data_15756 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15756 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of the 2FNI-3FNI 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 . . . 15756 2 Iain Campbell . D. . 15756 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15756 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 160 15756 '15N chemical shifts' 88 15756 '1H chemical shifts' 88 15756 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' 15756 1 . . 2009-04-15 2008-05-06 original author 'original release' 15756 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CG6 'Crystal structure (form I)' 15756 PDB 2CG7 'Crystal structure (form I)' 15756 PDB 2CKU 'Solution structure' 15756 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15756 _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 . . . 15756 1 2 David Staunton . . . 15756 1 3 Ian Ellis . R. . 15756 1 4 Peter Sarkies . . . 15756 1 5 Aleksandra Flanagan . . . 15756 1 6 Ana Schor . M. . 15756 1 7 Seth Schor . L. . 15756 1 8 Iain Campbell . D. . 15756 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cell migration' 15756 1 fibronectin 15756 1 'protein interactions' 15756 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15756 _Assembly.ID 1 _Assembly.Name 2-3F1 _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 10035.2 _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 $2F13F1 A . yes native no no 1 . . 15756 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 32 32 SG . protein 4 CYS SG . protein 32 CYS SG 15756 1 2 disulphide 1 . 1 protein 1 CYS 30 30 SG . 1 protein 1 CYS 42 42 SG . protein 30 CYS SG . protein 42 CYS SG 15756 1 3 disulphide 1 . 1 protein 1 CYS 48 48 SG . 1 protein 1 CYS 76 76 SG . protein 48 CYS SG . protein 76 CYS SG 15756 1 4 disulphide 1 . 1 protein 1 CYS 74 74 SG . 1 protein 1 CYS 86 86 SG . protein 74 CYS SG . protein 86 CYS SG 15756 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_2F13F1 _Entity.Sf_category entity _Entity.Sf_framecode 2F13F1 _Entity.Entry_ID 15756 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 2F13F1 _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 ; EETCFDKYTGNTYRVGDTYE RPKDSMIWDCTCIGAGRGRI SCTIANRCHEGGQSYKIGDT WRRPHETGGYMLECVCLGNG KGEWTCKPI ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Second and third type I domains of fibronectin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 2CG6 . "Second And Third Fibronectin Type I Module Pair (Crystal Form I)." . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 2 no PDB 2CG7 . "Second And Third Fibronectin Type I Module Pair (Crystal Form Ii)." . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 3 no PDB 2CKU . "Solution Structure Of 2f13f1 From Human Fibronectin" . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 4 no PDB 2RKZ . "Crystal Structure Of The Second And Third Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-1" . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 5 no PDB 3CAL . "Crystal Structure Of The Second And Third Fibronectin F1 Modules In Complex With A Fragment Of Staphylococcus Aureus Fnbpa-5" . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 6 no PDB 3ZRZ . "Crystal Structure Of The Second And Third Fibronectin F1 Modules In Complex With A Fragment Of Streptococcus Pyogenes Sfbi-5" . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 7 no PDB 4PZ5 . "Crystal Structure Of The Second And Third Fibronectin F1 Modules In Complex With A Fragment Of Bbk32 From Borrelia Burgdorferi" . . . . . 100.00 90 100.00 100.00 1.17e-57 . . . . 15756 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Extracellular matrix component' 15756 1 'Structural protein' 15756 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 . GLU . 15756 1 2 . GLU . 15756 1 3 . THR . 15756 1 4 . CYS . 15756 1 5 . PHE . 15756 1 6 . ASP . 15756 1 7 . LYS . 15756 1 8 . TYR . 15756 1 9 . THR . 15756 1 10 . GLY . 15756 1 11 . ASN . 15756 1 12 . THR . 15756 1 13 . TYR . 15756 1 14 . ARG . 15756 1 15 . VAL . 15756 1 16 . GLY . 15756 1 17 . ASP . 15756 1 18 . THR . 15756 1 19 . TYR . 15756 1 20 . GLU . 15756 1 21 . ARG . 15756 1 22 . PRO . 15756 1 23 . LYS . 15756 1 24 . ASP . 15756 1 25 . SER . 