data_15575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15575 _Entry.Title ; Solution Structure of the Tandem WW Domains of FBP21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-30 _Entry.Accession_date 2007-11-30 _Entry.Last_release_date 2007-11-30 _Entry.Original_release_date 2007-11-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Formin binding protein 21 WW domain binding protein 4 ; _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.ORCID _Entry_author.Entry_ID 1 Xiaojuan Huang . . . . 15575 2 Jiahai Zhang . . . . 15575 3 Jihui Wu . . . . 15575 4 Yunyu Shi . . . . 15575 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15575 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FBP21 . 15575 WBP4 . 15575 'WW domain' . 15575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 15575 '15N chemical shifts' 77 15575 '1H chemical shifts' 467 15575 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 3 . . 2010-05-26 2007-11-30 update BMRB 'update entity name' 15575 2 . . 2009-09-09 2007-11-30 update BMRB 'complete entry citation' 15575 1 . . 2007-11-30 2007-11-30 original author 'original release' 15575 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JXW 'BMRB Entry Tracking System' 15575 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15575 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19592703 _Citation.Full_citation . _Citation.Title ; Structure and Function of the Two Tandem WW Domains of the Pre-mRNA Splicing Factor FBP21 (Formin-binding Protein 21) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 37 _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 25375 _Citation.Page_last 25387 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaojuan Huang . . . . 15575 1 2 Monique Beullens . . . . 15575 1 3 Jiahai Zhang . . . . 15575 1 4 Yi Zhou . . . . 15575 1 5 Emilia Nicolaescu . . . . 15575 1 6 Bart Lesage . . . . 15575 1 7 Qi Hu . . . . 15575 1 8 Jihui Wu . . . . 15575 1 9 Mathieu Bollen . . . . 15575 1 10 Yunyu Shi . . . . 15575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15575 _Assembly.ID 1 _Assembly.Name 'FBP21 entity' _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 8691 _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 FBP21 1 $entity A . yes native no no . . . 15575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FBP21 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DPSKGRWVEGITSEGYHYYY DLISGASQWEKPEGFQGDLK KTAVKTVWVEGLSEDGFTYY YNTETGESRWEKPDDLEHHH HHH ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'WW Domian' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8691.426 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Associated with U2 snRNPs.' 15575 1 'Binds splicing factors SNRPB, SNRPC and SF1.' 15575 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 . ASP . 15575 1 2 . PRO . 15575 1 3 . SER . 15575 1 4 . LYS . 15575 1 5 . GLY . 15575 1 6 . ARG . 15575 1 7 . TRP . 15575 1 8 . VAL . 15575 1 9 . GLU . 15575 1 10 . GLY . 15575 1 11 . ILE . 15575 1 12 . THR . 15575 1 13 . SER . 15575 1 14 . GLU . 15575 1 15 . GLY . 15575 1 16 . TYR . 15575 1 17 . HIS . 15575 1 18 . TYR . 15575 1 19 . TYR . 15575 1 20 . TYR . 15575 1 21 . ASP . 15575 1 22 . LEU . 15575 1 23 . ILE . 15575 1 24 . SER . 15575 1 25 . GLY . 15575 1 26 . ALA . 15575 1 27 . SER . 15575 1 28 . GLN . 15575 1 29 . TRP . 15575 1 30 . GLU . 15575 1 31 . LYS . 15575 1 32 . PRO . 15575 1 33 . GLU . 15575 1 34 . GLY . 15575 1 35 . PHE . 15575 1 36 . GLN . 15575 1 37 . GLY . 15575 1 38 . ASP . 15575 1 39 . LEU . 15575 1 40 . LYS . 15575 1 41 . LYS . 15575 1 42 . THR . 15575 1 43 . ALA . 15575 1 44 . VAL . 15575 1 45 . LYS . 15575 1 46 . THR . 15575 1 47 . VAL . 15575 1 48 . TRP . 15575 1 49 . VAL . 15575 1 50 . GLU . 15575 1 51 . GLY . 15575 1 52 . LEU . 15575 1 53 . SER . 15575 1 54 . GLU . 15575 1 55 . ASP . 15575 1 56 . GLY . 15575 1 57 . PHE . 15575 1 58 . THR . 15575 1 59 . TYR . 15575 1 60 . TYR . 15575 1 61 . TYR . 15575 1 62 . ASN . 15575 1 63 . THR . 15575 1 64 . GLU . 15575 1 65 . THR . 15575 1 66 . GLY . 15575 1 67 . GLU . 15575 1 68 . SER . 15575 1 69 . ARG . 15575 1 70 . TRP . 15575 1 71 . GLU . 15575 1 72 . LYS . 15575 1 73 . PRO . 15575 1 74 . ASP . 15575 1 75 . ASP . 15575 1 76 . LEU . 15575 1 77 . GLU . 15575 1 78 . HIS . 15575 1 79 . HIS . 15575 1 80 . HIS . 15575 1 81 . HIS . 15575 1 82 . HIS . 15575 1 83 . HIS . 