data_15759 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15759 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of the 3FNIII module 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 . . . 15759 2 Iain Campbell . D. . 15759 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15759 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 15759 '15N chemical shifts' 80 15759 '1H chemical shifts' 80 15759 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' 15759 1 . . 2009-04-15 2008-05-06 original author 'original release' 15759 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15759 _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 . . . 15759 1 2 David Staunton . . . 15759 1 3 Ian Ellis . R. . 15759 1 4 Peter Sarkies . . . 15759 1 5 Aleksandra Flanagan . . . 15759 1 6 Ana Schor . M. . 15759 1 7 Seth Schor . L. . 15759 1 8 Iain Campbell . D. . 15759 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cell migration' 15759 1 fibronectin 15759 1 'protein interactions' 15759 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15759 _Assembly.ID 1 _Assembly.Name 3F3 _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 10256.2 _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 $3F3 A . yes native no no 1 . . 15759 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_3F3 _Entity.Sf_category entity _Entity.Sf_framecode 3F3 _Entity.Entry_ID 15759 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 3F3 _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 ; GPLGSAPDAPPDPTVDQVDD TSIVVRWSRPQAPITGYRIV YSPSVEGSSTELNLPETANS VTLSDLQPGVQYNITIYAVE ENQESTPVVIQQETTG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'third type III domain from human fibronectin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10256.2 _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 BMRB 25564 . entity . . . . . 95.83 106 98.91 100.00 2.97e-55 . . . . 15759 1 2 no PDB 2N1K . "Structure Of The Third Type Iii Domain From Human Fibronectin" . . . . . 95.83 106 98.91 100.00 2.97e-55 . . . . 15759 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Extracellular matrix component' 15759 1 'Structural protein' 15759 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 . GLY . 15759 1 2 . PRO . 15759 1 3 . LEU . 15759 1 4 . GLY . 15759 1 5 . SER . 15759 1 6 . ALA . 15759 1 7 . PRO . 15759 1 8 . ASP . 15759 1 9 . ALA . 15759 1 10 . PRO . 15759 1 11 . PRO . 15759 1 12 . ASP . 15759 1 13 . PRO . 15759 1 14 . THR . 15759 1 15 . VAL . 15759 1 16 . ASP . 15759 1 17 . GLN . 15759 1 18 . VAL . 15759 1 19 . ASP . 15759 1 20 . ASP . 15759 1 21 . THR . 15759 1 22 . SER . 15759 1 23 . ILE . 15759 1 24 . VAL . 15759 1 25 . VAL . 15759 1 26 . ARG . 15759 1 27 . TRP . 15759 1 28 . SER . 15759 1 29 . ARG . 15759 1 30 . PRO . 15759 1 31 . GLN . 15759 1 32 . ALA . 15759 1 33 . PRO . 15759 1 34 . ILE . 15759 1 35 . THR . 15759 1 36 . GLY . 15759 1 37 . TYR . 15759 1 38 . ARG . 15759 1 39 . ILE . 15759 1 40 . VAL . 15759 1 41 . TYR . 15759 1 42 . SER . 15759 1 43 . PRO . 15759 1 44 . SER . 15759 1 45 . VAL . 15759 1 46 . GLU . 15759 1 47 . GLY . 15759 1 48 . SER . 15759 1 49 . SER . 15759 1 50 . THR . 15759 1 51 . GLU . 15759 1 52 . LEU . 15759 1 53 . ASN . 15759 1 54 . LEU . 15759 1 55 . PRO . 15759 1 56 . GLU . 15759 1 57 . THR . 15759 1 58 . ALA . 15759 1 59 . ASN . 15759 1 60 . SER . 15759 1 61 . VAL . 15759 1 62 . THR . 15759 1 63 . LEU . 15759 1 64 . SER . 15759 1 65 . ASP . 15759 1 66 . LEU . 15759 1 67 . GLN . 15759 1 68 . PRO . 15759 1 69 . GLY . 15759 1 70 . VAL . 15759 1 71 . GLN . 15759 1 72 . TYR . 15759 1 73 . ASN . 15759 1 74 . ILE . 15759 1 75 . THR . 15759 1 76 . ILE . 15759 1 77 . TYR . 15759 1 78 . ALA . 15759 1 79 . VAL . 15759 1 80 . GLU . 15759 1 81 . GLU . 15759 1 82 . ASN . 15759 1 83 . GLN . 15759 1 84 . GLU . 15759 1 85 . SER . 15759 1 86 . THR . 15759 1 87 . PRO . 15759 1 88 . VAL . 15759 1 89 . VAL . 15759 1 90 . ILE . 15759 1 91 . GLN . 15759 1 92 . GLN . 15759 1 93 . GLU . 15759 1 94 . THR . 15759 1 95 . THR . 