15756 1 26 . MET . 15756 1 27 . ILE . 15756 1 28 . TRP . 15756 1 29 . ASP . 15756 1 30 . CYS . 15756 1 31 . THR . 15756 1 32 . CYS . 15756 1 33 . ILE . 15756 1 34 . GLY . 15756 1 35 . ALA . 15756 1 36 . GLY . 15756 1 37 . ARG . 15756 1 38 . GLY . 15756 1 39 . ARG . 15756 1 40 . ILE . 15756 1 41 . SER . 15756 1 42 . CYS . 15756 1 43 . THR . 15756 1 44 . ILE . 15756 1 45 . ALA . 15756 1 46 . ASN . 15756 1 47 . ARG . 15756 1 48 . CYS . 15756 1 49 . HIS . 15756 1 50 . GLU . 15756 1 51 . GLY . 15756 1 52 . GLY . 15756 1 53 . GLN . 15756 1 54 . SER . 15756 1 55 . TYR . 15756 1 56 . LYS . 15756 1 57 . ILE . 15756 1 58 . GLY . 15756 1 59 . ASP . 15756 1 60 . THR . 15756 1 61 . TRP . 15756 1 62 . ARG . 15756 1 63 . ARG . 15756 1 64 . PRO . 15756 1 65 . HIS . 15756 1 66 . GLU . 15756 1 67 . THR . 15756 1 68 . GLY . 15756 1 69 . GLY . 15756 1 70 . TYR . 15756 1 71 . MET . 15756 1 72 . LEU . 15756 1 73 . GLU . 15756 1 74 . CYS . 15756 1 75 . VAL . 15756 1 76 . CYS . 15756 1 77 . LEU . 15756 1 78 . GLY . 15756 1 79 . ASN . 15756 1 80 . GLY . 15756 1 81 . LYS . 15756 1 82 . GLY . 15756 1 83 . GLU . 15756 1 84 . TRP . 15756 1 85 . THR . 15756 1 86 . CYS . 15756 1 87 . LYS . 15756 1 88 . PRO . 15756 1 89 . ILE . 15756 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 . GLU 1 1 15756 1 . GLU 2 2 15756 1 . THR 3 3 15756 1 . CYS 4 4 15756 1 . PHE 5 5 15756 1 . ASP 6 6 15756 1 . LYS 7 7 15756 1 . TYR 8 8 15756 1 . THR 9 9 15756 1 . GLY 10 10 15756 1 . ASN 11 11 15756 1 . THR 12 12 15756 1 . TYR 13 13 15756 1 . ARG 14 14 15756 1 . VAL 15 15 15756 1 . GLY 16 16 15756 1 . ASP 17 17 15756 1 . THR 18 18 15756 1 . TYR 19 19 15756 1 . GLU 20 20 15756 1 . ARG 21 21 15756 1 . PRO 22 22 15756 1 . LYS 23 23 15756 1 . ASP 24 24 15756 1 . SER 25 25 15756 1 . MET 26 26 15756 1 . ILE 27 27 15756 1 . TRP 28 28 15756 1 . ASP 29 29 15756 1 . CYS 30 30 15756 1 . THR 31 31 15756 1 . CYS 32 32 15756 1 . ILE 33 33 15756 1 . GLY 34 34 15756 1 . ALA 35 35 15756 1 . GLY 36 36 15756 1 . ARG 37 37 15756 1 . GLY 38 38 15756 1 . ARG 39 39 15756 1 . ILE 40 40 15756 1 . SER 41 41 15756 1 . CYS 42 42 15756 1 . THR 43 43 15756 1 . ILE 44 44 15756 1 . ALA 45 45 15756 1 . ASN 46 46 15756 1 . ARG 47 47 15756 1 . CYS 48 48 15756 1 . HIS 49 49 15756 1 . GLU 50 50 15756 1 . GLY 51 51 15756 1 . GLY 52 52 15756 1 . GLN 53 53 15756 1 . SER 54 54 15756 1 . TYR 55 55 15756 1 . LYS 56 56 15756 1 . ILE 57 57 15756 1 . GLY 58 58 15756 1 . ASP 59 59 15756 1 . THR 60 60 15756 1 . TRP 61 61 15756 1 . ARG 62 62 15756 1 . ARG 63 63 15756 1 . PRO 64 64 15756 1 . HIS 65 65 15756 1 . GLU 66 66 15756 1 . THR 67 67 15756 1 . GLY 68 68 15756 1 . GLY 69 69 15756 1 . TYR 70 70 15756 1 . MET 71 71 15756 1 . LEU 72 72 15756 1 . GLU 73 73 15756 1 . CYS 74 74 15756 1 . VAL 75 75 15756 1 . CYS 76 76 15756 1 . LEU 77 77 15756 1 . GLY 78 78 15756 1 . ASN 79 79 15756 1 . GLY 80 80 15756 1 . LYS 81 81 15756 1 . GLY 82 82 15756 1 . GLU 83 83 15756 1 . TRP 84 84 15756 1 . THR 85 85 15756 1 . CYS 86 86 15756 1 . LYS 87 87 15756 1 . PRO 88 88 15756 1 . ILE 89 89 15756 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 15756 _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 $2F13F1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FN1 . . . . 15756 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 15756 _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 $2F13F1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPIC9K . . . . . . 15756 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15756 _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 2F13F1 '[U-99% 13C; U-99% 15N]' . . 1 $2F13F1 . . 0.3 . . mM . . . . 15756 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15756 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15756 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15756 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15756 1 6 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15756 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 15756 _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 15756 1 pH 6 0.05 pH 15756 1 pressure 1 . atm 15756 1 temperature 303 . K 15756 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15756 _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' . . 