15575 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 . ASP 1 1 15575 1 . PRO 2 2 15575 1 . SER 3 3 15575 1 . LYS 4 4 15575 1 . GLY 5 5 15575 1 . ARG 6 6 15575 1 . TRP 7 7 15575 1 . VAL 8 8 15575 1 . GLU 9 9 15575 1 . GLY 10 10 15575 1 . ILE 11 11 15575 1 . THR 12 12 15575 1 . SER 13 13 15575 1 . GLU 14 14 15575 1 . GLY 15 15 15575 1 . TYR 16 16 15575 1 . HIS 17 17 15575 1 . TYR 18 18 15575 1 . TYR 19 19 15575 1 . TYR 20 20 15575 1 . ASP 21 21 15575 1 . LEU 22 22 15575 1 . ILE 23 23 15575 1 . SER 24 24 15575 1 . GLY 25 25 15575 1 . ALA 26 26 15575 1 . SER 27 27 15575 1 . GLN 28 28 15575 1 . TRP 29 29 15575 1 . GLU 30 30 15575 1 . LYS 31 31 15575 1 . PRO 32 32 15575 1 . GLU 33 33 15575 1 . GLY 34 34 15575 1 . PHE 35 35 15575 1 . GLN 36 36 15575 1 . GLY 37 37 15575 1 . ASP 38 38 15575 1 . LEU 39 39 15575 1 . LYS 40 40 15575 1 . LYS 41 41 15575 1 . THR 42 42 15575 1 . ALA 43 43 15575 1 . VAL 44 44 15575 1 . LYS 45 45 15575 1 . THR 46 46 15575 1 . VAL 47 47 15575 1 . TRP 48 48 15575 1 . VAL 49 49 15575 1 . GLU 50 50 15575 1 . GLY 51 51 15575 1 . LEU 52 52 15575 1 . SER 53 53 15575 1 . GLU 54 54 15575 1 . ASP 55 55 15575 1 . GLY 56 56 15575 1 . PHE 57 57 15575 1 . THR 58 58 15575 1 . TYR 59 59 15575 1 . TYR 60 60 15575 1 . TYR 61 61 15575 1 . ASN 62 62 15575 1 . THR 63 63 15575 1 . GLU 64 64 15575 1 . THR 65 65 15575 1 . GLY 66 66 15575 1 . GLU 67 67 15575 1 . SER 68 68 15575 1 . ARG 69 69 15575 1 . TRP 70 70 15575 1 . GLU 71 71 15575 1 . LYS 72 72 15575 1 . PRO 73 73 15575 1 . ASP 74 74 15575 1 . ASP 75 75 15575 1 . LEU 76 76 15575 1 . GLU 77 77 15575 1 . HIS 78 78 15575 1 . HIS 79 79 15575 1 . HIS 80 80 15575 1 . HIS 81 81 15575 1 . HIS 82 82 15575 1 . HIS 83 83 15575 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 15575 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'WBP4, FBP21' . 15575 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 15575 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET22b . . . 15575 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15575 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 15575 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15575 1 3 H2O . . . . . . . 90 . . % . . . . 15575 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15575 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 15575 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15575 2 3 H2O . . . . . . . 90 . . % . . . . 15575 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15575 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 15575 1 pressure 1 . atm 15575 1 temperature 293 . K 15575 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15575 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 15575 2 pressure 1 . atm 15575 2 temperature 298 . K 15575 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15575 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15575 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 15575 1 . 'data analysis' 15575 1 . 'peak picking' 15575 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 15575 _Software.ID 2 _Software.Type . _Software.Name CNSSOLVE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15575 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 15575 2 . 'structure solution' 15575 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15575 _Software.ID 3 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15575 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 15575 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15575 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15575 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 15575 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15575 _Software.ID 5 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15575 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 15575 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15575 _Software.ID 6 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15575 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 15575 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15575 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15575 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 15575 7 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15575 _Software.ID 8 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15575 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 15575 8 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 15575 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15575 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15575 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 15575 1 2 spectrometer_2 Bruker DMX . 600 . . . 