1.39 0.02 . 2 . . . . 95 LEU HB3 . 15055 1 1051 . 1 1 95 95 LEU HG H 1 1.40 0.02 . 1 . . . . 95 LEU HG . 15055 1 1052 . 1 1 95 95 LEU HD11 H 1 0.78 0.02 . 1 . . . . 95 LEU HD1 . 15055 1 1053 . 1 1 95 95 LEU HD12 H 1 0.78 0.02 . 1 . . . . 95 LEU HD1 . 15055 1 1054 . 1 1 95 95 LEU HD13 H 1 0.78 0.02 . 1 . . . . 95 LEU HD1 . 15055 1 1055 . 1 1 95 95 LEU HD21 H 1 0.82 0.02 . 1 . . . . 95 LEU HD2 . 15055 1 1056 . 1 1 95 95 LEU HD22 H 1 0.82 0.02 . 1 . . . . 95 LEU HD2 . 15055 1 1057 . 1 1 95 95 LEU HD23 H 1 0.82 0.02 . 1 . . . . 95 LEU HD2 . 15055 1 1058 . 1 1 95 95 LEU C C 13 177.4 0.2 . 1 . . . . 95 LEU C . 15055 1 1059 . 1 1 95 95 LEU CA C 13 55.7 0.2 . 1 . . . . 95 LEU CA . 15055 1 1060 . 1 1 95 95 LEU CB C 13 42.3 0.2 . 1 . . . . 95 LEU CB . 15055 1 1061 . 1 1 95 95 LEU CG C 13 27.0 0.2 . 1 . . . . 95 LEU CG . 15055 1 1062 . 1 1 95 95 LEU CD1 C 13 23.5 0.2 . 1 . . . . 95 LEU CD1 . 15055 1 1063 . 1 1 95 95 LEU CD2 C 13 24.7 0.2 . 1 . . . . 95 LEU CD2 . 15055 1 1064 . 1 1 95 95 LEU N N 15 123.8 0.2 . 1 . . . . 95 LEU N . 15055 1 1065 . 1 1 96 96 TYR H H 1 8.02 0.02 . 1 . . . . 96 TYR H . 15055 1 1066 . 1 1 96 96 TYR HA H 1 4.49 0.02 . 1 . . . . 96 TYR HA . 15055 1 1067 . 1 1 96 96 TYR HB2 H 1 3.00 0.02 . 2 . . . . 96 TYR HB2 . 15055 1 1068 . 1 1 96 96 TYR HB3 H 1 2.85 0.02 . 2 . . . . 96 TYR HB3 . 15055 1 1069 . 1 1 96 96 TYR HD1 H 1 7.08 0.02 . 3 . . . . 96 TYR HD1 . 15055 1 1070 . 1 1 96 96 TYR HE1 H 1 6.85 0.02 . 3 . . . . 96 TYR HE1 . 15055 1 1071 . 1 1 96 96 TYR C C 13 175.8 0.2 . 1 . . . . 96 TYR C . 15055 1 1072 . 1 1 96 96 TYR CA C 13 57.9 0.2 . 1 . . . . 96 TYR CA . 15055 1 1073 . 1 1 96 96 TYR CB C 13 38.5 0.2 . 1 . . . . 96 TYR CB . 15055 1 1074 . 1 1 96 96 TYR CD1 C 13 133.7 0.2 . 3 . . . . 96 TYR CD1 . 15055 1 1075 . 1 1 96 96 TYR CE1 C 13 118.8 0.2 . 3 . . . . 96 TYR CE1 . 15055 1 1076 . 1 1 96 96 TYR N N 15 119.9 0.2 . 1 . . . . 96 TYR N . 15055 1 1077 . 1 1 97 97 GLN H H 1 8.07 0.02 . 1 . . . . 97 GLN H . 15055 1 1078 . 1 1 97 97 GLN HA H 1 4.25 0.02 . 1 . . . . 97 GLN HA . 15055 1 1079 . 1 1 97 97 GLN HB2 H 1 1.95 0.02 . 2 . . . . 97 GLN HB2 . 15055 1 1080 . 1 1 97 97 GLN HB3 H 1 1.83 0.02 . 2 . . . . 97 GLN HB3 . 15055 1 1081 . 1 1 97 97 GLN HG2 H 1 2.22 0.02 . 2 . . . . 97 GLN HG2 . 15055 1 1082 . 1 1 97 97 GLN CA C 13 55.8 0.2 . 1 . . . . 97 GLN CA . 15055 1 1083 . 1 1 97 97 GLN CB C 13 29.5 0.2 . 1 . . . . 97 GLN CB . 15055 1 1084 . 1 1 97 97 GLN CG C 13 33.9 0.2 . 1 . . . . 97 GLN CG . 15055 1 1085 . 1 1 97 97 GLN N N 15 121.5 0.2 . 1 . . . . 97 GLN N . 15055 1 1086 . 1 1 98 98 ASN H H 1 8.34 0.02 . 1 . . . . 98 ASN H . 15055 1 1087 . 1 1 98 98 ASN HA H 1 4.70 0.02 . 1 . . . . 98 ASN HA . 15055 1 1088 . 1 1 98 98 ASN HB2 H 1 2.75 0.02 . 2 . . . . 98 ASN HB2 . 15055 1 1089 . 1 1 98 98 ASN HB3 H 1 2.85 0.02 . 2 . . . . 98 ASN HB3 . 15055 1 1090 . 1 1 98 98 ASN C C 13 174.9 0.2 . 1 . . . . 98 ASN C . 15055 1 1091 . 1 1 98 98 ASN CA C 13 53.3 0.2 . 1 . . . . 98 ASN CA . 15055 1 1092 . 1 1 98 98 ASN CB C 13 39.2 0.2 . 1 . . . . 98 ASN CB . 15055 1 1093 . 1 1 98 98 ASN N N 15 119.9 0.2 . 1 . . . . 98 ASN N . 15055 1 1094 . 1 1 99 99 SER H H 1 8.26 0.02 . 1 . . . . 99 SER H . 15055 1 1095 . 1 1 99 99 SER HA H 1 4.42 0.02 . 1 . . . . 99 SER HA . 15055 1 1096 . 1 1 99 99 SER HB2 H 1 3.84 0.02 . 2 . . . . 99 SER HB2 . 15055 1 1097 . 1 1 99 99 SER C C 13 174.2 0.2 . 1 . . . . 99 SER C . 15055 1 1098 . 1 1 99 99 SER CA C 13 58.5 0.2 . 1 . . . . 99 SER CA . 15055 1 1099 . 1 1 99 99 SER CB C 13 64.3 0.2 . 1 . . . . 99 SER CB . 15055 1 1100 . 1 1 99 99 SER N N 15 116.6 0.2 . 1 . . . . 99 SER N . 15055 1 1101 . 1 1 100 100 GLY H H 1 8.01 0.02 . 1 . . . . 100 GLY H . 15055 1 1102 . 1 1 100 100 GLY HA2 H 1 3.55 0.02 . 2 . . . . 100 GLY HA2 . 15055 1 1103 . 1 1 100 100 GLY CA C 13 46.2 0.2 . 1 . . . . 100 GLY CA . 15055 1 1104 . 1 1 100 100 GLY N N 15 117.1 0.2 . 1 . . . . 100 GLY N . 15055 1 stop_ save_