15759 1 96 . GLY . 15759 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 . GLY 1 1 15759 1 . PRO 2 2 15759 1 . LEU 3 3 15759 1 . GLY 4 4 15759 1 . SER 5 5 15759 1 . ALA 6 6 15759 1 . PRO 7 7 15759 1 . ASP 8 8 15759 1 . ALA 9 9 15759 1 . PRO 10 10 15759 1 . PRO 11 11 15759 1 . ASP 12 12 15759 1 . PRO 13 13 15759 1 . THR 14 14 15759 1 . VAL 15 15 15759 1 . ASP 16 16 15759 1 . GLN 17 17 15759 1 . VAL 18 18 15759 1 . ASP 19 19 15759 1 . ASP 20 20 15759 1 . THR 21 21 15759 1 . SER 22 22 15759 1 . ILE 23 23 15759 1 . VAL 24 24 15759 1 . VAL 25 25 15759 1 . ARG 26 26 15759 1 . TRP 27 27 15759 1 . SER 28 28 15759 1 . ARG 29 29 15759 1 . PRO 30 30 15759 1 . GLN 31 31 15759 1 . ALA 32 32 15759 1 . PRO 33 33 15759 1 . ILE 34 34 15759 1 . THR 35 35 15759 1 . GLY 36 36 15759 1 . TYR 37 37 15759 1 . ARG 38 38 15759 1 . ILE 39 39 15759 1 . VAL 40 40 15759 1 . TYR 41 41 15759 1 . SER 42 42 15759 1 . PRO 43 43 15759 1 . SER 44 44 15759 1 . VAL 45 45 15759 1 . GLU 46 46 15759 1 . GLY 47 47 15759 1 . SER 48 48 15759 1 . SER 49 49 15759 1 . THR 50 50 15759 1 . GLU 51 51 15759 1 . LEU 52 52 15759 1 . ASN 53 53 15759 1 . LEU 54 54 15759 1 . PRO 55 55 15759 1 . GLU 56 56 15759 1 . THR 57 57 15759 1 . ALA 58 58 15759 1 . ASN 59 59 15759 1 . SER 60 60 15759 1 . VAL 61 61 15759 1 . THR 62 62 15759 1 . LEU 63 63 15759 1 . SER 64 64 15759 1 . ASP 65 65 15759 1 . LEU 66 66 15759 1 . GLN 67 67 15759 1 . PRO 68 68 15759 1 . GLY 69 69 15759 1 . VAL 70 70 15759 1 . GLN 71 71 15759 1 . TYR 72 72 15759 1 . ASN 73 73 15759 1 . ILE 74 74 15759 1 . THR 75 75 15759 1 . ILE 76 76 15759 1 . TYR 77 77 15759 1 . ALA 78 78 15759 1 . VAL 79 79 15759 1 . GLU 80 80 15759 1 . GLU 81 81 15759 1 . ASN 82 82 15759 1 . GLN 83 83 15759 1 . GLU 84 84 15759 1 . SER 85 85 15759 1 . THR 86 86 15759 1 . PRO 87 87 15759 1 . VAL 88 88 15759 1 . VAL 89 89 15759 1 . ILE 90 90 15759 1 . GLN 91 91 15759 1 . GLN 92 92 15759 1 . GLU 93 93 15759 1 . THR 94 94 15759 1 . THR 95 95 15759 1 . GLY 96 96 15759 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 15759 _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 $3F3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FN1 . . . . 15759 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 15759 _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 $3F3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-6P-2 . . . . . . 15759 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15759 _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 3F3 'natural abundance' . . 1 $3F3 . . 0.7 . . mM . . . . 15759 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15759 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15759 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15759 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15759 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15759 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 15759 _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 15759 1 pH 6 0.05 pH 15759 1 pressure 1 . atm 15759 1 temperature 303 . K 15759 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15759 _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' . . 15759 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15759 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15759 _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 . . 15759 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15759 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15759 _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' . . 15759 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15759 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 15759 _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 15759 _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 . . . 15759 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 15759 _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 . . . . . . . . . . . . . . . . 