15575 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 15575 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15575 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15575 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15575 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 1 14 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15575 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 15575 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water portons . . . . ppm 4.754 internal indirect 0.25144 . . . . . 15575 1 H 1 water protons . . . . ppm 4.754 internal direct 1 . . . . . 15575 1 N 15 water protons . . . . ppm 4.754 internal indirect 0.10133 . . . . . 15575 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 15575 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15575 1 2 '3D CBCA(CO)NH' . . . 15575 1 3 '3D C(CO)NH' . . . 15575 1 7 '2D 1H-1H NOESY' . . . 15575 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.Ambiguity_set_ID _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 HA H 1 4.343 0.009 . . . . . . . 2 PRO HA . 15575 1 2 . 1 1 2 2 PRO HB2 H 1 2.146 0.011 . . . . . . . 2 PRO HB2 . 15575 1 3 . 1 1 2 2 PRO HB3 H 1 1.880 0.012 . . . . . . . 2 PRO HB3 . 15575 1 4 . 1 1 2 2 PRO HD2 H 1 3.802 0.008 . . . . . . . 2 PRO HD2 . 15575 1 5 . 1 1 2 2 PRO HD3 H 1 3.737 0.009 . . . . . . . 2 PRO HD3 . 15575 1 6 . 1 1 2 2 PRO HG2 H 1 2.128 0.005 . . . . . . . 2 PRO HG2 . 15575 1 7 . 1 1 2 2 PRO HG3 H 1 1.874 0.008 . . . . . . . 2 PRO HG3 . 15575 1 8 . 1 1 2 2 PRO C C 13 177.468 0.007 . . . . . . . 2 PRO C . 15575 1 9 . 1 1 2 2 PRO CA C 13 63.465 0.168 . . . . . . . 2 PRO CA . 15575 1 10 . 1 1 2 2 PRO CB C 13 32.098 0.088 . . . . . . . 2 PRO CB . 15575 1 11 . 1 1 2 2 PRO CD C 13 50.962 0.000 . . . . . . . 2 PRO CD . 15575 1 12 . 1 1 2 2 PRO CG C 13 26.959 0.000 . . . . . . . 2 PRO CG . 15575 1 13 . 1 1 3 3 SER H H 1 8.438 0.009 . . . . . . . 3 SER H . 15575 1 14 . 1 1 3 3 SER HA H 1 4.264 0.007 . . . . . . . 3 SER HA . 15575 1 15 . 1 1 3 3 SER HB2 H 1 3.834 0.004 . . . . . . . 3 SER HB2 . 15575 1 16 . 1 1 3 3 SER HB3 H 1 3.789 0.006 . . . . . . . 3 SER HB3 . 15575 1 17 . 1 1 3 3 SER C C 13 175.012 0.000 . . . . . . . 3 SER C . 15575 1 18 . 1 1 3 3 SER CA C 13 59.603 0.083 . . . . . . . 3 SER CA . 15575 1 19 . 1 1 3 3 SER CB C 13 63.657 0.089 . . . . . . . 3 SER CB . 15575 1 20 . 1 1 3 3 SER N N 15 115.628 0.063 . . . . . . . 3 SER N . 15575 1 21 . 1 1 4 4 LYS H H 1 7.948 0.008 . . . . . . . 4 LYS H . 15575 1 22 . 1 1 4 4 LYS HA H 1 4.317 0.009 . . . . . . . 4 LYS HA . 15575 1 23 . 1 1 4 4 LYS HB2 H 1 1.869 0.014 . . . . . . . 4 LYS HB2 . 15575 1 24 . 1 1 4 4 LYS HB3 H 1 1.715 0.011 . . . . . . . 4 LYS HB3 . 15575 1 25 . 1 1 4 4 LYS HE2 H 1 2.881 0.011 . . . . . . . 4 LYS HE2 . 15575 1 26 . 1 1 4 4 LYS HE3 H 1 2.881 0.011 . . . . . . . 4 LYS HE3 . 15575 1 27 . 1 1 4 4 LYS HG2 H 1 1.567 0.009 . . . . . . . 4 LYS HG2 . 15575 1 28 . 1 1 4 4 LYS HG3 H 1 1.306 0.012 . . . . . . . 4 LYS HG3 . 15575 1 29 . 1 1 4 4 LYS C C 13 176.860 0.011 . . . . . . . 4 LYS C . 15575 1 30 . 1 1 4 4 LYS CA C 13 56.133 0.073 . . . . . . . 4 LYS CA . 15575 1 31 . 1 1 4 4 LYS CB C 13 32.937 0.032 . . . . . . . 4 LYS CB . 15575 1 32 . 1 1 4 4 LYS CD C 13 28.939 0.000 . . . . . . . 4 LYS CD . 15575 1 33 . 1 1 4 4 LYS CE C 13 42.264 0.000 . . . . . . . 4 LYS CE . 15575 1 34 . 1 1 4 4 LYS CG C 13 24.800 0.000 . . . . . . . 4 LYS CG . 15575 1 35 . 1 1 4 4 LYS N N 15 122.190 0.042 . . . . . . . 4 LYS N . 15575 1 36 . 1 1 5 5 GLY H H 1 8.017 0.011 . . . . . . . 5 GLY H . 15575 1 37 . 1 1 5 5 GLY HA2 H 1 3.808 0.008 . . . . . . . 5 GLY HA2 . 15575 1 38 . 1 1 5 5 GLY HA3 H 1 3.629 0.010 . . . . . . . 5 GLY HA3 . 15575 1 39 . 1 1 5 5 GLY C C 13 173.161 0.013 . . . . . . . 5 GLY C . 15575 1 40 . 1 1 5 5 GLY CA C 13 45.059 0.130 . . . . . . . 5 GLY CA . 15575 1 41 . 1 1 5 5 GLY N N 15 108.523 0.054 . . . . . . . 5 GLY N . 15575 1 42 . 1 1 6 6 ARG H H 1 8.157 0.009 . . . . . . . 6 ARG H . 15575 1 43 . 1 1 6 6 ARG HA H 1 4.328 0.010 . . . . . . . 6 ARG HA . 15575 1 44 . 1 1 6 6 ARG HB2 H 1 1.540 0.009 . . . . . . . 6 ARG HB2 . 15575 1 45 . 1 1 6 6 ARG HB3 H 1 1.540 0.009 . . . . . . . 6 ARG HB3 . 15575 1 46 . 1 1 6 6 ARG HD2 H 1 2.930 0.008 . . . . . . . 6 ARG HD2 . 15575 1 47 . 1 1 6 6 ARG HD3 H 1 2.930 0.008 . . . . . . . 6 ARG HD3 . 15575 1 48 . 1 1 6 6 ARG HE H 1 7.151 0.000 . . . . . . . 6 ARG HE . 15575 1 49 . 1 1 6 6 ARG HG2 H 1 1.245 0.010 . . . . . . . 6 ARG HG2 . 15575 1 50 . 1 1 6 6 ARG HG3 H 1 1.245 0.010 . . . . . . . 6 ARG HG3 . 15575 1 51 . 1 1 6 6 ARG C C 13 173.926 0.005 . . . . . . . 