data_15758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15758 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of the 4FNI-5FNI module pair from human fibronectin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-06 _Entry.Accession_date 2008-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Ioannis Vakonakis . . . 15758 2 Iain Campbell . D. . 15758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 15758 '15N chemical shifts' 96 15758 '1H chemical shifts' 98 15758 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 . . 2009-06-01 2008-05-06 update BMRB 'complete entry citation' 15758 1 . . 2009-04-15 2008-05-06 original author 'original release' 15758 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1fbr . 15758 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15758 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19366708 _Citation.Full_citation . _Citation.Title 'Motogenic sites in human fibronectin are masked by long range interactions' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 23 _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 15668 _Citation.Page_last 15675 _Citation.Year 2009 _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 Ioannis Vakonakis . . . 15758 1 2 David Staunton . . . 15758 1 3 Ian Ellis . R. . 15758 1 4 Peter Sarkies . . . 15758 1 5 Aleksandra Flanagan . . . 15758 1 6 Ana Schor . M. . 15758 1 7 Seth Schor . L. . 15758 1 8 Iain Campbell . D. . 15758 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cell migration' 15758 1 fibronectin 15758 1 'protein interactions' 15758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15758 _Assembly.ID 1 _Assembly.Name 4-5F1 _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 no _Assembly.Thiol_state . _Assembly.Molecular_mass 10519.6 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $4F15F1 A . yes native no no 1 . . 15758 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 protein 1 CYS 4 4 SG . 1 protein 1 CYS 33 33 SG . protein 4 CYS SG . protein 33 CYS SG 15758 1 2 disulphide 1 . 1 protein 1 CYS 31 31 SG . 1 protein 1 CYS 43 43 SG . protein 31 CYS SG . protein 43 CYS SG 15758 1 3 disulphide 1 . 1 protein 1 CYS 49 49 SG . 1 protein 1 CYS 78 78 SG . protein 49 CYS SG . protein 78 CYS SG 15758 1 4 disulphide 1 . 1 protein 1 CYS 76 76 SG . 1 protein 1 CYS 88 88 SG . protein 76 CYS SG . protein 88 CYS SG 15758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4F15F1 _Entity.Sf_category entity _Entity.Sf_framecode 4F15F1 _Entity.Entry_ID 15758 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 4F15F1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEKCFDHAAGTSYVVGETWE KPYQGWMMVDCTCLGEGSGR ITCTSRNRCNDQDTRTSYRI GDTWSKKDNRGNLLQCICTG NGRGEWKCERHTS ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'fourth and fifth type I domains from human fibronectin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10519.6 _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 1FBR . "Fourth And Fifth Fibronectin Type I Module Pair" . . . . . 100.00 93 100.00 100.00 7.32e-61 . . . . 15758 1 2 no PDB 2RKY . "Crystal Structure Of The Fourth And Fifth Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-1" . . . . . 100.00 93 100.00 100.00 7.32e-61 . . . . 15758 1 3 no PDB 2RL0 . "Crystal Structure Of The Fourth And Fifth Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-5" . . . . . 95.70 89 100.00 100.00 1.14e-57 . . . . 15758 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Extracellular matrix component' 15758 1 'Structural protein' 15758 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 . ALA . 15758 1 2 . GLU . 15758 1 3 . LYS . 15758 1 4 . CYS . 15758 1 5 . PHE . 15758 1 6 . ASP . 15758 1 7 . HIS . 15758 1 8 . ALA . 15758 1 9 . ALA . 15758 1 10 . GLY . 15758 1 11 . THR . 15758 1 12 . SER . 15758 1 13 . TYR . 15758 1 14 . VAL . 15758 1 15 . VAL . 15758 1 16 . GLY . 15758 1 17 . GLU . 15758 1 18 . THR . 15758 1 19 . TRP . 15758 1 20 . GLU . 15758 1 21 . LYS . 15758 1 22 . PRO . 15758 1 23 . TYR . 15758 1 24 . GLN . 15758 1 25 . GLY . 15758 1 26 . TRP . 15758 1 27 . MET . 15758 1 28 . MET . 15758 1 29 . VAL . 15758 1 30 . ASP . 15758 1 31 . CYS . 15758 1 32 . THR . 15758 1 33 . CYS . 15758 1 34 . LEU . 15758 1 35 . GLY . 15758 1 36 . GLU . 15758 1 37 . GLY . 15758 1 38 . SER . 15758 1 39 . GLY . 15758 1 40 . ARG . 15758 1 41 . ILE . 15758 1 42 . THR . 15758 1 43 . CYS . 15758 1 44 . THR . 15758 1 45 . SER . 15758 1 46 . ARG . 