15759 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15759 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15759 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 15759 _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 . . . . . . . . . 15759 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15759 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15759 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 15759 _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' . . . 15759 1 2 '3D CBCA(CO)NH' . . . 15759 1 3 '3D HNCACB' . . . 15759 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 63.25 0.20 . 1 . . . . 2 PRO CA . 15759 1 2 . 1 1 2 2 PRO CB C 13 32.33 0.20 . 1 . . . . 2 PRO CB . 15759 1 3 . 1 1 3 3 LEU H H 1 8.51 0.02 . 1 . . . . 3 LEU H . 15759 1 4 . 1 1 3 3 LEU CA C 13 55.54 0.20 . 1 . . . . 3 LEU CA . 15759 1 5 . 1 1 3 3 LEU CB C 13 42.22 0.20 . 1 . . . . 3 LEU CB . 15759 1 6 . 1 1 3 3 LEU N N 15 122.14 0.20 . 1 . . . . 3 LEU N . 15759 1 7 . 1 1 4 4 GLY H H 1 8.35 0.02 . 1 . . . . 4 GLY H . 15759 1 8 . 1 1 4 4 GLY CA C 13 45.33 0.20 . 1 . . . . 4 GLY CA . 15759 1 9 . 1 1 4 4 GLY N N 15 110.04 0.20 . 1 . . . . 4 GLY N . 15759 1 10 . 1 1 5 5 SER H H 1 8.08 0.02 . 1 . . . . 5 SER H . 15759 1 11 . 1 1 5 5 SER CA C 13 57.94 0.20 . 1 . . . . 5 SER CA . 15759 1 12 . 1 1 5 5 SER CB C 13 64.30 0.20 . 1 . . . . 5 SER CB . 15759 1 13 . 1 1 5 5 SER N N 15 115.69 0.20 . 1 . . . . 5 SER N . 15759 1 14 . 1 1 6 6 ALA H H 1 8.24 0.02 . 1 . . . . 6 ALA H . 15759 1 15 . 1 1 6 6 ALA CA C 13 50.60 0.20 . 1 . . . . 6 ALA CA . 15759 1 16 . 1 1 6 6 ALA CB C 13 18.02 0.20 . 1 . . . . 6 ALA CB . 15759 1 17 . 1 1 6 6 ALA N N 15 125.86 0.20 . 1 . . . . 6 ALA N . 15759 1 18 . 1 1 7 7 PRO CA C 13 62.58 0.20 . 1 . . . . 7 PRO CA . 15759 1 19 . 1 1 7 7 PRO CB C 13 31.69 0.20 . 1 . . . . 7 PRO CB . 15759 1 20 . 1 1 8 8 ASP H H 1 9.05 0.02 . 1 . . . . 8 ASP H . 15759 1 21 . 1 1 8 8 ASP CA C 13 53.12 0.20 . 1 . . . . 8 ASP CA . 15759 1 22 . 1 1 8 8 ASP CB C 13 39.54 0.20 . 1 . . . . 8 ASP CB . 15759 1 23 . 1 1 8 8 ASP N N 15 116.20 0.20 . 1 . . . . 8 ASP N . 15759 1 24 . 1 1 9 9 ALA H H 1 7.90 0.02 . 1 . . . . 9 ALA H . 15759 1 25 . 1 1 9 9 ALA CA C 13 50.06 0.20 . 1 . . . . 9 ALA CA . 15759 1 26 . 1 1 9 9 ALA CB C 13 17.72 0.20 . 1 . . . . 9 ALA CB . 15759 1 27 . 1 1 9 9 ALA N N 15 119.98 0.20 . 1 . . . . 9 ALA N . 15759 1 28 . 1 1 11 11 PRO CA C 13 62.71 0.20 . 1 . . . . 11 PRO CA . 15759 1 29 . 1 1 11 11 PRO CB C 13 31.95 0.20 . 1 . . . . 11 PRO CB . 15759 1 30 . 1 1 12 12 ASP H H 1 8.78 0.02 . 1 . . . . 12 ASP H . 15759 1 31 . 1 1 12 12 ASP CA C 13 54.76 0.20 . 1 . . . . 12 ASP CA . 15759 1 32 . 1 1 12 12 ASP CB C 13 44.13 0.20 . 1 . . . . 12 ASP CB . 15759 1 33 . 1 1 12 12 ASP N N 15 129.77 0.20 . 1 . . . . 12 ASP N . 15759 1 34 . 1 1 13 13 PRO CA C 13 63.34 0.20 . 1 . . . . 13 PRO CA . 15759 1 35 . 1 1 13 13 PRO CB C 13 31.31 0.20 . 1 . . . . 13 PRO CB . 15759 1 36 . 1 1 14 14 THR H H 1 9.39 0.02 . 1 . . . . 14 THR H . 15759 1 37 . 1 1 14 14 THR CA C 13 61.21 0.20 . 1 . . . . 14 THR CA . 15759 1 38 . 1 1 14 14 THR CB C 13 72.44 0.20 . 1 . . . . 14 THR CB . 15759 1 39 . 1 1 14 14 THR N N 15 117.92 0.20 . 1 . . . . 14 THR N . 15759 1 40 . 1 1 15 15 VAL H H 1 8.61 0.02 . 1 . . . . 15 VAL H . 15759 1 41 . 1 1 15 15 VAL CA C 13 62.62 0.20 . 1 . . . . 15 VAL CA . 15759 1 42 . 1 1 15 15 VAL N N 15 124.54 0.20 . 1 . . . . 15 VAL N . 15759 1 43 . 1 1 16 16 ASP H H 1 8.55 0.02 . 1 . . . . 16 ASP H . 15759 1 44 . 1 1 16 16 ASP CA C 13 55.57 0.20 . 1 . . . . 16 ASP CA . 15759 1 45 . 1 1 16 16 ASP CB C 13 42.28 0.20 . 1 . . . . 16 ASP CB . 15759 1 46 . 1 1 16 16 ASP N N 15 122.85 0.20 . 1 . . . . 16 ASP N . 15759 1 47 . 1 1 18 18 VAL CA C 13 62.84 0.20 . 1 . . . . 18 VAL CA . 15759 1 48 . 1 1 18 18 VAL CB C 13 32.51 0.20 . 1 . . . . 18 VAL CB . 15759 1 49 . 1 1 19 19 ASP H H 1 8.44 0.02 . 1 . . . . 19 ASP H . 15759 1 50 . 1 1 19 19 ASP CA C 13 54.06 0.20 . 1 . . . . 19 ASP CA . 15759 1 51 . 1 1 19 19 ASP CB C 13 41.17 0.20 . 1 . . . . 19 ASP CB . 15759 1 52 . 1 1 19 19 ASP N N 15 117.36 0.20 . 