6 ARG C . 15575 1 52 . 1 1 6 6 ARG CA C 13 55.744 0.012 . . . . . . . 6 ARG CA . 15575 1 53 . 1 1 6 6 ARG CB C 13 31.118 0.118 . . . . . . . 6 ARG CB . 15575 1 54 . 1 1 6 6 ARG CD C 13 43.782 0.000 . . . . . . . 6 ARG CD . 15575 1 55 . 1 1 6 6 ARG N N 15 122.734 0.062 . . . . . . . 6 ARG N . 15575 1 56 . 1 1 7 7 TRP H H 1 7.956 0.009 . . . . . . . 7 TRP H . 15575 1 57 . 1 1 7 7 TRP HA H 1 5.181 0.005 . . . . . . . 7 TRP HA . 15575 1 58 . 1 1 7 7 TRP HB2 H 1 3.075 0.016 . . . . . . . 7 TRP HB2 . 15575 1 59 . 1 1 7 7 TRP HB3 H 1 2.866 0.005 . . . . . . . 7 TRP HB3 . 15575 1 60 . 1 1 7 7 TRP HD1 H 1 7.114 0.014 . . . . . . . 7 TRP HD1 . 15575 1 61 . 1 1 7 7 TRP HE1 H 1 10.023 0.004 . . . . . . . 7 TRP HE1 . 15575 1 62 . 1 1 7 7 TRP HE3 H 1 7.170 0.006 . . . . . . . 7 TRP HE3 . 15575 1 63 . 1 1 7 7 TRP HH2 H 1 6.852 0 . . . . . . . 7 TRP HH2 . 15575 1 64 . 1 1 7 7 TRP HZ2 H 1 7.237 0.007 . . . . . . . 7 TRP HZ2 . 15575 1 65 . 1 1 7 7 TRP HZ3 H 1 6.716 0.004 . . . . . . . 7 TRP HZ3 . 15575 1 66 . 1 1 7 7 TRP C C 13 176.937 0.022 . . . . . . . 7 TRP C . 15575 1 67 . 1 1 7 7 TRP CA C 13 56.525 0.018 . . . . . . . 7 TRP CA . 15575 1 68 . 1 1 7 7 TRP CB C 13 31.713 0.022 . . . . . . . 7 TRP CB . 15575 1 69 . 1 1 7 7 TRP N N 15 120.834 0.053 . . . . . . . 7 TRP N . 15575 1 70 . 1 1 7 7 TRP NE1 N 15 128.776 0.008 . . . . . . . 7 TRP NE1 . 15575 1 71 . 1 1 8 8 VAL H H 1 9.421 0.010 . . . . . . . 8 VAL H . 15575 1 72 . 1 1 8 8 VAL HA H 1 4.544 0.011 . . . . . . . 8 VAL HA . 15575 1 73 . 1 1 8 8 VAL HB H 1 1.695 0.018 . . . . . . . 8 VAL HB . 15575 1 74 . 1 1 8 8 VAL C C 13 174.045 0.000 . . . . . . . 8 VAL C . 15575 1 75 . 1 1 8 8 VAL CA C 13 60.224 0.143 . . . . . . . 8 VAL CA . 15575 1 76 . 1 1 8 8 VAL CB C 13 35.235 0.042 . . . . . . . 8 VAL CB . 15575 1 77 . 1 1 8 8 VAL CG1 C 13 21.694 0.000 . . . . . . . 8 VAL CG1 . 15575 1 78 . 1 1 8 8 VAL CG2 C 13 21.694 0.000 . . . . . . . 8 VAL CG2 . 15575 1 79 . 1 1 8 8 VAL N N 15 120.231 0.044 . . . . . . . 8 VAL N . 15575 1 80 . 1 1 9 9 GLU H H 1 8.573 0.007 . . . . . . . 9 GLU H . 15575 1 81 . 1 1 9 9 GLU HA H 1 4.513 0.010 . . . . . . . 9 GLU HA . 15575 1 82 . 1 1 9 9 GLU HB2 H 1 1.924 0.009 . . . . . . . 9 GLU HB2 . 15575 1 83 . 1 1 9 9 GLU HB3 H 1 1.846 0.014 . . . . . . . 9 GLU HB3 . 15575 1 84 . 1 1 9 9 GLU HG2 H 1 2.523 0.004 . . . . . . . 9 GLU HG2 . 15575 1 85 . 1 1 9 9 GLU HG3 H 1 2.523 0.004 . . . . . . . 9 GLU HG3 . 15575 1 86 . 1 1 9 9 GLU C C 13 175.789 0.007 . . . . . . . 9 GLU C . 15575 1 87 . 1 1 9 9 GLU CA C 13 54.704 0.178 . . . . . . . 9 GLU CA . 15575 1 88 . 1 1 9 9 GLU CB C 13 32.132 0.120 . . . . . . . 9 GLU CB . 15575 1 89 . 1 1 9 9 GLU CG C 13 36.447 0.000 . . . . . . . 9 GLU CG . 15575 1 90 . 1 1 9 9 GLU N N 15 124.063 0.087 . . . . . . . 9 GLU N . 15575 1 91 . 1 1 10 10 GLY H H 1 8.244 0.008 . . . . . . . 10 GLY H . 15575 1 92 . 1 1 10 10 GLY HA2 H 1 4.244 0.011 . . . . . . . 10 GLY HA2 . 15575 1 93 . 1 1 10 10 GLY HA3 H 1 2.677 0.008 . . . . . . . 10 GLY HA3 . 15575 1 94 . 1 1 10 10 GLY C C 13 178.711 0.000 . . . . . . . 10 GLY C . 15575 1 95 . 1 1 10 10 GLY CA C 13 43.265 0.180 . . . . . . . 10 GLY CA . 15575 1 96 . 1 1 10 10 GLY N N 15 114.123 0.053 . . . . . . . 10 GLY N . 15575 1 97 . 1 1 11 11 ILE H H 1 7.967 0.010 . . . . . . . 11 ILE H . 15575 1 98 . 1 1 11 11 ILE HA H 1 4.874 0.013 . . . . . . . 11 ILE HA . 15575 1 99 . 1 1 11 11 ILE HB H 1 1.362 0.010 . . . . . . . 11 ILE HB . 15575 1 100 . 1 1 11 11 ILE C C 13 177.132 0.013 . . . . . . . 11 ILE C . 15575 1 101 . 1 1 11 11 ILE CA C 13 59.522 0.055 . . . . . . . 11 ILE CA . 15575 1 102 . 1 1 11 11 ILE CB C 13 41.005 0.043 . . . . . . . 11 ILE CB . 15575 1 103 . 1 1 11 11 ILE CG2 C 13 16.847 0.000 . . . . . . . 11 ILE CG2 . 15575 1 104 . 1 1 11 11 ILE N N 15 117.451 0.098 . . . . . . . 11 ILE N . 15575 1 105 . 1 1 12 12 THR H H 1 9.333 0.012 . . . . . . . 12 THR H . 15575 1 106 . 1 1 12 12 THR HA H 1 4.810 0.007 . . . . . . . 12 THR HA . 15575 1 107 . 1 1 12 12 THR HB H 1 4.698 0.003 . . . . . . . 12 THR HB . 15575 1 108 . 1 1 12 12 THR CA C 13 60.868 0.000 . . . . . . . 12 THR CA . 15575 1 109 . 1 1 12 12 THR CB C 13 71.670 0.000 . . . . . . . 12 THR CB . 15575 1 110 . 1 1 12 12 THR N N 15 118.780 0.061 . . . . . . . 12 THR N . 15575 1 111 . 1 1 13 13 SER HA H 1 4.045 0.013 . . . . . . . 13 SER HA . 15575 1 112 . 1 1 13 13 SER HB2 H 1 3.831 0.014 . . . . . . . 13 SER HB2 . 15575 1 113 . 1 1 13 13 SER HB3 H 1 3.831 0.014 . . . . . . . 13 SER HB3 . 15575 1 114 . 1 1 13 13 SER C C 13 175.483 0.000 . . . . . . . 13 SER C . 