15758 1 47 . ASN . 15758 1 48 . ARG . 15758 1 49 . CYS . 15758 1 50 . ASN . 15758 1 51 . ASP . 15758 1 52 . GLN . 15758 1 53 . ASP . 15758 1 54 . THR . 15758 1 55 . ARG . 15758 1 56 . THR . 15758 1 57 . SER . 15758 1 58 . TYR . 15758 1 59 . ARG . 15758 1 60 . ILE . 15758 1 61 . GLY . 15758 1 62 . ASP . 15758 1 63 . THR . 15758 1 64 . TRP . 15758 1 65 . SER . 15758 1 66 . LYS . 15758 1 67 . LYS . 15758 1 68 . ASP . 15758 1 69 . ASN . 15758 1 70 . ARG . 15758 1 71 . GLY . 15758 1 72 . ASN . 15758 1 73 . LEU . 15758 1 74 . LEU . 15758 1 75 . GLN . 15758 1 76 . CYS . 15758 1 77 . ILE . 15758 1 78 . CYS . 15758 1 79 . THR . 15758 1 80 . GLY . 15758 1 81 . ASN . 15758 1 82 . GLY . 15758 1 83 . ARG . 15758 1 84 . GLY . 15758 1 85 . GLU . 15758 1 86 . TRP . 15758 1 87 . LYS . 15758 1 88 . CYS . 15758 1 89 . GLU . 15758 1 90 . ARG . 15758 1 91 . HIS . 15758 1 92 . THR . 15758 1 93 . SER . 15758 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 . ALA 1 1 15758 1 . GLU 2 2 15758 1 . LYS 3 3 15758 1 . CYS 4 4 15758 1 . PHE 5 5 15758 1 . ASP 6 6 15758 1 . HIS 7 7 15758 1 . ALA 8 8 15758 1 . ALA 9 9 15758 1 . GLY 10 10 15758 1 . THR 11 11 15758 1 . SER 12 12 15758 1 . TYR 13 13 15758 1 . VAL 14 14 15758 1 . VAL 15 15 15758 1 . GLY 16 16 15758 1 . GLU 17 17 15758 1 . THR 18 18 15758 1 . TRP 19 19 15758 1 . GLU 20 20 15758 1 . LYS 21 21 15758 1 . PRO 22 22 15758 1 . TYR 23 23 15758 1 . GLN 24 24 15758 1 . GLY 25 25 15758 1 . TRP 26 26 15758 1 . MET 27 27 15758 1 . MET 28 28 15758 1 . VAL 29 29 15758 1 . ASP 30 30 15758 1 . CYS 31 31 15758 1 . THR 32 32 15758 1 . CYS 33 33 15758 1 . LEU 34 34 15758 1 . GLY 35 35 15758 1 . GLU 36 36 15758 1 . GLY 37 37 15758 1 . SER 38 38 15758 1 . GLY 39 39 15758 1 . ARG 40 40 15758 1 . ILE 41 41 15758 1 . THR 42 42 15758 1 . CYS 43 43 15758 1 . THR 44 44 15758 1 . SER 45 45 15758 1 . ARG 46 46 15758 1 . ASN 47 47 15758 1 . ARG 48 48 15758 1 . CYS 49 49 15758 1 . ASN 50 50 15758 1 . ASP 51 51 15758 1 . GLN 52 52 15758 1 . ASP 53 53 15758 1 . THR 54 54 15758 1 . ARG 55 55 15758 1 . THR 56 56 15758 1 . SER 57 57 15758 1 . TYR 58 58 15758 1 . ARG 59 59 15758 1 . ILE 60 60 15758 1 . GLY 61 61 15758 1 . ASP 62 62 15758 1 . THR 63 63 15758 1 . TRP 64 64 15758 1 . SER 65 65 15758 1 . LYS 66 66 15758 1 . LYS 67 67 15758 1 . ASP 68 68 15758 1 . ASN 69 69 15758 1 . ARG 70 70 15758 1 . GLY 71 71 15758 1 . ASN 72 72 15758 1 . LEU 73 73 15758 1 . LEU 74 74 15758 1 . GLN 75 75 15758 1 . CYS 76 76 15758 1 . ILE 77 77 15758 1 . CYS 78 78 15758 1 . THR 79 79 15758 1 . GLY 80 80 15758 1 . ASN 81 81 15758 1 . GLY 82 82 15758 1 . ARG 83 83 15758 1 . GLY 84 84 15758 1 . GLU 85 85 15758 1 . TRP 86 86 15758 1 . LYS 87 87 15758 1 . CYS 88 88 15758 1 . GLU 89 89 15758 1 . ARG 90 90 15758 1 . HIS 91 91 15758 1 . THR 92 92 15758 1 . SER 93 93 15758 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 15758 _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 $4F15F1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FN1 . . . . 15758 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 15758 _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 $4F15F1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPIC9K . . . . . . 15758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15758 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 4F15F1 '[U-98% 13C; U-98% 15N]' . . 1 $4F15F1 . . 0.2 . . mM . . . . 15758 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15758 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15758 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15758 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15758 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15758 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15758 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 115 . mM 15758 1 pH 6 0.05 pH 15758 1 pressure 1 . atm 15758 1 temperature 303 . K 15758 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15758 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details 'Rev 2007.068.09.07' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15758 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15758 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15758 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15758 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15758 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15758 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15758 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15758 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 15758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15758 _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 DMX . 