1 . . . . 19 ASP N . 15759 1 53 . 1 1 21 21 THR CA C 13 59.47 0.20 . 1 . . . . 21 THR CA . 15759 1 54 . 1 1 21 21 THR CB C 13 71.56 0.20 . 1 . . . . 21 THR CB . 15759 1 55 . 1 1 22 22 SER H H 1 7.70 0.02 . 1 . . . . 22 SER H . 15759 1 56 . 1 1 22 22 SER CA C 13 57.45 0.20 . 1 . . . . 22 SER CA . 15759 1 57 . 1 1 22 22 SER CB C 13 67.17 0.20 . 1 . . . . 22 SER CB . 15759 1 58 . 1 1 22 22 SER N N 15 116.21 0.20 . 1 . . . . 22 SER N . 15759 1 59 . 1 1 23 23 ILE H H 1 8.13 0.02 . 1 . . . . 23 ILE H . 15759 1 60 . 1 1 23 23 ILE CA C 13 60.97 0.20 . 1 . . . . 23 ILE CA . 15759 1 61 . 1 1 23 23 ILE CB C 13 44.64 0.20 . 1 . . . . 23 ILE CB . 15759 1 62 . 1 1 23 23 ILE N N 15 118.67 0.20 . 1 . . . . 23 ILE N . 15759 1 63 . 1 1 24 24 VAL H H 1 8.64 0.02 . 1 . . . . 24 VAL H . 15759 1 64 . 1 1 24 24 VAL CA C 13 61.25 0.20 . 1 . . . . 24 VAL CA . 15759 1 65 . 1 1 24 24 VAL CB C 13 33.58 0.20 . 1 . . . . 24 VAL CB . 15759 1 66 . 1 1 24 24 VAL N N 15 126.62 0.20 . 1 . . . . 24 VAL N . 15759 1 67 . 1 1 25 25 VAL H H 1 8.65 0.02 . 1 . . . . 25 VAL H . 15759 1 68 . 1 1 25 25 VAL CA C 13 60.20 0.20 . 1 . . . . 25 VAL CA . 15759 1 69 . 1 1 25 25 VAL CB C 13 34.67 0.20 . 1 . . . . 25 VAL CB . 15759 1 70 . 1 1 25 25 VAL N N 15 127.72 0.20 . 1 . . . . 25 VAL N . 15759 1 71 . 1 1 26 26 ARG H H 1 9.06 0.02 . 1 . . . . 26 ARG H . 15759 1 72 . 1 1 26 26 ARG CA C 13 54.64 0.20 . 1 . . . . 26 ARG CA . 15759 1 73 . 1 1 26 26 ARG CB C 13 34.00 0.20 . 1 . . . . 26 ARG CB . 15759 1 74 . 1 1 26 26 ARG N N 15 124.07 0.20 . 1 . . . . 26 ARG N . 15759 1 75 . 1 1 27 27 TRP H H 1 7.49 0.02 . 1 . . . . 27 TRP H . 15759 1 76 . 1 1 27 27 TRP HE1 H 1 6.38 0.02 . 1 . . . . 27 TRP HE1 . 15759 1 77 . 1 1 27 27 TRP CA C 13 57.38 0.20 . 1 . . . . 27 TRP CA . 15759 1 78 . 1 1 27 27 TRP CB C 13 30.03 0.20 . 1 . . . . 27 TRP CB . 15759 1 79 . 1 1 27 27 TRP N N 15 116.38 0.20 . 1 . . . . 27 TRP N . 15759 1 80 . 1 1 27 27 TRP NE1 N 15 122.98 0.20 . 1 . . . . 27 TRP NE1 . 15759 1 81 . 1 1 28 28 SER H H 1 8.95 0.02 . 1 . . . . 28 SER H . 15759 1 82 . 1 1 28 28 SER CA C 13 57.53 0.20 . 1 . . . . 28 SER CA . 15759 1 83 . 1 1 28 28 SER CB C 13 64.02 0.20 . 1 . . . . 28 SER CB . 15759 1 84 . 1 1 28 28 SER N N 15 116.45 0.20 . 1 . . . . 28 SER N . 15759 1 85 . 1 1 29 29 ARG H H 1 8.29 0.02 . 1 . . . . 29 ARG H . 15759 1 86 . 1 1 29 29 ARG CA C 13 55.06 0.20 . 1 . . . . 29 ARG CA . 15759 1 87 . 1 1 29 29 ARG CB C 13 31.21 0.20 . 1 . . . . 29 ARG CB . 15759 1 88 . 1 1 29 29 ARG N N 15 122.05 0.20 . 1 . . . . 29 ARG N . 15759 1 89 . 1 1 30 30 PRO CA C 13 62.69 0.20 . 1 . . . . 30 PRO CA . 15759 1 90 . 1 1 30 30 PRO CB C 13 32.72 0.20 . 1 . . . . 30 PRO CB . 15759 1 91 . 1 1 31 31 GLN H H 1 10.31 0.02 . 1 . . . . 31 GLN H . 15759 1 92 . 1 1 31 31 GLN CA C 13 57.38 0.20 . 1 . . . . 31 GLN CA . 15759 1 93 . 1 1 31 31 GLN CB C 13 29.33 0.20 . 1 . . . . 31 GLN CB . 15759 1 94 . 1 1 31 31 GLN N N 15 122.54 0.20 . 1 . . . . 31 GLN N . 15759 1 95 . 1 1 32 32 ALA H H 1 8.76 0.02 . 1 . . . . 32 ALA H . 15759 1 96 . 1 1 32 32 ALA CA C 13 50.61 0.20 . 1 . . . . 32 ALA CA . 15759 1 97 . 1 1 32 32 ALA CB C 13 18.89 0.20 . 1 . . . . 32 ALA CB . 15759 1 98 . 1 1 32 32 ALA N N 15 123.73 0.20 . 1 . . . . 32 ALA N . 15759 1 99 . 1 1 33 33 PRO CA C 13 62.83 0.20 . 1 . . . . 33 PRO CA . 15759 1 100 . 1 1 33 33 PRO CB C 13 29.79 0.20 . 1 . . . . 33 PRO CB . 15759 1 101 . 1 1 34 34 ILE H H 1 7.88 0.02 . 1 . . . . 34 ILE H . 15759 1 102 . 1 1 34 34 ILE CA C 13 60.82 0.20 . 1 . . . . 34 ILE CA . 15759 1 103 . 1 1 34 34 ILE CB C 13 41.41 0.20 . 1 . . . . 34 ILE CB . 15759 1 104 . 1 1 34 34 ILE N N 15 114.90 0.20 . 1 . . . . 34 ILE N . 15759 1 105 . 1 1 35 35 THR H H 1 9.73 0.02 . 1 . . . . 35 THR H . 15759 1 106 . 1 1 35 35 THR CA C 13 61.69 0.20 . 1 . . . . 35 THR CA . 15759 1 107 . 1 1 35 35 THR CB C 13 69.86 0.20 . 1 . . . . 35 THR CB . 15759 1 108 . 1 1 35 35 THR N N 15 109.20 0.20 . 1 . . . . 35 THR N . 15759 1 109 . 1 1 36 36 GLY H H 1 7.61 0.02 . 1 . . . . 36 GLY H . 15759 1 110 . 