15756 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15756 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15756 _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 . . 15756 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15756 2 stop_ save_ save_Omega _Software.Sf_category software _Software.Sf_framecode Omega _Software.Entry_ID 15756 _Software.ID 3 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 6.0.3b2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Instruments' . . 15756 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15756 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 15756 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Custom instrument consisting of Oxford supercon, GE/Omega computer and home-built electronics' _NMR_spectrometer.Manufacturer N/A _NMR_spectrometer.Model N/A _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15756 _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 N/A N/A . 600 'Custom instrument consisting of Oxford supercon, GE/Omega computer and home-built electronics' . . 15756 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 15756 _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 . . . . . . . . . . . . . . . . 15756 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15756 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15756 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15756 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 15756 _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 . . . . . . . . . 15756 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15756 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15756 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 15756 _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' . . . 15756 1 3 '3D CBCA(CO)NH' . . . 15756 1 4 '3D HNCACB' . . . 15756 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 GLU CA C 13 56.21 0.20 . 1 . . . . 1 GLU CA . 15756 1 2 . 1 1 1 1 GLU CB C 13 30.60 0.20 . 1 . . . . 1 GLU CB . 15756 1 3 . 1 1 2 2 GLU H H 1 8.60 0.02 . 1 . . . . 2 GLU H . 15756 1 4 . 1 1 2 2 GLU CA C 13 57.04 0.20 . 1 . . . . 2 GLU CA . 15756 1 5 . 1 1 2 2 GLU CB C 13 30.75 0.20 . 1 . . . . 2 GLU CB . 15756 1 6 . 1 1 2 2 GLU N N 15 124.31 0.20 . 1 . . . . 2 GLU N . 15756 1 7 . 1 1 3 3 THR H H 1 7.91 0.02 . 1 . . . . 3 THR H . 15756 1 8 . 1 1 3 3 THR CA C 13 59.52 0.20 . 1 . . . . 3 THR CA . 15756 1 9 . 1 1 3 3 THR CB C 13 73.58 0.20 . 1 . . . . 3 THR CB . 15756 1 10 . 1 1 3 3 THR N N 15 111.79 0.20 . 1 . . . . 3 THR N . 15756 1 11 . 1 1 4 4 CYS H H 1 9.10 0.02 . 1 . . . . 4 CYS H . 15756 1 12 . 1 1 4 4 CYS CA C 13 56.12 0.20 . 1 . . . . 4 CYS CA . 15756 1 13 . 1 1 4 4 CYS CB C 13 44.41 0.20 . 1 . . . . 4 CYS CB . 15756 1 14 . 1 1 4 4 CYS N N 15 113.85 0.20 . 1 . . . . 4 CYS N . 15756 1 15 . 1 1 5 5 PHE H H 1 9.07 0.02 . 1 . . . . 5 PHE H . 15756 1 16 . 1 1 5 5 PHE CA C 13 56.89 0.20 . 1 . . . . 5 PHE CA . 15756 1 17 . 1 1 5 5 PHE CB C 13 40.91 0.20 . 1 . . . . 5 PHE CB . 15756 1 18 . 1 1 5 5 PHE N N 15 124.23 0.20 . 1 . . . . 5 PHE N . 15756 1 19 . 1 1 6 6 ASP H H 1 7.88 0.02 . 1 . . . . 6 ASP H . 15756 1 20 . 1 1 6 6 ASP CA C 13 52.54 0.20 . 1 . . . . 6 ASP CA . 15756 1 21 . 1 1 6 6 ASP CB C 13 43.96 0.20 . 1 . . . . 6 ASP CB . 15756 1 22 . 1 1 6 6 ASP N N 15 129.04 0.20 . 1 . . . . 6 ASP N . 15756 1 23 . 1 1 7 7 LYS H H 1 8.39 0.02 . 1 . . . . 7 LYS H . 15756 1 24 . 1 1 7 7 LYS CA C 13 57.73 0.20 . 1 . . . . 7 LYS CA . 15756 1 25 . 1 1 7 7 LYS CB C 13 31.67 0.20 . 1 . . . . 7 LYS CB . 15756 1 26 . 1 1 7 7 LYS N N 15 123.87 0.20 . 1 . . . . 7 LYS N . 15756 1 27 . 1 1 8 8 TYR H H 1 8.68 0.02 . 1 . . . . 8 TYR H . 15756 1 28 . 1 1 8 8 TYR CA C 13 60.51 0.20 . 1 . . . . 8 TYR CA . 15756 1 29 . 1 1 8 8 TYR CB C 13 37.13 0.20 . 1 . . . . 8 TYR CB . 15756 1 30 . 1 1 8 8 TYR N N 15 120.37 0.20 . 1 . . . . 8 TYR N . 15756 1 31 . 1 1 9 9 THR H H 1 8.42 0.02 . 1 . . . . 9 THR H . 15756 1 32 . 1 1 9 9 THR CA C 13 61.66 0.20 . 1 . . . . 9 THR CA . 15756 1 33 . 1 1 9 9 THR CB C 13 69.96 0.20 . 1 . . . . 9 THR CB . 15756 1 34 . 1 1 9 9 THR N N 15 108.74 0.20 . 1 . . . . 9 THR N . 15756 1 35 . 1 1 10 10 GLY H H 1 8.42 0.02 . 1 . . . . 