500 . . . 15758 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 15758 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15758 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15758 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15758 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 15758 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 15758 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15758 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15758 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 15758 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Estimated from spectral resolution' _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' . . . 15758 1 2 '3D CBCA(CO)NH' . . . 15758 1 3 '3D HNCACB' . . . 15758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA CA C 13 51.79 0.20 . 1 . . . . 1 ALA CA . 15758 1 2 . 1 1 1 1 ALA CB C 13 19.79 0.20 . 1 . . . . 1 ALA CB . 15758 1 3 . 1 1 2 2 GLU H H 1 8.70 0.02 . 1 . . . . 2 GLU H . 15758 1 4 . 1 1 2 2 GLU CA C 13 56.89 0.20 . 1 . . . . 2 GLU CA . 15758 1 5 . 1 1 2 2 GLU CB C 13 30.63 0.20 . 1 . . . . 2 GLU CB . 15758 1 6 . 1 1 2 2 GLU N N 15 121.91 0.10 . 1 . . . . 2 GLU N . 15758 1 7 . 1 1 3 3 LYS H H 1 8.02 0.02 . 1 . . . . 3 LYS H . 15758 1 8 . 1 1 3 3 LYS CA C 13 55.09 0.20 . 1 . . . . 3 LYS CA . 15758 1 9 . 1 1 3 3 LYS CB C 13 36.58 0.20 . 1 . . . . 3 LYS CB . 15758 1 10 . 1 1 3 3 LYS N N 15 120.07 0.10 . 1 . . . . 3 LYS N . 15758 1 11 . 1 1 4 4 CYS H H 1 9.09 0.02 . 1 . . . . 4 CYS H . 15758 1 12 . 1 1 4 4 CYS CA C 13 56.62 0.20 . 1 . . . . 4 CYS CA . 15758 1 13 . 1 1 4 4 CYS CB C 13 43.32 0.20 . 1 . . . . 4 CYS CB . 15758 1 14 . 1 1 4 4 CYS N N 15 115.40 0.10 . 1 . . . . 4 CYS N . 15758 1 15 . 1 1 5 5 PHE H H 1 9.14 0.02 . 1 . . . . 5 PHE H . 15758 1 16 . 1 1 5 5 PHE CA C 13 57.55 0.20 . 1 . . . . 5 PHE CA . 15758 1 17 . 1 1 5 5 PHE CB C 13 41.40 0.20 . 1 . . . . 5 PHE CB . 15758 1 18 . 1 1 5 5 PHE N N 15 121.90 0.10 . 1 . . . . 5 PHE N . 15758 1 19 . 1 1 6 6 ASP H H 1 8.20 0.02 . 1 . . . . 6 ASP H . 15758 1 20 . 1 1 6 6 ASP CA C 13 52.38 0.20 . 1 . . . . 6 ASP CA . 15758 1 21 . 1 1 6 6 ASP CB C 13 41.47 0.20 . 1 . . . . 6 ASP CB . 15758 1 22 . 1 1 6 6 ASP N N 15 123.68 0.10 . 1 . . . . 6 ASP N . 15758 1 23 . 1 1 7 7 HIS H H 1 8.50 0.02 . 1 . . . . 7 HIS H . 15758 1 24 . 1 1 7 7 HIS CA C 13 59.14 0.20 . 1 . . . . 7 HIS CA . 15758 1 25 . 1 1 7 7 HIS CB C 13 29.98 0.20 . 1 . . . . 7 HIS CB . 15758 1 26 . 1 1 7 7 HIS N N 15 123.39 0.10 . 1 . . . . 7 HIS N . 15758 1 27 . 1 1 8 8 ALA H H 1 8.25 0.02 . 1 . . . . 8 ALA H . 15758 1 28 . 1 1 8 8 ALA CA C 13 54.47 0.20 . 1 . . . . 8 ALA CA . 15758 1 29 . 1 1 8 8 ALA CB C 13 18.45 0.20 . 1 . . . . 8 ALA CB . 15758 1 30 . 1 1 8 8 ALA N N 15 121.91 0.10 . 1 . . . . 8 ALA N . 15758 1 31 . 1 1 9 9 ALA H H 1 7.46 0.02 . 1 . . . . 9 ALA H . 15758 1 32 . 1 1 9 9 ALA CA C 13 51.95 0.20 . 1 . . . . 9 ALA CA . 15758 1 33 . 1 1 9 9 ALA CB C 13 20.53 0.20 . 1 . . . . 9 ALA CB . 15758 1 34 . 1 1 9 9 ALA N N 15 118.44 0.10 . 1 . . . . 9 ALA N . 15758 1 35 . 1 1 10 10 GLY H H 1 8.12 0.02 . 1 . . . . 10 GLY H . 15758 1 36 . 1 1 10 10 GLY CA C 13 46.40 0.20 . 1 . . . . 10 GLY CA . 15758 1 37 . 1 1 10 10 GLY N N 15 107.82 0.10 . 1 . . . . 10 GLY N . 15758 1 38 . 1 1 11 11 THR H H 1 7.24 0.02 . 1 . . . . 11 THR H . 15758 1 39 . 1 1 11 11 THR CA C 13 59.90 0.20 . 1 . . . . 11 THR CA . 15758 1 40 . 1 1 11 11 THR CB C 13 71.24 0.20 . 1 . . . . 11 THR CB . 15758 1 41 . 1 1 11 11 THR N N 15 110.91 0.10 . 1 . . . . 11 THR N . 15758 1 42 . 1 1 12 12 SER H H 1 7.75 0.02 . 1 . . . . 12 SER H . 15758 1 43 . 1 1 12 12 SER CA C 13 56.45 0.20 . 1 . . . . 12 SER CA . 15758 1 44 . 1 1 12 12 SER CB C 13 66.46 0.20 . 1 . . . . 12 SER CB . 15758 1 45 . 1 1 12 12 SER N N 15 115.54 0.10 . 1 . . . . 12 SER N . 15758 1 46 . 1 1 13 13 TYR H H 1 8.31 0.02 . 1 . . . . 13 TYR H . 15758 1 47 . 1 1 13 13 TYR CA C 13 56.64 0.20 . 1 . . . . 13 TYR CA . 15758 1 48 . 1 1 13 13 TYR CB C 13 43.66 0.20 . 1 . . . . 13 TYR CB . 15758 1 49 . 1 1 13 13 TYR N N 15 119.58 0.10 . 1 . . . . 13 TYR N . 15758 1 50 . 1 1 14 14 VAL H H 1 8.93 0.02 . 1 . . . . 14 VAL H . 15758 1 51 . 1 1 14 14 VAL CA C 13 60.50 0.20 . 1 . . . . 14 VAL CA . 15758 1 52 . 