1 1 36 36 GLY CA C 13 45.48 0.20 . 1 . . . . 36 GLY CA . 15759 1 111 . 1 1 36 36 GLY N N 15 109.25 0.20 . 1 . . . . 36 GLY N . 15759 1 112 . 1 1 37 37 TYR H H 1 8.47 0.02 . 1 . . . . 37 TYR H . 15759 1 113 . 1 1 37 37 TYR CA C 13 56.78 0.20 . 1 . . . . 37 TYR CA . 15759 1 114 . 1 1 37 37 TYR CB C 13 43.12 0.20 . 1 . . . . 37 TYR CB . 15759 1 115 . 1 1 37 37 TYR N N 15 113.78 0.20 . 1 . . . . 37 TYR N . 15759 1 116 . 1 1 38 38 ARG H H 1 9.13 0.02 . 1 . . . . 38 ARG H . 15759 1 117 . 1 1 38 38 ARG CA C 13 55.52 0.20 . 1 . . . . 38 ARG CA . 15759 1 118 . 1 1 38 38 ARG CB C 13 34.46 0.20 . 1 . . . . 38 ARG CB . 15759 1 119 . 1 1 38 38 ARG N N 15 125.03 0.20 . 1 . . . . 38 ARG N . 15759 1 120 . 1 1 39 39 ILE H H 1 9.22 0.02 . 1 . . . . 39 ILE H . 15759 1 121 . 1 1 39 39 ILE CA C 13 58.60 0.20 . 1 . . . . 39 ILE CA . 15759 1 122 . 1 1 39 39 ILE CB C 13 40.10 0.20 . 1 . . . . 39 ILE CB . 15759 1 123 . 1 1 39 39 ILE N N 15 127.04 0.20 . 1 . . . . 39 ILE N . 15759 1 124 . 1 1 40 40 VAL H H 1 9.34 0.02 . 1 . . . . 40 VAL H . 15759 1 125 . 1 1 40 40 VAL CA C 13 60.43 0.20 . 1 . . . . 40 VAL CA . 15759 1 126 . 1 1 40 40 VAL CB C 13 34.93 0.20 . 1 . . . . 40 VAL CB . 15759 1 127 . 1 1 40 40 VAL N N 15 126.80 0.20 . 1 . . . . 40 VAL N . 15759 1 128 . 1 1 41 41 TYR H H 1 9.23 0.02 . 1 . . . . 41 TYR H . 15759 1 129 . 1 1 41 41 TYR CA C 13 55.21 0.20 . 1 . . . . 41 TYR CA . 15759 1 130 . 1 1 41 41 TYR CB C 13 43.14 0.20 . 1 . . . . 41 TYR CB . 15759 1 131 . 1 1 41 41 TYR N N 15 122.87 0.20 . 1 . . . . 41 TYR N . 15759 1 132 . 1 1 42 42 SER H H 1 8.78 0.02 . 1 . . . . 42 SER H . 15759 1 133 . 1 1 42 42 SER CA C 13 55.56 0.20 . 1 . . . . 42 SER CA . 15759 1 134 . 1 1 42 42 SER CB C 13 65.54 0.20 . 1 . . . . 42 SER CB . 15759 1 135 . 1 1 42 42 SER N N 15 114.40 0.20 . 1 . . . . 42 SER N . 15759 1 136 . 1 1 43 43 PRO CA C 13 62.69 0.20 . 1 . . . . 43 PRO CA . 15759 1 137 . 1 1 43 43 PRO CB C 13 31.82 0.20 . 1 . . . . 43 PRO CB . 15759 1 138 . 1 1 44 44 SER H H 1 8.60 0.02 . 1 . . . . 44 SER H . 15759 1 139 . 1 1 44 44 SER CA C 13 60.65 0.20 . 1 . . . . 44 SER CA . 15759 1 140 . 1 1 44 44 SER CB C 13 63.37 0.20 . 1 . . . . 44 SER CB . 15759 1 141 . 1 1 44 44 SER N N 15 118.40 0.20 . 1 . . . . 44 SER N . 15759 1 142 . 1 1 45 45 VAL H H 1 7.58 0.02 . 1 . . . . 45 VAL H . 15759 1 143 . 1 1 45 45 VAL CA C 13 62.74 0.20 . 1 . . . . 45 VAL CA . 15759 1 144 . 1 1 45 45 VAL CB C 13 32.60 0.20 . 1 . . . . 45 VAL CB . 15759 1 145 . 1 1 45 45 VAL N N 15 117.16 0.20 . 1 . . . . 45 VAL N . 15759 1 146 . 1 1 46 46 GLU H H 1 8.12 0.02 . 1 . . . . 46 GLU H . 15759 1 147 . 1 1 46 46 GLU CA C 13 57.12 0.20 . 1 . . . . 46 GLU CA . 15759 1 148 . 1 1 46 46 GLU CB C 13 29.95 0.20 . 1 . . . . 46 GLU CB . 15759 1 149 . 1 1 46 46 GLU N N 15 119.50 0.20 . 1 . . . . 46 GLU N . 15759 1 150 . 1 1 47 47 GLY H H 1 8.10 0.02 . 1 . . . . 47 GLY H . 15759 1 151 . 1 1 47 47 GLY CA C 13 45.35 0.20 . 1 . . . . 47 GLY CA . 15759 1 152 . 1 1 47 47 GLY N N 15 108.13 0.20 . 1 . . . . 47 GLY N . 15759 1 153 . 1 1 48 48 SER H H 1 8.22 0.02 . 1 . . . . 48 SER H . 15759 1 154 . 1 1 48 48 SER CA C 13 57.99 0.20 . 1 . . . . 48 SER CA . 15759 1 155 . 1 1 48 48 SER CB C 13 64.34 0.20 . 1 . . . . 48 SER CB . 15759 1 156 . 1 1 48 48 SER N N 15 115.81 0.20 . 1 . . . . 48 SER N . 15759 1 157 . 1 1 49 49 SER H H 1 8.50 0.02 . 1 . . . . 49 SER H . 15759 1 158 . 1 1 49 49 SER CA C 13 58.12 0.20 . 1 . . . . 49 SER CA . 15759 1 159 . 1 1 49 49 SER CB C 13 64.87 0.20 . 1 . . . . 49 SER CB . 15759 1 160 . 1 1 49 49 SER N N 15 118.01 0.20 . 1 . . . . 49 SER N . 15759 1 161 . 1 1 50 50 THR H H 1 8.35 0.02 . 1 . . . . 50 THR H . 15759 1 162 . 1 1 50 50 THR CA C 13 62.65 0.20 . 1 . . . . 50 THR CA . 15759 1 163 . 1 1 50 50 THR CB C 13 70.75 0.20 . 1 . . . . 50 THR CB . 15759 1 164 . 1 1 50 50 THR N N 15 121.09 0.20 . 1 . . . . 50 THR N . 15759 1 165 . 1 1 51 51 GLU H H 1 8.41 0.02 . 1 . . . . 51 GLU H . 15759 1 166 . 1 1 51 51 GLU CA C 13 54.29 0.20 . 1 . . . . 51 GLU CA . 15759 1 167 . 1 1 51 51 GLU CB C 13 33.37 0.20 . 