10 GLY H . 15756 1 36 . 1 1 10 10 GLY CA C 13 45.90 0.20 . 1 . . . . 10 GLY CA . 15756 1 37 . 1 1 10 10 GLY N N 15 110.29 0.20 . 1 . . . . 10 GLY N . 15756 1 38 . 1 1 11 11 ASN H H 1 7.30 0.02 . 1 . . . . 11 ASN H . 15756 1 39 . 1 1 11 11 ASN CA C 13 51.60 0.20 . 1 . . . . 11 ASN CA . 15756 1 40 . 1 1 11 11 ASN CB C 13 40.57 0.20 . 1 . . . . 11 ASN CB . 15756 1 41 . 1 1 11 11 ASN N N 15 117.82 0.20 . 1 . . . . 11 ASN N . 15756 1 42 . 1 1 12 12 THR H H 1 7.83 0.02 . 1 . . . . 12 THR H . 15756 1 43 . 1 1 12 12 THR CA C 13 61.67 0.20 . 1 . . . . 12 THR CA . 15756 1 44 . 1 1 12 12 THR CB C 13 70.39 0.20 . 1 . . . . 12 THR CB . 15756 1 45 . 1 1 12 12 THR N N 15 114.04 0.20 . 1 . . . . 12 THR N . 15756 1 46 . 1 1 13 13 TYR H H 1 9.03 0.02 . 1 . . . . 13 TYR H . 15756 1 47 . 1 1 13 13 TYR CA C 13 57.25 0.20 . 1 . . . . 13 TYR CA . 15756 1 48 . 1 1 13 13 TYR CB C 13 42.60 0.20 . 1 . . . . 13 TYR CB . 15756 1 49 . 1 1 13 13 TYR N N 15 124.70 0.20 . 1 . . . . 13 TYR N . 15756 1 50 . 1 1 14 14 ARG H H 1 8.92 0.02 . 1 . . . . 14 ARG H . 15756 1 51 . 1 1 14 14 ARG CA C 13 54.88 0.20 . 1 . . . . 14 ARG CA . 15756 1 52 . 1 1 14 14 ARG CB C 13 31.64 0.20 . 1 . . . . 14 ARG CB . 15756 1 53 . 1 1 14 14 ARG N N 15 120.55 0.20 . 1 . . . . 14 ARG N . 15756 1 54 . 1 1 15 15 VAL H H 1 8.02 0.02 . 1 . . . . 15 VAL H . 15756 1 55 . 1 1 15 15 VAL CA C 13 65.41 0.20 . 1 . . . . 15 VAL CA . 15756 1 56 . 1 1 15 15 VAL CB C 13 31.29 0.20 . 1 . . . . 15 VAL CB . 15756 1 57 . 1 1 15 15 VAL N N 15 121.17 0.20 . 1 . . . . 15 VAL N . 15756 1 58 . 1 1 16 16 GLY H H 1 9.20 0.02 . 1 . . . . 16 GLY H . 15756 1 59 . 1 1 16 16 GLY CA C 13 44.51 0.20 . 1 . . . . 16 GLY CA . 15756 1 60 . 1 1 16 16 GLY N N 15 117.04 0.20 . 1 . . . . 16 GLY N . 15756 1 61 . 1 1 17 17 ASP H H 1 8.36 0.02 . 1 . . . . 17 ASP H . 15756 1 62 . 1 1 17 17 ASP CA C 13 55.75 0.20 . 1 . . . . 17 ASP CA . 15756 1 63 . 1 1 17 17 ASP CB C 13 41.65 0.20 . 1 . . . . 17 ASP CB . 15756 1 64 . 1 1 17 17 ASP N N 15 122.44 0.20 . 1 . . . . 17 ASP N . 15756 1 65 . 1 1 18 18 THR H H 1 8.23 0.02 . 1 . . . . 18 THR H . 15756 1 66 . 1 1 18 18 THR CA C 13 59.43 0.20 . 1 . . . . 18 THR CA . 15756 1 67 . 1 1 18 18 THR CB C 13 71.53 0.20 . 1 . . . . 18 THR CB . 15756 1 68 . 1 1 18 18 THR N N 15 112.85 0.20 . 1 . . . . 18 THR N . 15756 1 69 . 1 1 19 19 TYR H H 1 8.68 0.02 . 1 . . . . 19 TYR H . 15756 1 70 . 1 1 19 19 TYR CA C 13 56.41 0.20 . 1 . . . . 19 TYR CA . 15756 1 71 . 1 1 19 19 TYR CB C 13 39.61 0.20 . 1 . . . . 19 TYR CB . 15756 1 72 . 1 1 19 19 TYR N N 15 120.76 0.20 . 1 . . . . 19 TYR N . 15756 1 73 . 1 1 20 20 GLU H H 1 8.42 0.02 . 1 . . . . 20 GLU H . 15756 1 74 . 1 1 20 20 GLU CA C 13 54.56 0.20 . 1 . . . . 20 GLU CA . 15756 1 75 . 1 1 20 20 GLU CB C 13 31.93 0.20 . 1 . . . . 20 GLU CB . 15756 1 76 . 1 1 20 20 GLU N N 15 119.21 0.20 . 1 . . . . 20 GLU N . 15756 1 77 . 1 1 21 21 ARG H H 1 9.32 0.02 . 1 . . . . 21 ARG H . 15756 1 78 . 1 1 21 21 ARG HE H 1 8.06 0.02 . 0 . . . . 21 ARG HE . 15756 1 79 . 1 1 21 21 ARG CA C 13 52.23 0.20 . 1 . . . . 21 ARG CA . 15756 1 80 . 1 1 21 21 ARG CB C 13 37.27 0.20 . 1 . . . . 21 ARG CB . 15756 1 81 . 1 1 21 21 ARG N N 15 123.92 0.20 . 1 . . . . 21 ARG N . 15756 1 82 . 1 1 21 21 ARG NE N 15 85.87 0.20 . 1 . . . . 21 ARG NE . 15756 1 83 . 1 1 22 22 PRO CA C 13 61.58 0.20 . 1 . . . . 22 PRO CA . 15756 1 84 . 1 1 22 22 PRO CB C 13 31.39 0.20 . 1 . . . . 22 PRO CB . 15756 1 85 . 1 1 23 23 LYS H H 1 8.77 0.02 . 1 . . . . 23 LYS H . 15756 1 86 . 1 1 23 23 LYS CA C 13 57.43 0.20 . 1 . . . . 23 LYS CA . 15756 1 87 . 1 1 23 23 LYS CB C 13 34.54 0.20 . 1 . . . . 23 LYS CB . 15756 1 88 . 1 1 23 23 LYS N N 15 124.63 0.20 . 1 . . . . 23 LYS N . 15756 1 89 . 1 1 24 24 ASP H H 1 9.45 0.02 . 1 . . . . 24 ASP H . 15756 1 90 . 1 1 24 24 ASP CA C 13 56.18 0.20 . 1 . . . . 24 ASP CA . 15756 1 91 . 1 1 24 24 ASP CB C 13 39.29 0.20 . 1 . . . . 24 ASP CB . 15756 1 92 . 1 1 24 24 ASP N N 15 128.11 0.20 . 1 . . . . 24 ASP N . 15756 1 93 . 1 1 25 25 SER H H 1 8.59 0.02 . 1 . . . . 25 SER H . 15756 1 94 . 1 1 25 25 SER CA C 13 60.07 0.20 . 1 . . . . 25 SER CA . 15756 1 95 . 1 1 25 25 SER CB C 13 62.30 0.20 . 1 . . . . 25 SER CB . 15756 1 96 . 1 1 25 25 SER N N 15 108.62 0.20 . 