1 1 14 14 VAL CB C 13 33.66 0.20 . 1 . . . . 14 VAL CB . 15758 1 53 . 1 1 14 14 VAL N N 15 116.74 0.10 . 1 . . . . 14 VAL N . 15758 1 54 . 1 1 15 15 VAL H H 1 7.75 0.02 . 1 . . . . 15 VAL H . 15758 1 55 . 1 1 15 15 VAL CA C 13 65.36 0.20 . 1 . . . . 15 VAL CA . 15758 1 56 . 1 1 15 15 VAL CB C 13 31.57 0.20 . 1 . . . . 15 VAL CB . 15758 1 57 . 1 1 15 15 VAL N N 15 121.50 0.10 . 1 . . . . 15 VAL N . 15758 1 58 . 1 1 16 16 GLY H H 1 9.16 0.02 . 1 . . . . 16 GLY H . 15758 1 59 . 1 1 16 16 GLY CA C 13 44.67 0.20 . 1 . . . . 16 GLY CA . 15758 1 60 . 1 1 16 16 GLY N N 15 115.95 0.10 . 1 . . . . 16 GLY N . 15758 1 61 . 1 1 17 17 GLU H H 1 8.44 0.02 . 1 . . . . 17 GLU H . 15758 1 62 . 1 1 17 17 GLU CA C 13 57.94 0.20 . 1 . . . . 17 GLU CA . 15758 1 63 . 1 1 17 17 GLU CB C 13 31.36 0.20 . 1 . . . . 17 GLU CB . 15758 1 64 . 1 1 17 17 GLU N N 15 122.78 0.10 . 1 . . . . 17 GLU N . 15758 1 65 . 1 1 18 18 THR H H 1 8.27 0.02 . 1 . . . . 18 THR H . 15758 1 66 . 1 1 18 18 THR CA C 13 59.77 0.20 . 1 . . . . 18 THR CA . 15758 1 67 . 1 1 18 18 THR CB C 13 72.06 0.20 . 1 . . . . 18 THR CB . 15758 1 68 . 1 1 18 18 THR N N 15 114.52 0.10 . 1 . . . . 18 THR N . 15758 1 69 . 1 1 19 19 TRP H H 1 8.58 0.02 . 1 . . . . 19 TRP H . 15758 1 70 . 1 1 19 19 TRP HE1 H 1 9.46 0.02 . 1 . . . . 19 TRP HE1 . 15758 1 71 . 1 1 19 19 TRP CA C 13 56.93 0.20 . 1 . . . . 19 TRP CA . 15758 1 72 . 1 1 19 19 TRP CB C 13 31.46 0.20 . 1 . . . . 19 TRP CB . 15758 1 73 . 1 1 19 19 TRP N N 15 123.68 0.10 . 1 . . . . 19 TRP N . 15758 1 74 . 1 1 19 19 TRP NE1 N 15 126.72 0.10 . 1 . . . . 19 TRP NE1 . 15758 1 75 . 1 1 20 20 GLU H H 1 8.40 0.02 . 1 . . . . 20 GLU H . 15758 1 76 . 1 1 20 20 GLU CA C 13 53.73 0.20 . 1 . . . . 20 GLU CA . 15758 1 77 . 1 1 20 20 GLU CB C 13 32.44 0.20 . 1 . . . . 20 GLU CB . 15758 1 78 . 1 1 20 20 GLU N N 15 119.06 0.10 . 1 . . . . 20 GLU N . 15758 1 79 . 1 1 21 21 LYS H H 1 8.69 0.02 . 1 . . . . 21 LYS H . 15758 1 80 . 1 1 21 21 LYS CA C 13 53.48 0.20 . 1 . . . . 21 LYS CA . 15758 1 81 . 1 1 21 21 LYS CB C 13 35.88 0.20 . 1 . . . . 21 LYS CB . 15758 1 82 . 1 1 21 21 LYS N N 15 121.42 0.10 . 1 . . . . 21 LYS N . 15758 1 83 . 1 1 22 22 PRO CA C 13 62.67 0.20 . 1 . . . . 22 PRO CA . 15758 1 84 . 1 1 22 22 PRO CB C 13 32.55 0.20 . 1 . . . . 22 PRO CB . 15758 1 85 . 1 1 23 23 TYR H H 1 8.49 0.02 . 1 . . . . 23 TYR H . 15758 1 86 . 1 1 23 23 TYR CA C 13 56.93 0.20 . 1 . . . . 23 TYR CA . 15758 1 87 . 1 1 23 23 TYR CB C 13 41.59 0.20 . 1 . . . . 23 TYR CB . 15758 1 88 . 1 1 23 23 TYR N N 15 123.21 0.10 . 1 . . . . 23 TYR N . 15758 1 89 . 1 1 24 24 GLN H H 1 8.12 0.02 . 1 . . . . 24 GLN H . 15758 1 90 . 1 1 24 24 GLN CA C 13 56.01 0.20 . 1 . . . . 24 GLN CA . 15758 1 91 . 1 1 24 24 GLN CB C 13 27.10 0.20 . 1 . . . . 24 GLN CB . 15758 1 92 . 1 1 24 24 GLN N N 15 120.27 0.10 . 1 . . . . 24 GLN N . 15758 1 93 . 1 1 25 25 GLY H H 1 8.49 0.02 . 1 . . . . 25 GLY H . 15758 1 94 . 1 1 25 25 GLY CA C 13 47.29 0.20 . 1 . . . . 25 GLY CA . 15758 1 95 . 1 1 25 25 GLY N N 15 108.77 0.10 . 1 . . . . 25 GLY N . 15758 1 96 . 1 1 26 26 TRP H H 1 7.32 0.02 . 1 . . . . 26 TRP H . 15758 1 97 . 1 1 26 26 TRP HE1 H 1 10.31 0.02 . 1 . . . . 26 TRP HE1 . 15758 1 98 . 1 1 26 26 TRP CA C 13 55.97 0.20 . 1 . . . . 26 TRP CA . 15758 1 99 . 1 1 26 26 TRP CB C 13 30.32 0.20 . 1 . . . . 26 TRP CB . 15758 1 100 . 1 1 26 26 TRP N N 15 120.78 0.10 . 1 . . . . 26 TRP N . 15758 1 101 . 1 1 26 26 TRP NE1 N 15 129.56 0.10 . 1 . . . . 26 TRP NE1 . 15758 1 102 . 1 1 27 27 MET H H 1 7.01 0.02 . 1 . . . . 27 MET H . 15758 1 103 . 1 1 27 27 MET CA C 13 56.18 0.20 . 1 . . . . 27 MET CA . 15758 1 104 . 1 1 27 27 MET CB C 13 33.30 0.20 . 1 . . . . 27 MET CB . 15758 1 105 . 1 1 27 27 MET N N 15 119.85 0.10 . 1 . . . . 27 MET N . 15758 1 106 . 1 1 28 28 MET H H 1 7.28 0.02 . 1 . . . . 28 MET H . 15758 1 107 . 1 1 28 28 MET CA C 13 53.75 0.20 . 1 . . . . 28 MET CA . 15758 1 108 . 1 1 28 28 MET CB C 13 34.28 0.20 . 1 . . . . 28 MET CB . 15758 1 109 . 1 1 28 28 MET N N 15 118.33 0.10 . 1 . . . . 28 MET N . 15758 1 110 . 1 1 29 29 VAL H H 1 8.62 0.02 . 1 . . . . 29 VAL H . 15758 1 111 . 1 1 29 29 VAL CA C 13 59.11 0.20 . 1 . . . . 29 VAL CA . 15758 1 112 . 1 1 29 29 VAL CB C 13 34.87 0.20 . 1 . . . . 29 VAL CB . 15758 1 113 . 1 1 29 29 VAL N N 15 113.40 0.10 . 1 . . . . 29 VAL N . 15758 1 114 . 1 1 30 30 ASP H H 1 7.94 0.02 . 1 . . . . 30 ASP H . 15758 1 115 . 1 1 30 30 ASP CA C 13 53.95 0.20 . 1 . . . . 30 ASP CA . 15758 1 116 . 