1 . . . . 51 GLU CB . 15759 1 168 . 1 1 51 51 GLU N N 15 125.14 0.20 . 1 . . . . 51 GLU N . 15759 1 169 . 1 1 52 52 LEU H H 1 9.71 0.02 . 1 . . . . 52 LEU H . 15759 1 170 . 1 1 52 52 LEU CA C 13 54.02 0.20 . 1 . . . . 52 LEU CA . 15759 1 171 . 1 1 52 52 LEU CB C 13 45.55 0.20 . 1 . . . . 52 LEU CB . 15759 1 172 . 1 1 52 52 LEU N N 15 125.59 0.20 . 1 . . . . 52 LEU N . 15759 1 173 . 1 1 53 53 ASN H H 1 8.69 0.02 . 1 . . . . 53 ASN H . 15759 1 174 . 1 1 53 53 ASN CA C 13 53.23 0.20 . 1 . . . . 53 ASN CA . 15759 1 175 . 1 1 53 53 ASN CB C 13 41.31 0.20 . 1 . . . . 53 ASN CB . 15759 1 176 . 1 1 53 53 ASN N N 15 120.64 0.20 . 1 . . . . 53 ASN N . 15759 1 177 . 1 1 54 54 LEU H H 1 9.05 0.02 . 1 . . . . 54 LEU H . 15759 1 178 . 1 1 54 54 LEU CA C 13 51.96 0.20 . 1 . . . . 54 LEU CA . 15759 1 179 . 1 1 54 54 LEU CB C 13 44.70 0.20 . 1 . . . . 54 LEU CB . 15759 1 180 . 1 1 54 54 LEU N N 15 123.57 0.20 . 1 . . . . 54 LEU N . 15759 1 181 . 1 1 55 55 PRO CA C 13 62.46 0.20 . 1 . . . . 55 PRO CA . 15759 1 182 . 1 1 55 55 PRO CB C 13 33.61 0.20 . 1 . . . . 55 PRO CB . 15759 1 183 . 1 1 56 56 GLU H H 1 8.87 0.02 . 1 . . . . 56 GLU H . 15759 1 184 . 1 1 56 56 GLU CA C 13 58.70 0.20 . 1 . . . . 56 GLU CA . 15759 1 185 . 1 1 56 56 GLU CB C 13 28.71 0.20 . 1 . . . . 56 GLU CB . 15759 1 186 . 1 1 56 56 GLU N N 15 117.49 0.20 . 1 . . . . 56 GLU N . 15759 1 187 . 1 1 57 57 THR H H 1 7.05 0.02 . 1 . . . . 57 THR H . 15759 1 188 . 1 1 57 57 THR CA C 13 61.44 0.20 . 1 . . . . 57 THR CA . 15759 1 189 . 1 1 57 57 THR CB C 13 69.26 0.20 . 1 . . . . 57 THR CB . 15759 1 190 . 1 1 57 57 THR N N 15 106.17 0.20 . 1 . . . . 57 THR N . 15759 1 191 . 1 1 58 58 ALA H H 1 7.80 0.02 . 1 . . . . 58 ALA H . 15759 1 192 . 1 1 58 58 ALA CA C 13 53.15 0.20 . 1 . . . . 58 ALA CA . 15759 1 193 . 1 1 58 58 ALA CB C 13 20.95 0.20 . 1 . . . . 58 ALA CB . 15759 1 194 . 1 1 58 58 ALA N N 15 125.61 0.20 . 1 . . . . 58 ALA N . 15759 1 195 . 1 1 59 59 ASN H H 1 8.26 0.02 . 1 . . . . 59 ASN H . 15759 1 196 . 1 1 59 59 ASN CA C 13 51.99 0.20 . 1 . . . . 59 ASN CA . 15759 1 197 . 1 1 59 59 ASN CB C 13 39.47 0.20 . 1 . . . . 59 ASN CB . 15759 1 198 . 1 1 59 59 ASN N N 15 117.63 0.20 . 1 . . . . 59 ASN N . 15759 1 199 . 1 1 60 60 SER H H 1 6.76 0.02 . 1 . . . . 60 SER H . 15759 1 200 . 1 1 60 60 SER CA C 13 56.47 0.20 . 1 . . . . 60 SER CA . 15759 1 201 . 1 1 60 60 SER CB C 13 65.45 0.20 . 1 . . . . 60 SER CB . 15759 1 202 . 1 1 60 60 SER N N 15 109.83 0.20 . 1 . . . . 60 SER N . 15759 1 203 . 1 1 61 61 VAL H H 1 8.78 0.02 . 1 . . . . 61 VAL H . 15759 1 204 . 1 1 61 61 VAL CA C 13 60.67 0.20 . 1 . . . . 61 VAL CA . 15759 1 205 . 1 1 61 61 VAL CB C 13 34.85 0.20 . 1 . . . . 61 VAL CB . 15759 1 206 . 1 1 61 61 VAL N N 15 118.00 0.20 . 1 . . . . 61 VAL N . 15759 1 207 . 1 1 62 62 THR H H 1 8.33 0.02 . 1 . . . . 62 THR H . 15759 1 208 . 1 1 62 62 THR CA C 13 61.93 0.20 . 1 . . . . 62 THR CA . 15759 1 209 . 1 1 62 62 THR CB C 13 69.53 0.20 . 1 . . . . 62 THR CB . 15759 1 210 . 1 1 62 62 THR N N 15 123.31 0.20 . 1 . . . . 62 THR N . 15759 1 211 . 1 1 63 63 LEU H H 1 9.21 0.02 . 1 . . . . 63 LEU H . 15759 1 212 . 1 1 63 63 LEU CA C 13 53.46 0.20 . 1 . . . . 63 LEU CA . 15759 1 213 . 1 1 63 63 LEU CB C 13 41.06 0.20 . 1 . . . . 63 LEU CB . 15759 1 214 . 1 1 63 63 LEU N N 15 129.99 0.20 . 1 . . . . 63 LEU N . 15759 1 215 . 1 1 64 64 SER H H 1 8.14 0.02 . 1 . . . . 64 SER H . 15759 1 216 . 1 1 64 64 SER CA C 13 57.15 0.20 . 1 . . . . 64 SER CA . 15759 1 217 . 1 1 64 64 SER CB C 13 66.03 0.20 . 1 . . . . 64 SER CB . 15759 1 218 . 1 1 64 64 SER N N 15 117.11 0.20 . 1 . . . . 64 SER N . 15759 1 219 . 1 1 65 65 ASP H H 1 8.96 0.02 . 1 . . . . 65 ASP H . 15759 1 220 . 1 1 65 65 ASP CA C 13 55.44 0.20 . 1 . . . . 65 ASP CA . 15759 1 221 . 1 1 65 65 ASP CB C 13 39.43 0.20 . 1 . . . . 65 ASP CB . 15759 1 222 . 1 1 65 65 ASP N N 15 116.93 0.20 . 1 . . . . 65 ASP N . 15759 1 223 . 1 1 66 66 LEU H H 1 8.56 0.02 . 1 . . . . 66 LEU H . 15759 1 224 . 1 1 66 66 LEU CA C 13 53.40 0.20 . 1 . . . . 