1 . . . . 25 SER N . 15756 1 97 . 1 1 26 26 MET H H 1 7.82 0.02 . 1 . . . . 26 MET H . 15756 1 98 . 1 1 26 26 MET CA C 13 53.86 0.20 . 1 . . . . 26 MET CA . 15756 1 99 . 1 1 26 26 MET CB C 13 36.49 0.20 . 1 . . . . 26 MET CB . 15756 1 100 . 1 1 26 26 MET N N 15 119.27 0.20 . 1 . . . . 26 MET N . 15756 1 101 . 1 1 27 27 ILE H H 1 8.64 0.02 . 1 . . . . 27 ILE H . 15756 1 102 . 1 1 27 27 ILE CA C 13 60.47 0.20 . 1 . . . . 27 ILE CA . 15756 1 103 . 1 1 27 27 ILE N N 15 122.43 0.20 . 1 . . . . 27 ILE N . 15756 1 104 . 1 1 28 28 TRP H H 1 8.40 0.02 . 1 . . . . 28 TRP H . 15756 1 105 . 1 1 28 28 TRP HE1 H 1 9.87 0.02 . 1 . . . . 28 TRP HE1 . 15756 1 106 . 1 1 28 28 TRP CA C 13 55.23 0.20 . 1 . . . . 28 TRP CA . 15756 1 107 . 1 1 28 28 TRP CB C 13 30.91 0.20 . 1 . . . . 28 TRP CB . 15756 1 108 . 1 1 28 28 TRP N N 15 125.15 0.20 . 1 . . . . 28 TRP N . 15756 1 109 . 1 1 28 28 TRP NE1 N 15 130.63 0.20 . 1 . . . . 28 TRP NE1 . 15756 1 110 . 1 1 29 29 ASP H H 1 8.85 0.02 . 1 . . . . 29 ASP H . 15756 1 111 . 1 1 29 29 ASP CA C 13 54.45 0.20 . 1 . . . . 29 ASP CA . 15756 1 112 . 1 1 29 29 ASP CB C 13 41.72 0.20 . 1 . . . . 29 ASP CB . 15756 1 113 . 1 1 29 29 ASP N N 15 121.94 0.20 . 1 . . . . 29 ASP N . 15756 1 114 . 1 1 30 30 CYS H H 1 9.01 0.02 . 1 . . . . 30 CYS H . 15756 1 115 . 1 1 30 30 CYS CA C 13 55.27 0.20 . 1 . . . . 30 CYS CA . 15756 1 116 . 1 1 30 30 CYS CB C 13 46.63 0.20 . 1 . . . . 30 CYS CB . 15756 1 117 . 1 1 30 30 CYS N N 15 124.98 0.20 . 1 . . . . 30 CYS N . 15756 1 118 . 1 1 31 31 THR H H 1 8.84 0.02 . 1 . . . . 31 THR H . 15756 1 119 . 1 1 31 31 THR CA C 13 60.80 0.20 . 1 . . . . 31 THR CA . 15756 1 120 . 1 1 31 31 THR CB C 13 72.14 0.20 . 1 . . . . 31 THR CB . 15756 1 121 . 1 1 31 31 THR N N 15 116.03 0.20 . 1 . . . . 31 THR N . 15756 1 122 . 1 1 32 32 CYS H H 1 8.58 0.02 . 1 . . . . 32 CYS H . 15756 1 123 . 1 1 32 32 CYS CA C 13 54.61 0.20 . 1 . . . . 32 CYS CA . 15756 1 124 . 1 1 32 32 CYS CB C 13 36.10 0.20 . 1 . . . . 32 CYS CB . 15756 1 125 . 1 1 32 32 CYS N N 15 123.76 0.20 . 1 . . . . 32 CYS N . 15756 1 126 . 1 1 33 33 ILE H H 1 8.86 0.02 . 1 . . . . 33 ILE H . 15756 1 127 . 1 1 33 33 ILE CA C 13 61.33 0.20 . 1 . . . . 33 ILE CA . 15756 1 128 . 1 1 33 33 ILE CB C 13 38.15 0.20 . 1 . . . . 33 ILE CB . 15756 1 129 . 1 1 33 33 ILE N N 15 132.90 0.20 . 1 . . . . 33 ILE N . 15756 1 130 . 1 1 34 34 GLY H H 1 8.83 0.02 . 1 . . . . 34 GLY H . 15756 1 131 . 1 1 34 34 GLY CA C 13 47.33 0.20 . 1 . . . . 34 GLY CA . 15756 1 132 . 1 1 34 34 GLY N N 15 106.81 0.20 . 1 . . . . 34 GLY N . 15756 1 133 . 1 1 35 35 ALA H H 1 8.72 0.02 . 1 . . . . 35 ALA H . 15756 1 134 . 1 1 35 35 ALA CA C 13 53.11 0.20 . 1 . . . . 35 ALA CA . 15756 1 135 . 1 1 35 35 ALA CB C 13 17.31 0.20 . 1 . . . . 35 ALA CB . 15756 1 136 . 1 1 35 35 ALA N N 15 130.03 0.20 . 1 . . . . 35 ALA N . 15756 1 137 . 1 1 36 36 GLY H H 1 9.83 0.02 . 1 . . . . 36 GLY H . 15756 1 138 . 1 1 36 36 GLY CA C 13 45.89 0.20 . 1 . . . . 36 GLY CA . 15756 1 139 . 1 1 36 36 GLY N N 15 109.10 0.20 . 1 . . . . 36 GLY N . 15756 1 140 . 1 1 37 37 ARG H H 1 7.68 0.02 . 1 . . . . 37 ARG H . 15756 1 141 . 1 1 37 37 ARG HE H 1 7.49 0.02 . 0 . . . . 37 ARG HE . 15756 1 142 . 1 1 37 37 ARG CA C 13 54.62 0.20 . 1 . . . . 37 ARG CA . 15756 1 143 . 1 1 37 37 ARG CB C 13 31.76 0.20 . 1 . . . . 37 ARG CB . 15756 1 144 . 1 1 37 37 ARG N N 15 117.84 0.20 . 1 . . . . 37 ARG N . 15756 1 145 . 1 1 37 37 ARG NE N 15 85.09 0.20 . 1 . . . . 37 ARG NE . 15756 1 146 . 1 1 38 38 GLY H H 1 9.45 0.02 . 1 . . . . 38 GLY H . 15756 1 147 . 1 1 38 38 GLY CA C 13 47.52 0.20 . 1 . . . . 38 GLY CA . 15756 1 148 . 1 1 38 38 GLY N N 15 115.14 0.20 . 1 . . . . 38 GLY N . 15756 1 149 . 1 1 39 39 ARG H H 1 8.96 0.02 . 1 . . . . 39 ARG H . 15756 1 150 . 1 1 39 39 ARG CA C 13 57.70 0.20 . 1 . . . . 39 ARG CA . 15756 1 151 . 1 1 39 39 ARG CB C 13 31.08 0.20 . 1 . . . . 39 ARG CB . 15756 1 152 . 1 1 39 39 ARG N N 15 119.46 0.20 . 1 . . . . 39 ARG N . 15756 1 153 . 1 1 40 40 ILE H H 1 8.68 0.02 . 1 . . . . 40 ILE H . 15756 1 154 . 1 1 40 40 ILE CA C 13 60.72 0.20 . 1 . . . . 40 ILE CA . 15756 1 155 . 1 1 40 40 ILE CB C 13 42.41 0.20 . 1 . . . . 40 ILE CB . 15756 1 156 . 1 1 40 40 ILE N N 15 127.40 0.20 . 1 . . . . 40 ILE N . 