1 1 30 30 ASP CB C 13 43.57 0.20 . 1 . . . . 30 ASP CB . 15758 1 117 . 1 1 30 30 ASP N N 15 118.36 0.10 . 1 . . . . 30 ASP N . 15758 1 118 . 1 1 31 31 CYS H H 1 9.07 0.02 . 1 . . . . 31 CYS H . 15758 1 119 . 1 1 31 31 CYS CA C 13 54.83 0.20 . 1 . . . . 31 CYS CA . 15758 1 120 . 1 1 31 31 CYS CB C 13 45.97 0.20 . 1 . . . . 31 CYS CB . 15758 1 121 . 1 1 31 31 CYS N N 15 123.76 0.10 . 1 . . . . 31 CYS N . 15758 1 122 . 1 1 32 32 THR H H 1 8.44 0.02 . 1 . . . . 32 THR H . 15758 1 123 . 1 1 32 32 THR CA C 13 60.61 0.20 . 1 . . . . 32 THR CA . 15758 1 124 . 1 1 32 32 THR CB C 13 71.87 0.20 . 1 . . . . 32 THR CB . 15758 1 125 . 1 1 32 32 THR N N 15 114.93 0.10 . 1 . . . . 32 THR N . 15758 1 126 . 1 1 33 33 CYS H H 1 8.07 0.02 . 1 . . . . 33 CYS H . 15758 1 127 . 1 1 33 33 CYS CA C 13 53.84 0.20 . 1 . . . . 33 CYS CA . 15758 1 128 . 1 1 33 33 CYS CB C 13 36.89 0.20 . 1 . . . . 33 CYS CB . 15758 1 129 . 1 1 33 33 CYS N N 15 123.16 0.10 . 1 . . . . 33 CYS N . 15758 1 130 . 1 1 34 34 LEU H H 1 9.16 0.02 . 1 . . . . 34 LEU H . 15758 1 131 . 1 1 34 34 LEU CA C 13 55.41 0.20 . 1 . . . . 34 LEU CA . 15758 1 132 . 1 1 34 34 LEU CB C 13 43.09 0.20 . 1 . . . . 34 LEU CB . 15758 1 133 . 1 1 34 34 LEU N N 15 131.31 0.10 . 1 . . . . 34 LEU N . 15758 1 134 . 1 1 35 35 GLY H H 1 8.53 0.02 . 1 . . . . 35 GLY H . 15758 1 135 . 1 1 35 35 GLY CA C 13 47.32 0.20 . 1 . . . . 35 GLY CA . 15758 1 136 . 1 1 35 35 GLY N N 15 106.23 0.10 . 1 . . . . 35 GLY N . 15758 1 137 . 1 1 36 36 GLU H H 1 8.33 0.02 . 1 . . . . 36 GLU H . 15758 1 138 . 1 1 36 36 GLU CA C 13 57.25 0.20 . 1 . . . . 36 GLU CA . 15758 1 139 . 1 1 36 36 GLU CB C 13 27.89 0.20 . 1 . . . . 36 GLU CB . 15758 1 140 . 1 1 36 36 GLU N N 15 122.59 0.10 . 1 . . . . 36 GLU N . 15758 1 141 . 1 1 37 37 GLY H H 1 9.72 0.02 . 1 . . . . 37 GLY H . 15758 1 142 . 1 1 37 37 GLY CA C 13 46.05 0.20 . 1 . . . . 37 GLY CA . 15758 1 143 . 1 1 37 37 GLY N N 15 111.18 0.10 . 1 . . . . 37 GLY N . 15758 1 144 . 1 1 38 38 SER H H 1 8.03 0.02 . 1 . . . . 38 SER H . 15758 1 145 . 1 1 38 38 SER CA C 13 57.63 0.20 . 1 . . . . 38 SER CA . 15758 1 146 . 1 1 38 38 SER CB C 13 64.42 0.20 . 1 . . . . 38 SER CB . 15758 1 147 . 1 1 38 38 SER N N 15 115.14 0.10 . 1 . . . . 38 SER N . 15758 1 148 . 1 1 39 39 GLY H H 1 9.07 0.02 . 1 . . . . 39 GLY H . 15758 1 149 . 1 1 39 39 GLY CA C 13 47.23 0.20 . 1 . . . . 39 GLY CA . 15758 1 150 . 1 1 39 39 GLY N N 15 115.19 0.10 . 1 . . . . 39 GLY N . 15758 1 151 . 1 1 40 40 ARG H H 1 8.80 0.02 . 1 . . . . 40 ARG H . 15758 1 152 . 1 1 40 40 ARG CA C 13 57.81 0.20 . 1 . . . . 40 ARG CA . 15758 1 153 . 1 1 40 40 ARG CB C 13 31.59 0.20 . 1 . . . . 40 ARG CB . 15758 1 154 . 1 1 40 40 ARG N N 15 121.81 0.10 . 1 . . . . 40 ARG N . 15758 1 155 . 1 1 41 41 ILE H H 1 8.69 0.02 . 1 . . . . 41 ILE H . 15758 1 156 . 1 1 41 41 ILE CA C 13 60.65 0.20 . 1 . . . . 41 ILE CA . 15758 1 157 . 1 1 41 41 ILE CB C 13 41.64 0.20 . 1 . . . . 41 ILE CB . 15758 1 158 . 1 1 41 41 ILE N N 15 126.89 0.10 . 1 . . . . 41 ILE N . 15758 1 159 . 1 1 42 42 THR H H 1 8.30 0.02 . 1 . . . . 42 THR H . 15758 1 160 . 1 1 42 42 THR CA C 13 59.66 0.20 . 1 . . . . 42 THR CA . 15758 1 161 . 1 1 42 42 THR CB C 13 70.81 0.20 . 1 . . . . 42 THR CB . 15758 1 162 . 1 1 42 42 THR N N 15 120.12 0.10 . 1 . . . . 42 THR N . 15758 1 163 . 1 1 43 43 CYS H H 1 8.57 0.02 . 1 . . . . 43 CYS H . 15758 1 164 . 1 1 43 43 CYS CA C 13 55.21 0.20 . 1 . . . . 43 CYS CA . 15758 1 165 . 1 1 43 43 CYS CB C 13 48.59 0.20 . 1 . . . . 43 CYS CB . 15758 1 166 . 1 1 43 43 CYS N N 15 123.68 0.10 . 1 . . . . 43 CYS N . 15758 1 167 . 1 1 44 44 THR H H 1 8.88 0.02 . 1 . . . . 44 THR H . 15758 1 168 . 1 1 44 44 THR CA C 13 59.78 0.20 . 1 . . . . 44 THR CA . 15758 1 169 . 1 1 44 44 THR CB C 13 70.20 0.20 . 1 . . . . 44 THR CB . 15758 1 170 . 1 1 44 44 THR N N 15 115.07 0.10 . 1 . . . . 44 THR N . 15758 1 171 . 1 1 45 45 SER CA C 13 58.09 0.20 . 1 . . . . 45 SER CA . 15758 1 172 . 1 1 45 45 SER CB C 13 64.03 0.20 . 1 . . . . 45 SER CB . 15758 1 173 . 1 1 46 46 ARG H H 1 8.43 0.02 . 1 . . . . 46 ARG H . 15758 1 174 . 1 1 46 46 ARG CA C 13 58.93 0.20 . 1 . . . . 46 ARG CA . 15758 1 175 . 1 1 46 46 ARG CB C 13 30.89 0.20 . 1 . . . . 46 ARG CB . 15758 1 176 . 1 1 46 46 ARG N N 15 122.33 0.10 . 1 . . . . 46 ARG N . 15758 1 177 . 1 1 47 47 ASN H H 1 8.67 0.02 . 1 . . . . 47 ASN H . 15758 1 178 . 1 1 47 47 ASN CA C 13 52.12 0.20 . 1 . . . . 47 ASN CA . 15758 1 179 . 1 1 47 47 ASN CB C 13 38.85 0.20 . 1 . . . . 47 ASN CB . 