15575 1 115 . 1 1 13 13 SER CB C 13 62.489 0.000 . . . . . . . 13 SER CB . 15575 1 116 . 1 1 14 14 GLU H H 1 7.685 0.013 . . . . . . . 14 GLU H . 15575 1 117 . 1 1 14 14 GLU HA H 1 4.149 0.002 . . . . . . . 14 GLU HA . 15575 1 118 . 1 1 14 14 GLU HB2 H 1 1.815 0.011 . . . . . . . 14 GLU HB2 . 15575 1 119 . 1 1 14 14 GLU HB3 H 1 1.377 0.009 . . . . . . . 14 GLU HB3 . 15575 1 120 . 1 1 14 14 GLU HG2 H 1 2.006 0.008 . . . . . . . 14 GLU HG2 . 15575 1 121 . 1 1 14 14 GLU HG3 H 1 2.006 0.008 . . . . . . . 14 GLU HG3 . 15575 1 122 . 1 1 14 14 GLU C C 13 176.176 0.019 . . . . . . . 14 GLU C . 15575 1 123 . 1 1 14 14 GLU CA C 13 56.719 0.090 . . . . . . . 14 GLU CA . 15575 1 124 . 1 1 14 14 GLU CB C 13 29.212 0.047 . . . . . . . 14 GLU CB . 15575 1 125 . 1 1 14 14 GLU CG C 13 36.449 0.000 . . . . . . . 14 GLU CG . 15575 1 126 . 1 1 14 14 GLU N N 15 116.879 0.056 . . . . . . . 14 GLU N . 15575 1 127 . 1 1 15 15 GLY H H 1 7.880 0.009 . . . . . . . 15 GLY H . 15575 1 128 . 1 1 15 15 GLY HA2 H 1 4.025 0.011 . . . . . . . 15 GLY HA2 . 15575 1 129 . 1 1 15 15 GLY HA3 H 1 3.333 0.009 . . . . . . . 15 GLY HA3 . 15575 1 130 . 1 1 15 15 GLY C C 13 174.178 0.005 . . . . . . . 15 GLY C . 15575 1 131 . 1 1 15 15 GLY CA C 13 44.873 0.190 . . . . . . . 15 GLY CA . 15575 1 132 . 1 1 15 15 GLY N N 15 106.481 0.055 . . . . . . . 15 GLY N . 15575 1 133 . 1 1 16 16 TYR H H 1 7.337 0.007 . . . . . . . 16 TYR H . 15575 1 134 . 1 1 16 16 TYR HA H 1 4.782 0.009 . . . . . . . 16 TYR HA . 15575 1 135 . 1 1 16 16 TYR HB2 H 1 3.129 0.015 . . . . . . . 16 TYR HB2 . 15575 1 136 . 1 1 16 16 TYR HB3 H 1 2.971 0.013 . . . . . . . 16 TYR HB3 . 15575 1 137 . 1 1 16 16 TYR HD1 H 1 6.886 0.004 . . . . . . . 16 TYR HD1 . 15575 1 138 . 1 1 16 16 TYR HD2 H 1 6.886 0.004 . . . . . . . 16 TYR HD2 . 15575 1 139 . 1 1 16 16 TYR HE1 H 1 6.579 0.006 . . . . . . . 16 TYR HE1 . 15575 1 140 . 1 1 16 16 TYR HE2 H 1 6.579 0.006 . . . . . . . 16 TYR HE2 . 15575 1 141 . 1 1 16 16 TYR C C 13 175.995 0.025 . . . . . . . 16 TYR C . 15575 1 142 . 1 1 16 16 TYR CA C 13 56.414 0.035 . . . . . . . 16 TYR CA . 15575 1 143 . 1 1 16 16 TYR CB C 13 38.407 0.147 . . . . . . . 16 TYR CB . 15575 1 144 . 1 1 16 16 TYR N N 15 119.711 0.051 . . . . . . . 16 TYR N . 15575 1 145 . 1 1 17 17 HIS H H 1 9.209 0.008 . . . . . . . 17 HIS H . 15575 1 146 . 1 1 17 17 HIS HA H 1 5.280 0.010 . . . . . . . 17 HIS HA . 15575 1 147 . 1 1 17 17 HIS HB2 H 1 3.156 0.005 . . . . . . . 17 HIS HB2 . 15575 1 148 . 1 1 17 17 HIS HB3 H 1 2.909 0.015 . . . . . . . 17 HIS HB3 . 15575 1 149 . 1 1 17 17 HIS HD2 H 1 7.245 0.004 . . . . . . . 17 HIS HD2 . 15575 1 150 . 1 1 17 17 HIS HE1 H 1 8.204 0.003 . . . . . . . 17 HIS HE1 . 15575 1 151 . 1 1 17 17 HIS C C 13 173.919 0.027 . . . . . . . 17 HIS C . 15575 1 152 . 1 1 17 17 HIS CA C 13 55.909 0.012 . . . . . . . 17 HIS CA . 15575 1 153 . 1 1 17 17 HIS CB C 13 29.968 0.088 . . . . . . . 17 HIS CB . 15575 1 154 . 1 1 17 17 HIS N N 15 123.461 0.088 . . . . . . . 17 HIS N . 15575 1 155 . 1 1 18 18 TYR H H 1 8.275 0.008 . . . . . . . 18 TYR H . 15575 1 156 . 1 1 18 18 TYR HA H 1 4.791 0.004 . . . . . . . 18 TYR HA . 15575 1 157 . 1 1 18 18 TYR HB2 H 1 2.582 0.006 . . . . . . . 18 TYR HB2 . 15575 1 158 . 1 1 18 18 TYR HB3 H 1 2.374 0.004 . . . . . . . 18 TYR HB3 . 15575 1 159 . 1 1 18 18 TYR HD1 H 1 6.684 0.010 . . . . . . . 18 TYR HD1 . 15575 1 160 . 1 1 18 18 TYR HD2 H 1 6.684 0.010 . . . . . . . 18 TYR HD2 . 15575 1 161 . 1 1 18 18 TYR HE1 H 1 6.338 0.007 . . . . . . . 18 TYR HE1 . 15575 1 162 . 1 1 18 18 TYR HE2 H 1 6.338 0.007 . . . . . . . 18 TYR HE2 . 15575 1 163 . 1 1 18 18 TYR C C 13 171.293 0.000 . . . . . . . 18 TYR C . 15575 1 164 . 1 1 18 18 TYR CA C 13 55.630 0.005 . . . . . . . 18 TYR CA . 15575 1 165 . 1 1 18 18 TYR CB C 13 40.498 0.009 . . . . . . . 18 TYR CB . 15575 1 166 . 1 1 18 18 TYR N N 15 119.382 0.042 . . . . . . . 18 TYR N . 15575 1 167 . 1 1 19 19 TYR H H 1 8.717 0.011 . . . . . . . 19 TYR H . 15575 1 168 . 1 1 19 19 TYR HA H 1 5.108 0.012 . . . . . . . 19 TYR HA . 15575 1 169 . 1 1 19 19 TYR HB2 H 1 2.570 0.005 . . . . . . . 19 TYR HB2 . 15575 1 170 . 1 1 19 19 TYR HB3 H 1 2.365 0.011 . . . . . . . 19 TYR HB3 . 15575 1 171 . 1 1 19 19 TYR HD1 H 1 6.371 0.008 . . . . . . . 19 TYR HD1 . 15575 1 172 . 1 1 19 19 TYR HD2 H 1 6.371 0.008 . . . . . . . 19 TYR HD2 . 15575 1 173 . 1 1 19 19 TYR HE1 H 1 6.270 0.005 . . . . . . . 19 TYR HE1 . 15575 1 174 . 1 1 19 19 TYR HE2 H 1 6.270 0.005 . . . . . . . 19 TYR HE2 . 15575 1 175 . 1 1 19 19 TYR C C 13 174.324 0.000 . . . . . . . 19 TYR C . 