15756 1 157 . 1 1 41 41 SER H H 1 8.53 0.02 . 1 . . . . 41 SER H . 15756 1 158 . 1 1 41 41 SER CA C 13 56.19 0.20 . 1 . . . . 41 SER CA . 15756 1 159 . 1 1 41 41 SER CB C 13 65.09 0.20 . 1 . . . . 41 SER CB . 15756 1 160 . 1 1 41 41 SER N N 15 121.70 0.20 . 1 . . . . 41 SER N . 15756 1 161 . 1 1 42 42 CYS H H 1 8.88 0.02 . 1 . . . . 42 CYS H . 15756 1 162 . 1 1 42 42 CYS CA C 13 55.69 0.20 . 1 . . . . 42 CYS CA . 15756 1 163 . 1 1 42 42 CYS CB C 13 49.41 0.20 . 1 . . . . 42 CYS CB . 15756 1 164 . 1 1 42 42 CYS N N 15 124.96 0.20 . 1 . . . . 42 CYS N . 15756 1 165 . 1 1 43 43 THR H H 1 9.21 0.02 . 1 . . . . 43 THR H . 15756 1 166 . 1 1 43 43 THR CA C 13 59.94 0.20 . 1 . . . . 43 THR CA . 15756 1 167 . 1 1 43 43 THR CB C 13 71.28 0.20 . 1 . . . . 43 THR CB . 15756 1 168 . 1 1 43 43 THR N N 15 115.96 0.20 . 1 . . . . 43 THR N . 15756 1 169 . 1 1 44 44 ILE H H 1 8.49 0.02 . 1 . . . . 44 ILE H . 15756 1 170 . 1 1 44 44 ILE CA C 13 62.06 0.20 . 1 . . . . 44 ILE CA . 15756 1 171 . 1 1 44 44 ILE CB C 13 37.92 0.20 . 1 . . . . 44 ILE CB . 15756 1 172 . 1 1 44 44 ILE N N 15 124.68 0.20 . 1 . . . . 44 ILE N . 15756 1 173 . 1 1 45 45 ALA H H 1 8.57 0.02 . 1 . . . . 45 ALA H . 15756 1 174 . 1 1 45 45 ALA CA C 13 53.67 0.20 . 1 . . . . 45 ALA CA . 15756 1 175 . 1 1 45 45 ALA CB C 13 19.54 0.20 . 1 . . . . 45 ALA CB . 15756 1 176 . 1 1 45 45 ALA N N 15 127.58 0.20 . 1 . . . . 45 ALA N . 15756 1 177 . 1 1 46 46 ASN H H 1 8.59 0.02 . 1 . . . . 46 ASN H . 15756 1 178 . 1 1 46 46 ASN CA C 13 52.17 0.20 . 1 . . . . 46 ASN CA . 15756 1 179 . 1 1 46 46 ASN CB C 13 38.60 0.20 . 1 . . . . 46 ASN CB . 15756 1 180 . 1 1 46 46 ASN N N 15 118.20 0.20 . 1 . . . . 46 ASN N . 15756 1 181 . 1 1 47 47 ARG H H 1 7.59 0.02 . 1 . . . . 47 ARG H . 15756 1 182 . 1 1 47 47 ARG CA C 13 54.30 0.20 . 1 . . . . 47 ARG CA . 15756 1 183 . 1 1 47 47 ARG CB C 13 35.04 0.20 . 1 . . . . 47 ARG CB . 15756 1 184 . 1 1 47 47 ARG N N 15 118.24 0.20 . 1 . . . . 47 ARG N . 15756 1 185 . 1 1 48 48 CYS H H 1 8.96 0.02 . 1 . . . . 48 CYS H . 15756 1 186 . 1 1 48 48 CYS CA C 13 56.69 0.20 . 1 . . . . 48 CYS CA . 15756 1 187 . 1 1 48 48 CYS CB C 13 43.74 0.20 . 1 . . . . 48 CYS CB . 15756 1 188 . 1 1 48 48 CYS N N 15 115.58 0.20 . 1 . . . . 48 CYS N . 15756 1 189 . 1 1 49 49 HIS H H 1 9.18 0.02 . 1 . . . . 49 HIS H . 15756 1 190 . 1 1 49 49 HIS CA C 13 56.21 0.20 . 1 . . . . 49 HIS CA . 15756 1 191 . 1 1 49 49 HIS N N 15 122.61 0.20 . 1 . . . . 49 HIS N . 15756 1 192 . 1 1 50 50 GLU H H 1 7.83 0.02 . 1 . . . . 50 GLU H . 15756 1 193 . 1 1 50 50 GLU CA C 13 56.27 0.20 . 1 . . . . 50 GLU CA . 15756 1 194 . 1 1 50 50 GLU CB C 13 32.23 0.20 . 1 . . . . 50 GLU CB . 15756 1 195 . 1 1 50 50 GLU N N 15 124.54 0.20 . 1 . . . . 50 GLU N . 15756 1 196 . 1 1 51 51 GLY H H 1 8.94 0.02 . 1 . . . . 51 GLY H . 15756 1 197 . 1 1 51 51 GLY CA C 13 47.05 0.20 . 1 . . . . 51 GLY CA . 15756 1 198 . 1 1 51 51 GLY N N 15 116.18 0.20 . 1 . . . . 51 GLY N . 15756 1 199 . 1 1 52 52 GLY H H 1 8.54 0.02 . 1 . . . . 52 GLY H . 15756 1 200 . 1 1 52 52 GLY CA C 13 45.10 0.20 . 1 . . . . 52 GLY CA . 15756 1 201 . 1 1 52 52 GLY N N 15 107.21 0.20 . 1 . . . . 52 GLY N . 15756 1 202 . 1 1 53 53 GLN H H 1 7.47 0.02 . 1 . . . . 53 GLN H . 15756 1 203 . 1 1 53 53 GLN CA C 13 53.61 0.20 . 1 . . . . 53 GLN CA . 15756 1 204 . 1 1 53 53 GLN CB C 13 31.43 0.20 . 1 . . . . 53 GLN CB . 15756 1 205 . 1 1 53 53 GLN N N 15 119.39 0.20 . 1 . . . . 53 GLN N . 15756 1 206 . 1 1 54 54 SER H H 1 7.87 0.02 . 1 . . . . 54 SER H . 15756 1 207 . 1 1 54 54 SER CA C 13 56.34 0.20 . 1 . . . . 54 SER CA . 15756 1 208 . 1 1 54 54 SER CB C 13 64.53 0.20 . 1 . . . . 54 SER CB . 15756 1 209 . 1 1 54 54 SER N N 15 115.53 0.20 . 1 . . . . 54 SER N . 15756 1 210 . 1 1 55 55 TYR H H 1 8.59 0.02 . 1 . . . . 55 TYR H . 15756 1 211 . 1 1 55 55 TYR CA C 13 57.34 0.20 . 1 . . . . 55 TYR CA . 15756 1 212 . 1 1 55 55 TYR CB C 13 41.97 0.20 . 1 . . . . 55 TYR CB . 15756 1 213 . 1 1 55 55 TYR N N 15 124.65 0.20 . 1 . . . . 55 TYR N . 15756 1 214 . 1 1 56 56 LYS H H 1 8.98 0.02 . 1 . . . . 56 LYS H . 15756 1 215 . 1 1 56 56 LYS CA C 13 55.11 0.20 . 1 . . . . 56 LYS CA . 15756 1 216 . 1 1 56 56 LYS CB C 13 33.84 0.20 . 1 . . . . 56 LYS CB . 15756 1 217 . 