15758 1 180 . 1 1 47 47 ASN N N 15 117.05 0.10 . 1 . . . . 47 ASN N . 15758 1 181 . 1 1 48 48 ARG H H 1 7.50 0.02 . 1 . . . . 48 ARG H . 15758 1 182 . 1 1 48 48 ARG CA C 13 52.81 0.20 . 1 . . . . 48 ARG CA . 15758 1 183 . 1 1 48 48 ARG CB C 13 33.01 0.20 . 1 . . . . 48 ARG CB . 15758 1 184 . 1 1 48 48 ARG N N 15 116.83 0.10 . 1 . . . . 48 ARG N . 15758 1 185 . 1 1 49 49 CYS H H 1 8.75 0.02 . 1 . . . . 49 CYS H . 15758 1 186 . 1 1 49 49 CYS CA C 13 55.85 0.20 . 1 . . . . 49 CYS CA . 15758 1 187 . 1 1 49 49 CYS CB C 13 44.92 0.20 . 1 . . . . 49 CYS CB . 15758 1 188 . 1 1 49 49 CYS N N 15 116.29 0.10 . 1 . . . . 49 CYS N . 15758 1 189 . 1 1 50 50 ASN H H 1 9.20 0.02 . 1 . . . . 50 ASN H . 15758 1 190 . 1 1 50 50 ASN CA C 13 52.95 0.20 . 1 . . . . 50 ASN CA . 15758 1 191 . 1 1 50 50 ASN CB C 13 39.22 0.20 . 1 . . . . 50 ASN CB . 15758 1 192 . 1 1 50 50 ASN N N 15 124.14 0.10 . 1 . . . . 50 ASN N . 15758 1 193 . 1 1 51 51 ASP H H 1 7.97 0.02 . 1 . . . . 51 ASP H . 15758 1 194 . 1 1 51 51 ASP CA C 13 53.63 0.20 . 1 . . . . 51 ASP CA . 15758 1 195 . 1 1 51 51 ASP CB C 13 41.72 0.20 . 1 . . . . 51 ASP CB . 15758 1 196 . 1 1 51 51 ASP N N 15 124.73 0.10 . 1 . . . . 51 ASP N . 15758 1 197 . 1 1 52 52 GLN H H 1 8.84 0.02 . 1 . . . . 52 GLN H . 15758 1 198 . 1 1 52 52 GLN CA C 13 58.41 0.20 . 1 . . . . 52 GLN CA . 15758 1 199 . 1 1 52 52 GLN CB C 13 28.44 0.20 . 1 . . . . 52 GLN CB . 15758 1 200 . 1 1 52 52 GLN N N 15 126.29 0.10 . 1 . . . . 52 GLN N . 15758 1 201 . 1 1 53 53 ASP H H 1 8.80 0.02 . 1 . . . . 53 ASP H . 15758 1 202 . 1 1 53 53 ASP CA C 13 57.42 0.20 . 1 . . . . 53 ASP CA . 15758 1 203 . 1 1 53 53 ASP CB C 13 40.94 0.20 . 1 . . . . 53 ASP CB . 15758 1 204 . 1 1 53 53 ASP N N 15 118.46 0.10 . 1 . . . . 53 ASP N . 15758 1 205 . 1 1 54 54 THR H H 1 7.01 0.02 . 1 . . . . 54 THR H . 15758 1 206 . 1 1 54 54 THR CA C 13 60.38 0.20 . 1 . . . . 54 THR CA . 15758 1 207 . 1 1 54 54 THR CB C 13 69.49 0.20 . 1 . . . . 54 THR CB . 15758 1 208 . 1 1 54 54 THR N N 15 105.54 0.10 . 1 . . . . 54 THR N . 15758 1 209 . 1 1 55 55 ARG H H 1 7.61 0.02 . 1 . . . . 55 ARG H . 15758 1 210 . 1 1 55 55 ARG CA C 13 56.33 0.20 . 1 . . . . 55 ARG CA . 15758 1 211 . 1 1 55 55 ARG CB C 13 27.10 0.20 . 1 . . . . 55 ARG CB . 15758 1 212 . 1 1 55 55 ARG N N 15 123.01 0.10 . 1 . . . . 55 ARG N . 15758 1 213 . 1 1 56 56 THR H H 1 6.61 0.02 . 1 . . . . 56 THR H . 15758 1 214 . 1 1 56 56 THR CA C 13 61.39 0.20 . 1 . . . . 56 THR CA . 15758 1 215 . 1 1 56 56 THR CB C 13 72.22 0.20 . 1 . . . . 56 THR CB . 15758 1 216 . 1 1 56 56 THR N N 15 111.75 0.10 . 1 . . . . 56 THR N . 15758 1 217 . 1 1 57 57 SER H H 1 8.30 0.02 . 1 . . . . 57 SER H . 15758 1 218 . 1 1 57 57 SER CA C 13 56.00 0.20 . 1 . . . . 57 SER CA . 15758 1 219 . 1 1 57 57 SER CB C 13 64.16 0.20 . 1 . . . . 57 SER CB . 15758 1 220 . 1 1 57 57 SER N N 15 120.57 0.10 . 1 . . . . 57 SER N . 15758 1 221 . 1 1 58 58 TYR H H 1 8.55 0.02 . 1 . . . . 58 TYR H . 15758 1 222 . 1 1 58 58 TYR CA C 13 58.49 0.20 . 1 . . . . 58 TYR CA . 15758 1 223 . 1 1 58 58 TYR CB C 13 40.29 0.20 . 1 . . . . 58 TYR CB . 15758 1 224 . 1 1 58 58 TYR N N 15 128.33 0.10 . 1 . . . . 58 TYR N . 15758 1 225 . 1 1 59 59 ARG H H 1 9.18 0.02 . 1 . . . . 59 ARG H . 15758 1 226 . 1 1 59 59 ARG CA C 13 54.87 0.20 . 1 . . . . 59 ARG CA . 15758 1 227 . 1 1 59 59 ARG CB C 13 32.03 0.20 . 1 . . . . 59 ARG CB . 15758 1 228 . 1 1 59 59 ARG N N 15 120.98 0.10 . 1 . . . . 59 ARG N . 15758 1 229 . 1 1 60 60 ILE H H 1 8.00 0.02 . 1 . . . . 60 ILE H . 15758 1 230 . 1 1 60 60 ILE CA C 13 64.31 0.20 . 1 . . . . 60 ILE CA . 15758 1 231 . 1 1 60 60 ILE CB C 13 37.45 0.20 . 1 . . . . 60 ILE CB . 15758 1 232 . 1 1 60 60 ILE N N 15 119.96 0.10 . 1 . . . . 60 ILE N . 15758 1 233 . 1 1 61 61 GLY H H 1 9.15 0.02 . 1 . . . . 61 GLY H . 15758 1 234 . 1 1 61 61 GLY CA C 13 44.79 0.20 . 1 . . . . 61 GLY CA . 15758 1 235 . 1 1 61 61 GLY N N 15 116.52 0.10 . 1 . . . . 61 GLY N . 15758 1 236 . 1 1 62 62 ASP H H 1 8.50 0.02 . 1 . . . . 62 ASP H . 15758 1 237 . 1 1 62 62 ASP CA C 13 55.56 0.20 . 1 . . . . 62 ASP CA . 15758 1 238 . 1 1 62 62 ASP CB C 13 41.87 0.20 . 1 . . . . 62 ASP CB . 15758 1 239 . 1 1 62 62 ASP N N 15 121.98 0.10 . 1 . . . . 62 ASP N . 15758 1 240 . 1 1 63 63 THR H H 1 8.13 0.02 . 1 . . . . 63 THR H . 15758 1 241 . 1 1 63 63 THR CA C 13 59.06 0.20 . 1 . . . . 63 THR CA . 15758 1 242 . 1 1 63 63 THR CB C 13 72.19 0.20 . 1 . . . . 63 THR CB . 15758 1 243 . 1 1 63 63 THR N N 15 108.91 0.10 . 