15575 1 176 . 1 1 19 19 TYR CA C 13 56.672 0.000 . . . . . . . 19 TYR CA . 15575 1 177 . 1 1 19 19 TYR CB C 13 41.349 0.026 . . . . . . . 19 TYR CB . 15575 1 178 . 1 1 19 19 TYR N N 15 117.669 0.038 . . . . . . . 19 TYR N . 15575 1 179 . 1 1 20 20 TYR H H 1 9.333 0.008 . . . . . . . 20 TYR H . 15575 1 180 . 1 1 20 20 TYR HA H 1 5.461 0.013 . . . . . . . 20 TYR HA . 15575 1 181 . 1 1 20 20 TYR HB2 H 1 2.736 0.014 . . . . . . . 20 TYR HB2 . 15575 1 182 . 1 1 20 20 TYR HB3 H 1 2.736 0.014 . . . . . . . 20 TYR HB3 . 15575 1 183 . 1 1 20 20 TYR HD1 H 1 6.644 0.009 . . . . . . . 20 TYR HD1 . 15575 1 184 . 1 1 20 20 TYR HD2 H 1 6.644 0.009 . . . . . . . 20 TYR HD2 . 15575 1 185 . 1 1 20 20 TYR HE1 H 1 6.452 0.003 . . . . . . . 20 TYR HE1 . 15575 1 186 . 1 1 20 20 TYR HE2 H 1 6.452 0.003 . . . . . . . 20 TYR HE2 . 15575 1 187 . 1 1 20 20 TYR C C 13 172.648 0.000 . . . . . . . 20 TYR C . 15575 1 188 . 1 1 20 20 TYR CA C 13 56.265 0.257 . . . . . . . 20 TYR CA . 15575 1 189 . 1 1 20 20 TYR CB C 13 41.675 0.044 . . . . . . . 20 TYR CB . 15575 1 190 . 1 1 20 20 TYR N N 15 123.121 0.090 . . . . . . . 20 TYR N . 15575 1 191 . 1 1 21 21 ASP H H 1 8.060 0.008 . . . . . . . 21 ASP H . 15575 1 192 . 1 1 21 21 ASP HA H 1 3.963 0.010 . . . . . . . 21 ASP HA . 15575 1 193 . 1 1 21 21 ASP HB2 H 1 1.955 0.006 . . . . . . . 21 ASP HB2 . 15575 1 194 . 1 1 21 21 ASP HB3 H 1 1.955 0.006 . . . . . . . 21 ASP HB3 . 15575 1 195 . 1 1 21 21 ASP C C 13 176.726 0.000 . . . . . . . 21 ASP C . 15575 1 196 . 1 1 21 21 ASP CB C 13 40.660 0.066 . . . . . . . 21 ASP CB . 15575 1 197 . 1 1 21 21 ASP N N 15 124.947 0.070 . . . . . . . 21 ASP N . 15575 1 198 . 1 1 22 22 LEU H H 1 8.701 0.009 . . . . . . . 22 LEU H . 15575 1 199 . 1 1 22 22 LEU HA H 1 3.803 0.012 . . . . . . . 22 LEU HA . 15575 1 200 . 1 1 22 22 LEU HB2 H 1 1.525 0.002 . . . . . . . 22 LEU HB2 . 15575 1 201 . 1 1 22 22 LEU HB3 H 1 1.344 0.006 . . . . . . . 22 LEU HB3 . 15575 1 202 . 1 1 22 22 LEU HD11 H 1 0.785 0.009 . . . . . . . 22 LEU HD1 . 15575 1 203 . 1 1 22 22 LEU HD12 H 1 0.785 0.009 . . . . . . . 22 LEU HD1 . 15575 1 204 . 1 1 22 22 LEU HD13 H 1 0.785 0.009 . . . . . . . 22 LEU HD1 . 15575 1 205 . 1 1 22 22 LEU HD21 H 1 0.679 0.007 . . . . . . . 22 LEU HD2 . 15575 1 206 . 1 1 22 22 LEU HD22 H 1 0.679 0.007 . . . . . . . 22 LEU HD2 . 15575 1 207 . 1 1 22 22 LEU HD23 H 1 0.679 0.007 . . . . . . . 22 LEU HD2 . 15575 1 208 . 1 1 22 22 LEU HG H 1 1.662 0.005 . . . . . . . 22 LEU HG . 15575 1 209 . 1 1 22 22 LEU C C 13 171.131 0.000 . . . . . . . 22 LEU C . 15575 1 210 . 1 1 22 22 LEU CA C 13 56.936 0.030 . . . . . . . 22 LEU CA . 15575 1 211 . 1 1 22 22 LEU CB C 13 42.973 0.111 . . . . . . . 22 LEU CB . 15575 1 212 . 1 1 22 22 LEU CD1 C 13 23.169 0.000 . . . . . . . 22 LEU CD1 . 15575 1 213 . 1 1 22 22 LEU CD2 C 13 23.169 0.000 . . . . . . . 22 LEU CD2 . 15575 1 214 . 1 1 22 22 LEU CG C 13 25.262 0.000 . . . . . . . 22 LEU CG . 15575 1 215 . 1 1 22 22 LEU N N 15 125.621 0.038 . . . . . . . 22 LEU N . 15575 1 216 . 1 1 23 23 ILE H H 1 7.954 0.011 . . . . . . . 23 ILE H . 15575 1 217 . 1 1 23 23 ILE HA H 1 3.770 0.008 . . . . . . . 23 ILE HA . 15575 1 218 . 1 1 23 23 ILE HB H 1 1.938 0.007 . . . . . . . 23 ILE HB . 15575 1 219 . 1 1 23 23 ILE HD11 H 1 0.558 0.010 . . . . . . . 23 ILE HD1 . 15575 1 220 . 1 1 23 23 ILE HD12 H 1 0.558 0.010 . . . . . . . 23 ILE HD1 . 15575 1 221 . 1 1 23 23 ILE HD13 H 1 0.558 0.010 . . . . . . . 23 ILE HD1 . 15575 1 222 . 1 1 23 23 ILE HG12 H 1 1.007 0.005 . . . . . . . 23 ILE HG12 . 15575 1 223 . 1 1 23 23 ILE HG13 H 1 1.007 0.005 . . . . . . . 23 ILE HG13 . 15575 1 224 . 1 1 23 23 ILE HG21 H 1 0.656 0.004 . . . . . . . 23 ILE HG2 . 15575 1 225 . 1 1 23 23 ILE HG22 H 1 0.656 0.004 . . . . . . . 23 ILE HG2 . 15575 1 226 . 1 1 23 23 ILE HG23 H 1 0.656 0.004 . . . . . . . 23 ILE HG2 . 15575 1 227 . 1 1 23 23 ILE C C 13 177.384 0.011 . . . . . . . 23 ILE C . 15575 1 228 . 1 1 23 23 ILE CA C 13 62.782 0.003 . . . . . . . 23 ILE CA . 15575 1 229 . 1 1 23 23 ILE CB C 13 36.355 0.079 . . . . . . . 23 ILE CB . 15575 1 230 . 1 1 23 23 ILE N N 15 117.225 0.091 . . . . . . . 23 ILE N . 15575 1 231 . 1 1 24 24 SER H H 1 7.304 0.016 . . . . . . . 24 SER H . 15575 1 232 . 1 1 24 24 SER HA H 1 4.211 0.002 . . . . . . . 24 SER HA . 15575 1 233 . 1 1 24 24 SER HB2 H 1 3.829 0.018 . . . . . . . 24 SER HB2 . 15575 1 234 . 1 1 24 24 SER HB3 H 1 3.620 0.013 . . . . . . . 24 SER HB3 . 15575 1 235 . 1 1 24 24 SER C C 13 176.179 0.000 . . . . . . . 24 SER C . 15575 1 236 . 1 1 24 24 SER CA C 13 59.194 0.138 . . . . . . . 