1 1 56 56 LYS N N 15 121.56 0.20 . 1 . . . . 56 LYS N . 15756 1 218 . 1 1 57 57 ILE H H 1 7.99 0.02 . 1 . . . . 57 ILE H . 15756 1 219 . 1 1 57 57 ILE CA C 13 64.18 0.20 . 1 . . . . 57 ILE CA . 15756 1 220 . 1 1 57 57 ILE CB C 13 37.41 0.20 . 1 . . . . 57 ILE CB . 15756 1 221 . 1 1 57 57 ILE N N 15 120.12 0.20 . 1 . . . . 57 ILE N . 15756 1 222 . 1 1 58 58 GLY H H 1 9.20 0.02 . 1 . . . . 58 GLY H . 15756 1 223 . 1 1 58 58 GLY CA C 13 44.85 0.20 . 1 . . . . 58 GLY CA . 15756 1 224 . 1 1 58 58 GLY N N 15 116.80 0.20 . 1 . . . . 58 GLY N . 15756 1 225 . 1 1 59 59 ASP H H 1 8.45 0.02 . 1 . . . . 59 ASP H . 15756 1 226 . 1 1 59 59 ASP CA C 13 55.53 0.20 . 1 . . . . 59 ASP CA . 15756 1 227 . 1 1 59 59 ASP CB C 13 41.80 0.20 . 1 . . . . 59 ASP CB . 15756 1 228 . 1 1 59 59 ASP N N 15 122.64 0.20 . 1 . . . . 59 ASP N . 15756 1 229 . 1 1 60 60 THR H H 1 8.03 0.02 . 1 . . . . 60 THR H . 15756 1 230 . 1 1 60 60 THR CA C 13 59.30 0.20 . 1 . . . . 60 THR CA . 15756 1 231 . 1 1 60 60 THR CB C 13 72.58 0.20 . 1 . . . . 60 THR CB . 15756 1 232 . 1 1 60 60 THR N N 15 108.56 0.20 . 1 . . . . 60 THR N . 15756 1 233 . 1 1 61 61 TRP H H 1 8.52 0.02 . 1 . . . . 61 TRP H . 15756 1 234 . 1 1 61 61 TRP HE1 H 1 9.51 0.02 . 1 . . . . 61 TRP HE1 . 15756 1 235 . 1 1 61 61 TRP CA C 13 56.74 0.20 . 1 . . . . 61 TRP CA . 15756 1 236 . 1 1 61 61 TRP CB C 13 31.89 0.20 . 1 . . . . 61 TRP CB . 15756 1 237 . 1 1 61 61 TRP N N 15 121.50 0.20 . 1 . . . . 61 TRP N . 15756 1 238 . 1 1 61 61 TRP NE1 N 15 128.03 0.20 . 1 . . . . 61 TRP NE1 . 15756 1 239 . 1 1 62 62 ARG CA C 13 54.21 0.20 . 1 . . . . 62 ARG CA . 15756 1 240 . 1 1 62 62 ARG CB C 13 33.37 0.20 . 1 . . . . 62 ARG CB . 15756 1 241 . 1 1 63 63 ARG H H 1 8.53 0.02 . 1 . . . . 63 ARG H . 15756 1 242 . 1 1 63 63 ARG CA C 13 53.31 0.20 . 1 . . . . 63 ARG CA . 15756 1 243 . 1 1 63 63 ARG CB C 13 31.03 0.20 . 1 . . . . 63 ARG CB . 15756 1 244 . 1 1 63 63 ARG N N 15 119.13 0.20 . 1 . . . . 63 ARG N . 15756 1 245 . 1 1 64 64 PRO CA C 13 62.71 0.20 . 1 . . . . 64 PRO CA . 15756 1 246 . 1 1 64 64 PRO CB C 13 31.88 0.20 . 1 . . . . 64 PRO CB . 15756 1 247 . 1 1 65 65 HIS H H 1 8.81 0.02 . 1 . . . . 65 HIS H . 15756 1 248 . 1 1 65 65 HIS CA C 13 58.98 0.20 . 1 . . . . 65 HIS CA . 15756 1 249 . 1 1 65 65 HIS CB C 13 31.07 0.20 . 1 . . . . 65 HIS CB . 15756 1 250 . 1 1 65 65 HIS N N 15 123.09 0.20 . 1 . . . . 65 HIS N . 15756 1 251 . 1 1 66 66 GLU H H 1 8.72 0.02 . 1 . . . . 66 GLU H . 15756 1 252 . 1 1 66 66 GLU CA C 13 60.08 0.20 . 1 . . . . 66 GLU CA . 15756 1 253 . 1 1 66 66 GLU CB C 13 29.50 0.20 . 1 . . . . 66 GLU CB . 15756 1 254 . 1 1 66 66 GLU N N 15 127.34 0.20 . 1 . . . . 66 GLU N . 15756 1 255 . 1 1 67 67 THR H H 1 8.41 0.02 . 1 . . . . 67 THR H . 15756 1 256 . 1 1 67 67 THR CA C 13 62.72 0.20 . 1 . . . . 67 THR CA . 15756 1 257 . 1 1 67 67 THR CB C 13 70.49 0.20 . 1 . . . . 67 THR CB . 15756 1 258 . 1 1 67 67 THR N N 15 109.33 0.20 . 1 . . . . 67 THR N . 15756 1 259 . 1 1 68 68 GLY H H 1 10.05 0.02 . 1 . . . . 68 GLY H . 15756 1 260 . 1 1 68 68 GLY CA C 13 45.62 0.20 . 1 . . . . 68 GLY CA . 15756 1 261 . 1 1 68 68 GLY N N 15 113.54 0.20 . 1 . . . . 68 GLY N . 15756 1 262 . 1 1 69 69 GLY H H 1 8.09 0.02 . 1 . . . . 69 GLY H . 15756 1 263 . 1 1 69 69 GLY CA C 13 46.39 0.20 . 1 . . . . 69 GLY CA . 15756 1 264 . 1 1 69 69 GLY N N 15 107.50 0.20 . 1 . . . . 69 GLY N . 15756 1 265 . 1 1 70 70 TYR H H 1 6.66 0.02 . 1 . . . . 70 TYR H . 15756 1 266 . 1 1 70 70 TYR CA C 13 54.56 0.20 . 1 . . . . 70 TYR CA . 15756 1 267 . 1 1 70 70 TYR CB C 13 38.73 0.20 . 1 . . . . 70 TYR CB . 15756 1 268 . 1 1 70 70 TYR N N 15 114.25 0.20 . 1 . . . . 70 TYR N . 15756 1 269 . 1 1 71 71 MET H H 1 8.95 0.02 . 1 . . . . 71 MET H . 15756 1 270 . 1 1 71 71 MET CA C 13 54.30 0.20 . 1 . . . . 71 MET CA . 15756 1 271 . 1 1 71 71 MET CB C 13 32.66 0.20 . 1 . . . . 71 MET CB . 15756 1 272 . 1 1 71 71 MET N N 15 119.93 0.20 . 1 . . . . 71 MET N . 15756 1 273 . 1 1 72 72 LEU H H 1 8.75 0.02 . 1 . . . . 72 LEU H . 15756 1 274 . 1 1 72 72 LEU CA C 13 53.21 0.20 . 1 . . . . 72 LEU CA . 15756 1 275 . 1 1 72 72 LEU CB C 13 45.80 0.20 . 1 . . . . 72 LEU CB . 15756 1 276 . 1 1 72 72 LEU N N 15 121.43 0.20 . 1 . . . . 72 LEU N . 15756 1 277 . 