66 LEU CA . 15759 1 225 . 1 1 66 66 LEU CB C 13 40.72 0.20 . 1 . . . . 66 LEU CB . 15759 1 226 . 1 1 66 66 LEU N N 15 116.96 0.20 . 1 . . . . 66 LEU N . 15759 1 227 . 1 1 67 67 GLN H H 1 8.28 0.02 . 1 . . . . 67 GLN H . 15759 1 228 . 1 1 67 67 GLN CA C 13 52.96 0.20 . 1 . . . . 67 GLN CA . 15759 1 229 . 1 1 67 67 GLN CB C 13 30.43 0.20 . 1 . . . . 67 GLN CB . 15759 1 230 . 1 1 67 67 GLN N N 15 118.86 0.20 . 1 . . . . 67 GLN N . 15759 1 231 . 1 1 68 68 PRO CA C 13 63.27 0.20 . 1 . . . . 68 PRO CA . 15759 1 232 . 1 1 68 68 PRO CB C 13 33.22 0.20 . 1 . . . . 68 PRO CB . 15759 1 233 . 1 1 69 69 GLY H H 1 7.61 0.02 . 1 . . . . 69 GLY H . 15759 1 234 . 1 1 69 69 GLY CA C 13 46.78 0.20 . 1 . . . . 69 GLY CA . 15759 1 235 . 1 1 69 69 GLY N N 15 113.29 0.20 . 1 . . . . 69 GLY N . 15759 1 236 . 1 1 70 70 VAL H H 1 7.62 0.02 . 1 . . . . 70 VAL H . 15759 1 237 . 1 1 70 70 VAL CA C 13 61.63 0.20 . 1 . . . . 70 VAL CA . 15759 1 238 . 1 1 70 70 VAL CB C 13 34.96 0.20 . 1 . . . . 70 VAL CB . 15759 1 239 . 1 1 70 70 VAL N N 15 120.69 0.20 . 1 . . . . 70 VAL N . 15759 1 240 . 1 1 71 71 GLN H H 1 8.19 0.02 . 1 . . . . 71 GLN H . 15759 1 241 . 1 1 71 71 GLN CA C 13 56.22 0.20 . 1 . . . . 71 GLN CA . 15759 1 242 . 1 1 71 71 GLN CB C 13 30.24 0.20 . 1 . . . . 71 GLN CB . 15759 1 243 . 1 1 71 71 GLN N N 15 123.79 0.20 . 1 . . . . 71 GLN N . 15759 1 244 . 1 1 72 72 TYR H H 1 8.89 0.02 . 1 . . . . 72 TYR H . 15759 1 245 . 1 1 72 72 TYR CA C 13 58.95 0.20 . 1 . . . . 72 TYR CA . 15759 1 246 . 1 1 72 72 TYR CB C 13 40.62 0.20 . 1 . . . . 72 TYR CB . 15759 1 247 . 1 1 72 72 TYR N N 15 126.95 0.20 . 1 . . . . 72 TYR N . 15759 1 248 . 1 1 73 73 ASN H H 1 9.00 0.02 . 1 . . . . 73 ASN H . 15759 1 249 . 1 1 73 73 ASN CA C 13 52.64 0.20 . 1 . . . . 73 ASN CA . 15759 1 250 . 1 1 73 73 ASN CB C 13 40.31 0.20 . 1 . . . . 73 ASN CB . 15759 1 251 . 1 1 73 73 ASN N N 15 120.41 0.20 . 1 . . . . 73 ASN N . 15759 1 252 . 1 1 74 74 ILE H H 1 9.43 0.02 . 1 . . . . 74 ILE H . 15759 1 253 . 1 1 74 74 ILE CA C 13 61.18 0.20 . 1 . . . . 74 ILE CA . 15759 1 254 . 1 1 74 74 ILE CB C 13 40.32 0.20 . 1 . . . . 74 ILE CB . 15759 1 255 . 1 1 74 74 ILE N N 15 127.64 0.20 . 1 . . . . 74 ILE N . 15759 1 256 . 1 1 75 75 THR H H 1 9.51 0.02 . 1 . . . . 75 THR H . 15759 1 257 . 1 1 75 75 THR CA C 13 61.65 0.20 . 1 . . . . 75 THR CA . 15759 1 258 . 1 1 75 75 THR CB C 13 70.00 0.20 . 1 . . . . 75 THR CB . 15759 1 259 . 1 1 75 75 THR N N 15 124.27 0.20 . 1 . . . . 75 THR N . 15759 1 260 . 1 1 76 76 ILE H H 1 8.96 0.02 . 1 . . . . 76 ILE H . 15759 1 261 . 1 1 76 76 ILE CA C 13 60.54 0.20 . 1 . . . . 76 ILE CA . 15759 1 262 . 1 1 76 76 ILE CB C 13 40.99 0.20 . 1 . . . . 76 ILE CB . 15759 1 263 . 1 1 76 76 ILE N N 15 125.11 0.20 . 1 . . . . 76 ILE N . 15759 1 264 . 1 1 77 77 TYR H H 1 9.11 0.02 . 1 . . . . 77 TYR H . 15759 1 265 . 1 1 77 77 TYR CA C 13 56.25 0.20 . 1 . . . . 77 TYR CA . 15759 1 266 . 1 1 77 77 TYR CB C 13 40.76 0.20 . 1 . . . . 77 TYR CB . 15759 1 267 . 1 1 77 77 TYR N N 15 122.58 0.20 . 1 . . . . 77 TYR N . 15759 1 268 . 1 1 78 78 ALA H H 1 8.75 0.02 . 1 . . . . 78 ALA H . 15759 1 269 . 1 1 78 78 ALA CA C 13 51.48 0.20 . 1 . . . . 78 ALA CA . 15759 1 270 . 1 1 78 78 ALA CB C 13 21.03 0.20 . 1 . . . . 78 ALA CB . 15759 1 271 . 1 1 78 78 ALA N N 15 124.33 0.20 . 1 . . . . 78 ALA N . 15759 1 272 . 1 1 79 79 VAL H H 1 8.28 0.02 . 1 . . . . 79 VAL H . 15759 1 273 . 1 1 79 79 VAL CA C 13 60.99 0.20 . 1 . . . . 79 VAL CA . 15759 1 274 . 1 1 79 79 VAL CB C 13 34.47 0.20 . 1 . . . . 79 VAL CB . 15759 1 275 . 1 1 79 79 VAL N N 15 120.25 0.20 . 1 . . . . 79 VAL N . 15759 1 276 . 1 1 80 80 GLU H H 1 8.86 0.02 . 1 . . . . 80 GLU H . 15759 1 277 . 1 1 80 80 GLU CA C 13 55.37 0.20 . 1 . . . . 80 GLU CA . 15759 1 278 . 1 1 80 80 GLU CB C 13 30.82 0.20 . 1 . . . . 80 GLU CB . 15759 1 279 . 1 1 80 80 GLU N N 15 126.91 0.20 . 1 . . . . 80 GLU N . 15759 1 280 . 1 1 81 81 GLU H H 1 8.95 0.02 . 1 . . . . 81 GLU H . 15759 1 281 . 1 1 81 81 GLU CA C 13 59.26 0.20 . 1 . . . . 81 GLU CA . 15759 1 282 . 