24 SER CA . 15575 1 237 . 1 1 24 24 SER CB C 13 65.204 0.068 . . . . . . . 24 SER CB . 15575 1 238 . 1 1 24 24 SER N N 15 112.672 0.072 . . . . . . . 24 SER N . 15575 1 239 . 1 1 25 25 GLY H H 1 8.115 0.009 . . . . . . . 25 GLY H . 15575 1 240 . 1 1 25 25 GLY HA2 H 1 3.994 0.009 . . . . . . . 25 GLY HA2 . 15575 1 241 . 1 1 25 25 GLY HA3 H 1 3.572 0.010 . . . . . . . 25 GLY HA3 . 15575 1 242 . 1 1 25 25 GLY C C 13 173.419 0.022 . . . . . . . 25 GLY C . 15575 1 243 . 1 1 25 25 GLY CA C 13 45.454 0.191 . . . . . . . 25 GLY CA . 15575 1 244 . 1 1 25 25 GLY N N 15 112.660 0.058 . . . . . . . 25 GLY N . 15575 1 245 . 1 1 26 26 ALA H H 1 7.493 0.009 . . . . . . . 26 ALA H . 15575 1 246 . 1 1 26 26 ALA HA H 1 4.208 0.011 . . . . . . . 26 ALA HA . 15575 1 247 . 1 1 26 26 ALA HB1 H 1 1.288 0.013 . . . . . . . 26 ALA HB . 15575 1 248 . 1 1 26 26 ALA HB2 H 1 1.288 0.013 . . . . . . . 26 ALA HB . 15575 1 249 . 1 1 26 26 ALA HB3 H 1 1.288 0.013 . . . . . . . 26 ALA HB . 15575 1 250 . 1 1 26 26 ALA C C 13 175.562 0.003 . . . . . . . 26 ALA C . 15575 1 251 . 1 1 26 26 ALA CA C 13 52.174 0.114 . . . . . . . 26 ALA CA . 15575 1 252 . 1 1 26 26 ALA CB C 13 20.084 0.094 . . . . . . . 26 ALA CB . 15575 1 253 . 1 1 26 26 ALA N N 15 123.147 0.032 . . . . . . . 26 ALA N . 15575 1 254 . 1 1 27 27 SER H H 1 8.092 0.015 . . . . . . . 27 SER H . 15575 1 255 . 1 1 27 27 SER HA H 1 5.696 0.007 . . . . . . . 27 SER HA . 15575 1 256 . 1 1 27 27 SER HB2 H 1 3.580 0.004 . . . . . . . 27 SER HB2 . 15575 1 257 . 1 1 27 27 SER HB3 H 1 3.580 0.004 . . . . . . . 27 SER HB3 . 15575 1 258 . 1 1 27 27 SER N N 15 111.999 0.091 . . . . . . . 27 SER N . 15575 1 259 . 1 1 28 28 GLN H H 1 9.273 0.007 . . . . . . . 28 GLN H . 15575 1 260 . 1 1 28 28 GLN HA H 1 4.777 0.004 . . . . . . . 28 GLN HA . 15575 1 261 . 1 1 28 28 GLN HB2 H 1 2.320 0.013 . . . . . . . 28 GLN HB2 . 15575 1 262 . 1 1 28 28 GLN HB3 H 1 2.066 0.006 . . . . . . . 28 GLN HB3 . 15575 1 263 . 1 1 28 28 GLN HE22 H 1 6.463 0.002 . . . . . . . 28 GLN HE22 . 15575 1 264 . 1 1 28 28 GLN C C 13 174.516 0.000 . . . . . . . 28 GLN C . 15575 1 265 . 1 1 28 28 GLN CA C 13 54.538 0.060 . . . . . . . 28 GLN CA . 15575 1 266 . 1 1 28 28 GLN CB C 13 32.431 0.000 . . . . . . . 28 GLN CB . 15575 1 267 . 1 1 28 28 GLN CG C 13 31.805 0.000 . . . . . . . 28 GLN CG . 15575 1 268 . 1 1 28 28 GLN N N 15 117.111 0.056 . . . . . . . 28 GLN N . 15575 1 269 . 1 1 28 28 GLN NE2 N 15 112.213 0.063 . . . . . . . 28 GLN NE2 . 15575 1 270 . 1 1 29 29 TRP H H 1 8.460 0.007 . . . . . . . 29 TRP H . 15575 1 271 . 1 1 29 29 TRP HA H 1 4.930 0.007 . . . . . . . 29 TRP HA . 15575 1 272 . 1 1 29 29 TRP HB2 H 1 3.484 0.015 . . . . . . . 29 TRP HB2 . 15575 1 273 . 1 1 29 29 TRP HB3 H 1 3.042 0.009 . . . . . . . 29 TRP HB3 . 15575 1 274 . 1 1 29 29 TRP HD1 H 1 7.232 0.003 . . . . . . . 29 TRP HD1 . 15575 1 275 . 1 1 29 29 TRP HE3 H 1 7.968 0.004 . . . . . . . 29 TRP HE3 . 15575 1 276 . 1 1 29 29 TRP HH2 H 1 6.863 0 . . . . . . . 29 TRP HH2 . 15575 1 277 . 1 1 29 29 TRP HZ2 H 1 6.938 0.000 . . . . . . . 29 TRP HZ2 . 15575 1 278 . 1 1 29 29 TRP HZ3 H 1 6.773 0.002 . . . . . . . 29 TRP HZ3 . 15575 1 279 . 1 1 29 29 TRP C C 13 176.784 0.000 . . . . . . . 29 TRP C . 15575 1 280 . 1 1 29 29 TRP CA C 13 58.035 0.110 . . . . . . . 29 TRP CA . 15575 1 281 . 1 1 29 29 TRP CB C 13 30.609 0.026 . . . . . . . 29 TRP CB . 15575 1 282 . 1 1 29 29 TRP N N 15 120.208 0.107 . . . . . . . 29 TRP N . 15575 1 283 . 1 1 30 30 GLU H H 1 7.938 0.010 . . . . . . . 30 GLU H . 15575 1 284 . 1 1 30 30 GLU HA H 1 4.200 0.004 . . . . . . . 30 GLU HA . 15575 1 285 . 1 1 30 30 GLU HB2 H 1 1.739 0.003 . . . . . . . 30 GLU HB2 . 15575 1 286 . 1 1 30 30 GLU HB3 H 1 1.739 0.003 . . . . . . . 30 GLU HB3 . 15575 1 287 . 1 1 30 30 GLU HG2 H 1 2.102 0.016 . . . . . . . 30 GLU HG2 . 15575 1 288 . 1 1 30 30 GLU HG3 H 1 2.102 0.016 . . . . . . . 30 GLU HG3 . 15575 1 289 . 1 1 30 30 GLU C C 13 175.499 0.027 . . . . . . . 30 GLU C . 15575 1 290 . 1 1 30 30 GLU CA C 13 55.896 0.107 . . . . . . . 30 GLU CA . 15575 1 291 . 1 1 30 30 GLU CB C 13 30.371 0.043 . . . . . . . 30 GLU CB . 15575 1 292 . 1 1 30 30 GLU CG C 13 36.256 0.000 . . . . . . . 30 GLU CG . 15575 1 293 . 1 1 30 30 GLU N N 15 117.673 0.099 . . . . . . . 30 GLU N . 15575 1 294 . 1 1 31 31 LYS H H 1 8.278 0.010 . . . . . . . 31 LYS H . 15575 1 295 . 1 1 31 31 LYS HA H 1 4.233 0.003 . . . . . . . 31 LYS HA . 15575 1 296 . 1 1 31 31 LYS HB2 H 1 1.738 0.002 . . . . . . . 31 LYS HB2 . 15575 1 297 . 1 1 31 31 LYS HB3 H 1 1.738 0.002 . . . . . . . 31 LYS HB3 . 