1 . . . . 63 THR N . 15758 1 244 . 1 1 64 64 TRP H H 1 8.27 0.02 . 1 . . . . 64 TRP H . 15758 1 245 . 1 1 64 64 TRP HE1 H 1 9.76 0.02 . 1 . . . . 64 TRP HE1 . 15758 1 246 . 1 1 64 64 TRP CA C 13 57.02 0.20 . 1 . . . . 64 TRP CA . 15758 1 247 . 1 1 64 64 TRP CB C 13 31.81 0.20 . 1 . . . . 64 TRP CB . 15758 1 248 . 1 1 64 64 TRP N N 15 121.63 0.10 . 1 . . . . 64 TRP N . 15758 1 249 . 1 1 64 64 TRP NE1 N 15 128.51 0.10 . 1 . . . . 64 TRP NE1 . 15758 1 250 . 1 1 65 65 SER H H 1 8.37 0.02 . 1 . . . . 65 SER H . 15758 1 251 . 1 1 65 65 SER CA C 13 56.06 0.20 . 1 . . . . 65 SER CA . 15758 1 252 . 1 1 65 65 SER CB C 13 66.34 0.20 . 1 . . . . 65 SER CB . 15758 1 253 . 1 1 65 65 SER N N 15 114.08 0.10 . 1 . . . . 65 SER N . 15758 1 254 . 1 1 66 66 LYS H H 1 8.42 0.02 . 1 . . . . 66 LYS H . 15758 1 255 . 1 1 66 66 LYS CA C 13 55.22 0.20 . 1 . . . . 66 LYS CA . 15758 1 256 . 1 1 66 66 LYS CB C 13 34.93 0.20 . 1 . . . . 66 LYS CB . 15758 1 257 . 1 1 66 66 LYS N N 15 117.67 0.10 . 1 . . . . 66 LYS N . 15758 1 258 . 1 1 67 67 LYS H H 1 8.42 0.02 . 1 . . . . 67 LYS H . 15758 1 259 . 1 1 67 67 LYS CA C 13 54.95 0.20 . 1 . . . . 67 LYS CA . 15758 1 260 . 1 1 67 67 LYS CB C 13 35.15 0.20 . 1 . . . . 67 LYS CB . 15758 1 261 . 1 1 67 67 LYS N N 15 119.62 0.10 . 1 . . . . 67 LYS N . 15758 1 262 . 1 1 68 68 ASP H H 1 8.53 0.02 . 1 . . . . 68 ASP H . 15758 1 263 . 1 1 68 68 ASP CA C 13 52.22 0.20 . 1 . . . . 68 ASP CA . 15758 1 264 . 1 1 68 68 ASP CB C 13 41.25 0.20 . 1 . . . . 68 ASP CB . 15758 1 265 . 1 1 68 68 ASP N N 15 121.53 0.10 . 1 . . . . 68 ASP N . 15758 1 266 . 1 1 69 69 ASN H H 1 8.45 0.02 . 1 . . . . 69 ASN H . 15758 1 267 . 1 1 69 69 ASN HD21 H 1 6.87 0.02 . 1 . . . . 69 ASN HD21 . 15758 1 268 . 1 1 69 69 ASN HD22 H 1 7.59 0.02 . 1 . . . . 69 ASN HD22 . 15758 1 269 . 1 1 69 69 ASN CA C 13 55.17 0.20 . 1 . . . . 69 ASN CA . 15758 1 270 . 1 1 69 69 ASN CB C 13 37.48 0.20 . 1 . . . . 69 ASN CB . 15758 1 271 . 1 1 69 69 ASN N N 15 115.20 0.10 . 1 . . . . 69 ASN N . 15758 1 272 . 1 1 69 69 ASN ND2 N 15 111.89 0.10 . 1 . . . . 69 ASN ND2 . 15758 1 273 . 1 1 70 70 ARG H H 1 8.21 0.02 . 1 . . . . 70 ARG H . 15758 1 274 . 1 1 70 70 ARG CA C 13 55.16 0.20 . 1 . . . . 70 ARG CA . 15758 1 275 . 1 1 70 70 ARG CB C 13 30.66 0.20 . 1 . . . . 70 ARG CB . 15758 1 276 . 1 1 70 70 ARG N N 15 119.11 0.10 . 1 . . . . 70 ARG N . 15758 1 277 . 1 1 71 71 GLY H H 1 8.00 0.02 . 1 . . . . 71 GLY H . 15758 1 278 . 1 1 71 71 GLY CA C 13 45.49 0.20 . 1 . . . . 71 GLY CA . 15758 1 279 . 1 1 71 71 GLY N N 15 107.75 0.10 . 1 . . . . 71 GLY N . 15758 1 280 . 1 1 72 72 ASN H H 1 8.78 0.02 . 1 . . . . 72 ASN H . 15758 1 281 . 1 1 72 72 ASN CA C 13 53.27 0.20 . 1 . . . . 72 ASN CA . 15758 1 282 . 1 1 72 72 ASN CB C 13 38.90 0.20 . 1 . . . . 72 ASN CB . 15758 1 283 . 1 1 72 72 ASN N N 15 120.13 0.10 . 1 . . . . 72 ASN N . 15758 1 284 . 1 1 73 73 LEU H H 1 8.60 0.02 . 1 . . . . 73 LEU H . 15758 1 285 . 1 1 73 73 LEU CA C 13 55.58 0.20 . 1 . . . . 73 LEU CA . 15758 1 286 . 1 1 73 73 LEU CB C 13 42.95 0.20 . 1 . . . . 73 LEU CB . 15758 1 287 . 1 1 73 73 LEU N N 15 123.25 0.10 . 1 . . . . 73 LEU N . 15758 1 288 . 1 1 74 74 LEU H H 1 9.30 0.02 . 1 . . . . 74 LEU H . 15758 1 289 . 1 1 74 74 LEU CA C 13 53.33 0.20 . 1 . . . . 74 LEU CA . 15758 1 290 . 1 1 74 74 LEU CB C 13 45.21 0.20 . 1 . . . . 74 LEU CB . 15758 1 291 . 1 1 74 74 LEU N N 15 126.18 0.10 . 1 . . . . 74 LEU N . 15758 1 292 . 1 1 75 75 GLN H H 1 8.74 0.02 . 1 . . . . 75 GLN H . 15758 1 293 . 1 1 75 75 GLN CA C 13 54.68 0.20 . 1 . . . . 75 GLN CA . 15758 1 294 . 1 1 75 75 GLN CB C 13 30.66 0.20 . 1 . . . . 75 GLN CB . 15758 1 295 . 1 1 75 75 GLN N N 15 119.86 0.10 . 1 . . . . 75 GLN N . 15758 1 296 . 1 1 76 76 CYS H H 1 9.03 0.02 . 1 . . . . 76 CYS H . 15758 1 297 . 1 1 76 76 CYS CA C 13 55.20 0.20 . 1 . . . . 76 CYS CA . 15758 1 298 . 1 1 76 76 CYS CB C 13 46.66 0.20 . 1 . . . . 76 CYS CB . 15758 1 299 . 1 1 76 76 CYS N N 15 126.36 0.10 . 1 . . . . 76 CYS N . 15758 1 300 . 1 1 77 77 ILE H H 1 8.45 0.02 . 1 . . . . 77 ILE H . 15758 1 301 . 1 1 77 77 ILE CA C 13 59.04 0.20 . 1 . . . . 77 ILE CA . 15758 1 302 . 1 1 77 77 ILE CB C 13 42.21 0.20 . 1 . . . . 77 ILE CB . 15758 1 303 . 1 1 77 77 ILE N N 15 119.10 0.10 . 1 . . . . 77 ILE N . 15758 1 304 . 1 1 78 78 CYS H H 1 8.41 0.02 . 1 . . . . 78 CYS H . 15758 1 305 . 1 1 78 78 CYS CA C 13 54.68 0.20 . 1 . . . . 78 CYS CA . 15758 1 306 . 1 1 78 78 CYS CB C 13 38.61 0.20 . 1 . . . . 