1 1 73 73 GLU H H 1 9.01 0.02 . 1 . . . . 73 GLU H . 15756 1 278 . 1 1 73 73 GLU CA C 13 55.48 0.20 . 1 . . . . 73 GLU CA . 15756 1 279 . 1 1 73 73 GLU CB C 13 33.08 0.20 . 1 . . . . 73 GLU CB . 15756 1 280 . 1 1 73 73 GLU N N 15 119.21 0.20 . 1 . . . . 73 GLU N . 15756 1 281 . 1 1 74 74 CYS H H 1 9.18 0.02 . 1 . . . . 74 CYS H . 15756 1 282 . 1 1 74 74 CYS CA C 13 54.81 0.20 . 1 . . . . 74 CYS CA . 15756 1 283 . 1 1 74 74 CYS CB C 13 46.53 0.20 . 1 . . . . 74 CYS CB . 15756 1 284 . 1 1 74 74 CYS N N 15 128.57 0.20 . 1 . . . . 74 CYS N . 15756 1 285 . 1 1 75 75 VAL CA C 13 58.81 0.20 . 1 . . . . 75 VAL CA . 15756 1 286 . 1 1 76 76 CYS H H 1 8.22 0.02 . 1 . . . . 76 CYS H . 15756 1 287 . 1 1 76 76 CYS CA C 13 54.65 0.20 . 1 . . . . 76 CYS CA . 15756 1 288 . 1 1 76 76 CYS CB C 13 37.82 0.20 . 1 . . . . 76 CYS CB . 15756 1 289 . 1 1 76 76 CYS N N 15 123.12 0.20 . 1 . . . . 76 CYS N . 15756 1 290 . 1 1 77 77 LEU H H 1 9.09 0.02 . 1 . . . . 77 LEU H . 15756 1 291 . 1 1 77 77 LEU CA C 13 55.89 0.20 . 1 . . . . 77 LEU CA . 15756 1 292 . 1 1 77 77 LEU CB C 13 43.31 0.20 . 1 . . . . 77 LEU CB . 15756 1 293 . 1 1 77 77 LEU N N 15 132.24 0.20 . 1 . . . . 77 LEU N . 15756 1 294 . 1 1 78 78 GLY H H 1 8.91 0.02 . 1 . . . . 78 GLY H . 15756 1 295 . 1 1 78 78 GLY CA C 13 47.20 0.20 . 1 . . . . 78 GLY CA . 15756 1 296 . 1 1 78 78 GLY N N 15 105.55 0.20 . 1 . . . . 78 GLY N . 15756 1 297 . 1 1 79 79 ASN H H 1 8.61 0.02 . 1 . . . . 79 ASN H . 15756 1 298 . 1 1 79 79 ASN CA C 13 54.23 0.20 . 1 . . . . 79 ASN CA . 15756 1 299 . 1 1 79 79 ASN CB C 13 36.82 0.20 . 1 . . . . 79 ASN CB . 15756 1 300 . 1 1 79 79 ASN N N 15 124.71 0.20 . 1 . . . . 79 ASN N . 15756 1 301 . 1 1 80 80 GLY H H 1 8.85 0.02 . 1 . . . . 80 GLY H . 15756 1 302 . 1 1 80 80 GLY CA C 13 46.01 0.20 . 1 . . . . 80 GLY CA . 15756 1 303 . 1 1 80 80 GLY N N 15 105.17 0.20 . 1 . . . . 80 GLY N . 15756 1 304 . 1 1 81 81 LYS H H 1 7.65 0.02 . 1 . . . . 81 LYS H . 15756 1 305 . 1 1 81 81 LYS CA C 13 55.38 0.20 . 1 . . . . 81 LYS CA . 15756 1 306 . 1 1 81 81 LYS CB C 13 34.01 0.20 . 1 . . . . 81 LYS CB . 15756 1 307 . 1 1 81 81 LYS N N 15 117.22 0.20 . 1 . . . . 81 LYS N . 15756 1 308 . 1 1 82 82 GLY H H 1 8.95 0.02 . 1 . . . . 82 GLY H . 15756 1 309 . 1 1 82 82 GLY CA C 13 47.63 0.20 . 1 . . . . 82 GLY CA . 15756 1 310 . 1 1 82 82 GLY N N 15 114.06 0.20 . 1 . . . . 82 GLY N . 15756 1 311 . 1 1 83 83 GLU H H 1 8.60 0.02 . 1 . . . . 83 GLU H . 15756 1 312 . 1 1 83 83 GLU CA C 13 57.27 0.20 . 1 . . . . 83 GLU CA . 15756 1 313 . 1 1 83 83 GLU CB C 13 31.04 0.20 . 1 . . . . 83 GLU CB . 15756 1 314 . 1 1 83 83 GLU N N 15 119.38 0.20 . 1 . . . . 83 GLU N . 15756 1 315 . 1 1 84 84 TRP H H 1 8.26 0.02 . 1 . . . . 84 TRP H . 15756 1 316 . 1 1 84 84 TRP HE1 H 1 10.21 0.02 . 1 . . . . 84 TRP HE1 . 15756 1 317 . 1 1 84 84 TRP CA C 13 54.93 0.20 . 1 . . . . 84 TRP CA . 15756 1 318 . 1 1 84 84 TRP CB C 13 34.41 0.20 . 1 . . . . 84 TRP CB . 15756 1 319 . 1 1 84 84 TRP N N 15 123.25 0.20 . 1 . . . . 84 TRP N . 15756 1 320 . 1 1 84 84 TRP NE1 N 15 130.10 0.20 . 1 . . . . 84 TRP NE1 . 15756 1 321 . 1 1 85 85 THR H H 1 8.40 0.02 . 1 . . . . 85 THR H . 15756 1 322 . 1 1 85 85 THR CA C 13 60.36 0.20 . 1 . . . . 85 THR CA . 15756 1 323 . 1 1 85 85 THR CB C 13 70.76 0.20 . 1 . . . . 85 THR CB . 15756 1 324 . 1 1 85 85 THR N N 15 112.75 0.20 . 1 . . . . 85 THR N . 15756 1 325 . 1 1 86 86 CYS H H 1 8.60 0.02 . 1 . . . . 86 CYS H . 15756 1 326 . 1 1 86 86 CYS CA C 13 55.52 0.20 . 1 . . . . 86 CYS CA . 15756 1 327 . 1 1 86 86 CYS CB C 13 50.33 0.20 . 1 . . . . 86 CYS CB . 15756 1 328 . 1 1 86 86 CYS N N 15 121.15 0.20 . 1 . . . . 86 CYS N . 15756 1 329 . 1 1 87 87 LYS H H 1 8.91 0.02 . 1 . . . . 87 LYS H . 15756 1 330 . 1 1 87 87 LYS N N 15 121.49 0.20 . 1 . . . . 87 LYS N . 15756 1 331 . 1 1 88 88 PRO CA C 13 63.30 0.20 . 1 . . . . 88 PRO CA . 15756 1 332 . 1 1 88 88 PRO CB C 13 31.99 0.20 . 1 . . . . 88 PRO CB . 15756 1 333 . 1 1 89 89 ILE H H 1 7.92 0.02 . 1 . . . . 89 ILE H . 15756 1 334 . 1 1 89 89 ILE CA C 13 62.77 0.20 . 1 . . . . 89 ILE CA . 15756 1 335 . 1 1 89 89 ILE CB C 13 40.10 0.20 . 1 . . . . 89 ILE CB . 15756 1 336 . 1 1 89 89 ILE N N 15 125.49 0.20 . 1 . . . . 89 ILE N . 15756 1 stop_ save_