1 1 81 81 GLU CB C 13 27.36 0.20 . 1 . . . . 81 GLU CB . 15759 1 283 . 1 1 81 81 GLU N N 15 125.13 0.20 . 1 . . . . 81 GLU N . 15759 1 284 . 1 1 82 82 ASN H H 1 8.36 0.02 . 1 . . . . 82 ASN H . 15759 1 285 . 1 1 82 82 ASN CA C 13 53.73 0.20 . 1 . . . . 82 ASN CA . 15759 1 286 . 1 1 82 82 ASN CB C 13 38.67 0.20 . 1 . . . . 82 ASN CB . 15759 1 287 . 1 1 82 82 ASN N N 15 118.84 0.20 . 1 . . . . 82 ASN N . 15759 1 288 . 1 1 83 83 GLN H H 1 8.04 0.02 . 1 . . . . 83 GLN H . 15759 1 289 . 1 1 83 83 GLN CA C 13 55.18 0.20 . 1 . . . . 83 GLN CA . 15759 1 290 . 1 1 83 83 GLN CB C 13 31.91 0.20 . 1 . . . . 83 GLN CB . 15759 1 291 . 1 1 83 83 GLN N N 15 119.07 0.20 . 1 . . . . 83 GLN N . 15759 1 292 . 1 1 84 84 GLU H H 1 8.49 0.02 . 1 . . . . 84 GLU H . 15759 1 293 . 1 1 84 84 GLU CA C 13 54.83 0.20 . 1 . . . . 84 GLU CA . 15759 1 294 . 1 1 84 84 GLU CB C 13 33.33 0.20 . 1 . . . . 84 GLU CB . 15759 1 295 . 1 1 84 84 GLU N N 15 120.74 0.20 . 1 . . . . 84 GLU N . 15759 1 296 . 1 1 85 85 SER H H 1 8.92 0.02 . 1 . . . . 85 SER H . 15759 1 297 . 1 1 85 85 SER CA C 13 57.97 0.20 . 1 . . . . 85 SER CA . 15759 1 298 . 1 1 85 85 SER CB C 13 66.92 0.20 . 1 . . . . 85 SER CB . 15759 1 299 . 1 1 85 85 SER N N 15 115.82 0.20 . 1 . . . . 85 SER N . 15759 1 300 . 1 1 86 86 THR H H 1 8.49 0.02 . 1 . . . . 86 THR H . 15759 1 301 . 1 1 86 86 THR CA C 13 61.55 0.20 . 1 . . . . 86 THR CA . 15759 1 302 . 1 1 86 86 THR CB C 13 69.14 0.20 . 1 . . . . 86 THR CB . 15759 1 303 . 1 1 86 86 THR N N 15 114.56 0.20 . 1 . . . . 86 THR N . 15759 1 304 . 1 1 87 87 PRO CA C 13 62.58 0.20 . 1 . . . . 87 PRO CA . 15759 1 305 . 1 1 87 87 PRO CB C 13 32.18 0.20 . 1 . . . . 87 PRO CB . 15759 1 306 . 1 1 88 88 VAL H H 1 8.19 0.02 . 1 . . . . 88 VAL H . 15759 1 307 . 1 1 88 88 VAL CA C 13 62.58 0.20 . 1 . . . . 88 VAL CA . 15759 1 308 . 1 1 88 88 VAL CB C 13 32.22 0.20 . 1 . . . . 88 VAL CB . 15759 1 309 . 1 1 88 88 VAL N N 15 120.76 0.20 . 1 . . . . 88 VAL N . 15759 1 310 . 1 1 89 89 VAL H H 1 8.26 0.02 . 1 . . . . 89 VAL H . 15759 1 311 . 1 1 89 89 VAL CA C 13 61.39 0.20 . 1 . . . . 89 VAL CA . 15759 1 312 . 1 1 89 89 VAL CB C 13 33.78 0.20 . 1 . . . . 89 VAL CB . 15759 1 313 . 1 1 89 89 VAL N N 15 125.61 0.20 . 1 . . . . 89 VAL N . 15759 1 314 . 1 1 90 90 ILE H H 1 9.47 0.02 . 1 . . . . 90 ILE H . 15759 1 315 . 1 1 90 90 ILE CA C 13 59.74 0.20 . 1 . . . . 90 ILE CA . 15759 1 316 . 1 1 90 90 ILE CB C 13 41.90 0.20 . 1 . . . . 90 ILE CB . 15759 1 317 . 1 1 90 90 ILE N N 15 128.25 0.20 . 1 . . . . 90 ILE N . 15759 1 318 . 1 1 91 91 GLN H H 1 8.48 0.02 . 1 . . . . 91 GLN H . 15759 1 319 . 1 1 91 91 GLN CA C 13 54.38 0.20 . 1 . . . . 91 GLN CA . 15759 1 320 . 1 1 91 91 GLN CB C 13 31.51 0.20 . 1 . . . . 91 GLN CB . 15759 1 321 . 1 1 91 91 GLN N N 15 123.65 0.20 . 1 . . . . 91 GLN N . 15759 1 322 . 1 1 92 92 GLN H H 1 8.86 0.02 . 1 . . . . 92 GLN H . 15759 1 323 . 1 1 92 92 GLN CA C 13 54.80 0.20 . 1 . . . . 92 GLN CA . 15759 1 324 . 1 1 92 92 GLN CB C 13 32.15 0.20 . 1 . . . . 92 GLN CB . 15759 1 325 . 1 1 92 92 GLN N N 15 123.59 0.20 . 1 . . . . 92 GLN N . 15759 1 326 . 1 1 93 93 GLU H H 1 8.88 0.02 . 1 . . . . 93 GLU H . 15759 1 327 . 1 1 93 93 GLU CA C 13 54.74 0.20 . 1 . . . . 93 GLU CA . 15759 1 328 . 1 1 93 93 GLU CB C 13 31.00 0.20 . 1 . . . . 93 GLU CB . 15759 1 329 . 1 1 93 93 GLU N N 15 128.79 0.20 . 1 . . . . 93 GLU N . 15759 1 330 . 1 1 94 94 THR H H 1 8.67 0.02 . 1 . . . . 94 THR H . 15759 1 331 . 1 1 94 94 THR CA C 13 61.21 0.20 . 1 . . . . 94 THR CA . 15759 1 332 . 1 1 94 94 THR CB C 13 69.57 0.20 . 1 . . . . 94 THR CB . 15759 1 333 . 1 1 94 94 THR N N 15 115.90 0.20 . 1 . . . . 94 THR N . 15759 1 334 . 1 1 95 95 THR CA C 13 62.60 0.20 . 1 . . . . 95 THR CA . 15759 1 335 . 1 1 95 95 THR CB C 13 69.39 0.20 . 1 . . . . 95 THR CB . 15759 1 336 . 1 1 96 96 GLY H H 1 7.68 0.02 . 1 . . . . 96 GLY H . 15759 1 337 . 1 1 96 96 GLY CA C 13 46.35 0.20 . 1 . . . . 96 GLY CA . 15759 1 338 . 1 1 96 96 GLY N N 15 110.66 0.20 . 1 . . . . 96 GLY N . 15759 1 stop_ save_