78 CYS CB . 15758 1 307 . 1 1 78 78 CYS N N 15 124.27 0.10 . 1 . . . . 78 CYS N . 15758 1 308 . 1 1 79 79 THR H H 1 8.77 0.02 . 1 . . . . 79 THR H . 15758 1 309 . 1 1 79 79 THR CA C 13 62.99 0.20 . 1 . . . . 79 THR CA . 15758 1 310 . 1 1 79 79 THR CB C 13 68.99 0.20 . 1 . . . . 79 THR CB . 15758 1 311 . 1 1 79 79 THR N N 15 124.42 0.10 . 1 . . . . 79 THR N . 15758 1 312 . 1 1 80 80 GLY H H 1 9.38 0.02 . 1 . . . . 80 GLY H . 15758 1 313 . 1 1 80 80 GLY CA C 13 47.91 0.20 . 1 . . . . 80 GLY CA . 15758 1 314 . 1 1 80 80 GLY N N 15 110.70 0.10 . 1 . . . . 80 GLY N . 15758 1 315 . 1 1 81 81 ASN H H 1 8.62 0.02 . 1 . . . . 81 ASN H . 15758 1 316 . 1 1 81 81 ASN HD21 H 1 6.76 0.02 . 1 . . . . 81 ASN HD21 . 15758 1 317 . 1 1 81 81 ASN HD22 H 1 7.72 0.02 . 1 . . . . 81 ASN HD22 . 15758 1 318 . 1 1 81 81 ASN CA C 13 54.19 0.20 . 1 . . . . 81 ASN CA . 15758 1 319 . 1 1 81 81 ASN CB C 13 37.63 0.20 . 1 . . . . 81 ASN CB . 15758 1 320 . 1 1 81 81 ASN N N 15 124.22 0.10 . 1 . . . . 81 ASN N . 15758 1 321 . 1 1 81 81 ASN ND2 N 15 112.50 0.10 . 1 . . . . 81 ASN ND2 . 15758 1 322 . 1 1 82 82 GLY H H 1 9.19 0.02 . 1 . . . . 82 GLY H . 15758 1 323 . 1 1 82 82 GLY CA C 13 46.06 0.20 . 1 . . . . 82 GLY CA . 15758 1 324 . 1 1 82 82 GLY N N 15 105.87 0.10 . 1 . . . . 82 GLY N . 15758 1 325 . 1 1 83 83 ARG H H 1 7.87 0.02 . 1 . . . . 83 ARG H . 15758 1 326 . 1 1 83 83 ARG CA C 13 55.38 0.20 . 1 . . . . 83 ARG CA . 15758 1 327 . 1 1 83 83 ARG CB C 13 31.49 0.20 . 1 . . . . 83 ARG CB . 15758 1 328 . 1 1 83 83 ARG N N 15 117.39 0.10 . 1 . . . . 83 ARG N . 15758 1 329 . 1 1 84 84 GLY H H 1 8.71 0.02 . 1 . . . . 84 GLY H . 15758 1 330 . 1 1 84 84 GLY CA C 13 48.08 0.20 . 1 . . . . 84 GLY CA . 15758 1 331 . 1 1 84 84 GLY N N 15 113.29 0.10 . 1 . . . . 84 GLY N . 15758 1 332 . 1 1 85 85 GLU H H 1 8.54 0.02 . 1 . . . . 85 GLU H . 15758 1 333 . 1 1 85 85 GLU CA C 13 57.02 0.20 . 1 . . . . 85 GLU CA . 15758 1 334 . 1 1 85 85 GLU CB C 13 31.74 0.20 . 1 . . . . 85 GLU CB . 15758 1 335 . 1 1 85 85 GLU N N 15 118.88 0.10 . 1 . . . . 85 GLU N . 15758 1 336 . 1 1 86 86 TRP H H 1 7.98 0.02 . 1 . . . . 86 TRP H . 15758 1 337 . 1 1 86 86 TRP HE1 H 1 10.16 0.02 . 1 . . . . 86 TRP HE1 . 15758 1 338 . 1 1 86 86 TRP CA C 13 55.87 0.20 . 1 . . . . 86 TRP CA . 15758 1 339 . 1 1 86 86 TRP CB C 13 34.51 0.20 . 1 . . . . 86 TRP CB . 15758 1 340 . 1 1 86 86 TRP N N 15 119.60 0.10 . 1 . . . . 86 TRP N . 15758 1 341 . 1 1 86 86 TRP NE1 N 15 129.60 0.10 . 1 . . . . 86 TRP NE1 . 15758 1 342 . 1 1 87 87 LYS H H 1 8.49 0.02 . 1 . . . . 87 LYS H . 15758 1 343 . 1 1 87 87 LYS CA C 13 54.91 0.20 . 1 . . . . 87 LYS CA . 15758 1 344 . 1 1 87 87 LYS CB C 13 36.00 0.20 . 1 . . . . 87 LYS CB . 15758 1 345 . 1 1 87 87 LYS N N 15 118.17 0.10 . 1 . . . . 87 LYS N . 15758 1 346 . 1 1 88 88 CYS H H 1 8.89 0.02 . 1 . . . . 88 CYS H . 15758 1 347 . 1 1 88 88 CYS CA C 13 55.42 0.20 . 1 . . . . 88 CYS CA . 15758 1 348 . 1 1 88 88 CYS CB C 13 48.88 0.20 . 1 . . . . 88 CYS CB . 15758 1 349 . 1 1 88 88 CYS N N 15 120.45 0.10 . 1 . . . . 88 CYS N . 15758 1 350 . 1 1 89 89 GLU H H 1 8.81 0.02 . 1 . . . . 89 GLU H . 15758 1 351 . 1 1 89 89 GLU CA C 13 54.36 0.20 . 1 . . . . 89 GLU CA . 15758 1 352 . 1 1 89 89 GLU CB C 13 33.66 0.20 . 1 . . . . 89 GLU CB . 15758 1 353 . 1 1 89 89 GLU N N 15 120.94 0.10 . 1 . . . . 89 GLU N . 15758 1 354 . 1 1 90 90 ARG H H 1 8.80 0.02 . 1 . . . . 90 ARG H . 15758 1 355 . 1 1 90 90 ARG CA C 13 56.59 0.20 . 1 . . . . 90 ARG CA . 15758 1 356 . 1 1 90 90 ARG CB C 13 30.70 0.20 . 1 . . . . 90 ARG CB . 15758 1 357 . 1 1 90 90 ARG N N 15 122.97 0.10 . 1 . . . . 90 ARG N . 15758 1 358 . 1 1 91 91 HIS H H 1 8.78 0.02 . 1 . . . . 91 HIS H . 15758 1 359 . 1 1 91 91 HIS CA C 13 55.90 0.20 . 1 . . . . 91 HIS CA . 15758 1 360 . 1 1 91 91 HIS CB C 13 31.05 0.20 . 1 . . . . 91 HIS CB . 15758 1 361 . 1 1 91 91 HIS N N 15 124.02 0.10 . 1 . . . . 91 HIS N . 15758 1 362 . 1 1 92 92 THR H H 1 8.23 0.02 . 1 . . . . 92 THR H . 15758 1 363 . 1 1 92 92 THR CA C 13 61.79 0.20 . 1 . . . . 92 THR CA . 15758 1 364 . 1 1 92 92 THR CB C 13 70.10 0.20 . 1 . . . . 92 THR CB . 15758 1 365 . 1 1 92 92 THR N N 15 117.57 0.10 . 1 . . . . 92 THR N . 15758 1 366 . 1 1 93 93 SER H H 1 7.94 0.02 . 1 . . . . 93 SER H . 15758 1 367 . 1 1 93 93 SER CA C 13 60.14 0.20 . 1 . . . . 93 SER CA . 15758 1 368 . 1 1 93 93 SER CB C 13 64.82 0.20 . 1 . . . . 93 SER CB . 15758 1 369 . 1 1 93 93 SER N N 15 123.29 0.10 . 1 . . . . 93 SER N . 15758 1 stop_ save_