15575 1 298 . 1 1 31 31 LYS HD2 H 1 1.511 0.007 . . . . . . . 31 LYS HD2 . 15575 1 299 . 1 1 31 31 LYS HD3 H 1 1.511 0.007 . . . . . . . 31 LYS HD3 . 15575 1 300 . 1 1 31 31 LYS HE2 H 1 2.816 0.010 . . . . . . . 31 LYS HE2 . 15575 1 301 . 1 1 31 31 LYS HE3 H 1 2.816 0.010 . . . . . . . 31 LYS HE3 . 15575 1 302 . 1 1 31 31 LYS HG2 H 1 1.244 0.007 . . . . . . . 31 LYS HG2 . 15575 1 303 . 1 1 31 31 LYS HG3 H 1 1.244 0.007 . . . . . . . 31 LYS HG3 . 15575 1 304 . 1 1 31 31 LYS C C 13 174.702 0.000 . . . . . . . 31 LYS C . 15575 1 305 . 1 1 31 31 LYS N N 15 125.450 0.039 . . . . . . . 31 LYS N . 15575 1 306 . 1 1 32 32 PRO HA H 1 3.789 0.012 . . . . . . . 32 PRO HA . 15575 1 307 . 1 1 32 32 PRO HB2 H 1 0.952 0.010 . . . . . . . 32 PRO HB2 . 15575 1 308 . 1 1 32 32 PRO HB3 H 1 0.952 0.010 . . . . . . . 32 PRO HB3 . 15575 1 309 . 1 1 32 32 PRO HD2 H 1 2.579 0.002 . . . . . . . 32 PRO HD2 . 15575 1 310 . 1 1 32 32 PRO HD3 H 1 2.579 0.002 . . . . . . . 32 PRO HD3 . 15575 1 311 . 1 1 32 32 PRO HG2 H 1 0.379 0.011 . . . . . . . 32 PRO HG2 . 15575 1 312 . 1 1 32 32 PRO HG3 H 1 0.060 0.015 . . . . . . . 32 PRO HG3 . 15575 1 313 . 1 1 32 32 PRO C C 13 176.597 0.003 . . . . . . . 32 PRO C . 15575 1 314 . 1 1 32 32 PRO CA C 13 61.692 0.026 . . . . . . . 32 PRO CA . 15575 1 315 . 1 1 32 32 PRO CB C 13 31.207 0.094 . . . . . . . 32 PRO CB . 15575 1 316 . 1 1 32 32 PRO CD C 13 50.777 0.000 . . . . . . . 32 PRO CD . 15575 1 317 . 1 1 32 32 PRO CG C 13 25.665 0.000 . . . . . . . 32 PRO CG . 15575 1 318 . 1 1 33 33 GLU H H 1 8.392 0.009 . . . . . . . 33 GLU H . 15575 1 319 . 1 1 33 33 GLU HA H 1 3.849 0.015 . . . . . . . 33 GLU HA . 15575 1 320 . 1 1 33 33 GLU HB2 H 1 1.795 0.015 . . . . . . . 33 GLU HB2 . 15575 1 321 . 1 1 33 33 GLU HB3 H 1 1.795 0.015 . . . . . . . 33 GLU HB3 . 15575 1 322 . 1 1 33 33 GLU HG2 H 1 2.132 0.004 . . . . . . . 33 GLU HG2 . 15575 1 323 . 1 1 33 33 GLU HG3 H 1 1.968 0.003 . . . . . . . 33 GLU HG3 . 15575 1 324 . 1 1 33 33 GLU C C 13 177.743 0.016 . . . . . . . 33 GLU C . 15575 1 325 . 1 1 33 33 GLU CA C 13 57.720 0.065 . . . . . . . 33 GLU CA . 15575 1 326 . 1 1 33 33 GLU CB C 13 29.366 0.052 . . . . . . . 33 GLU CB . 15575 1 327 . 1 1 33 33 GLU CG C 13 35.965 0.000 . . . . . . . 33 GLU CG . 15575 1 328 . 1 1 33 33 GLU N N 15 123.256 0.053 . . . . . . . 33 GLU N . 15575 1 329 . 1 1 34 34 GLY H H 1 8.645 0.010 . . . . . . . 34 GLY H . 15575 1 330 . 1 1 34 34 GLY HA2 H 1 3.929 0.011 . . . . . . . 34 GLY HA2 . 15575 1 331 . 1 1 34 34 GLY HA3 H 1 3.698 0.010 . . . . . . . 34 GLY HA3 . 15575 1 332 . 1 1 34 34 GLY C C 13 174.323 0.000 . . . . . . . 34 GLY C . 15575 1 333 . 1 1 34 34 GLY CA C 13 45.251 0.135 . . . . . . . 34 GLY CA . 15575 1 334 . 1 1 34 34 GLY N N 15 111.388 0.044 . . . . . . . 34 GLY N . 15575 1 335 . 1 1 35 35 PHE H H 1 7.495 0.009 . . . . . . . 35 PHE H . 15575 1 336 . 1 1 35 35 PHE HA H 1 4.224 0.019 . . . . . . . 35 PHE HA . 15575 1 337 . 1 1 35 35 PHE HB2 H 1 2.680 0.009 . . . . . . . 35 PHE HB2 . 15575 1 338 . 1 1 35 35 PHE HB3 H 1 2.611 0.011 . . . . . . . 35 PHE HB3 . 15575 1 339 . 1 1 35 35 PHE HD1 H 1 6.999 0.004 . . . . . . . 35 PHE HD1 . 15575 1 340 . 1 1 35 35 PHE HD2 H 1 6.999 0.004 . . . . . . . 35 PHE HD2 . 15575 1 341 . 1 1 35 35 PHE HE1 H 1 7.355 0.007 . . . . . . . 35 PHE HE1 . 15575 1 342 . 1 1 35 35 PHE HE2 H 1 7.355 0.007 . . . . . . . 35 PHE HE2 . 15575 1 343 . 1 1 35 35 PHE HZ H 1 7.402 0.003 . . . . . . . 35 PHE HZ . 15575 1 344 . 1 1 35 35 PHE C C 13 175.434 0.043 . . . . . . . 35 PHE C . 15575 1 345 . 1 1 35 35 PHE CA C 13 58.918 0.045 . . . . . . . 35 PHE CA . 15575 1 346 . 1 1 35 35 PHE CB C 13 39.949 0.006 . . . . . . . 35 PHE CB . 15575 1 347 . 1 1 35 35 PHE N N 15 120.628 0.033 . . . . . . . 35 PHE N . 15575 1 348 . 1 1 36 36 GLN H H 1 8.258 0.008 . . . . . . . 36 GLN H . 15575 1 349 . 1 1 36 36 GLN HA H 1 4.103 0.011 . . . . . . . 36 GLN HA . 15575 1 350 . 1 1 36 36 GLN HB2 H 1 1.927 0.013 . . . . . . . 36 GLN HB2 . 15575 1 351 . 1 1 36 36 GLN HB3 H 1 1.705 0.014 . . . . . . . 36 GLN HB3 . 15575 1 352 . 1 1 36 36 GLN HE21 H 1 7.378 0.001 . . . . . . . 36 GLN HE21 . 15575 1 353 . 1 1 36 36 GLN HE22 H 1 6.779 0.000 . . . . . . . 36 GLN HE22 . 15575 1 354 . 1 1 36 36 GLN HG2 H 1 2.106 0.022 . . . . . . . 36 GLN HG2 . 15575 1 355 . 1 1 36 36 GLN HG3 H 1 2.106 0.022 . . . . . . . 36 GLN HG3 . 15575 1 356 . 1 1 36 36 GLN C C 13 175.463 0.000 . . . . . . . 36 GLN C . 15575 1 357 . 1 1 36 36 GLN CA C 13 55.327 0.016 . . . . . . . 36 GLN CA . 15575 1 358 . 1 1 36 36 GLN CB C 13 29.674 0.116 . . . . . . . 36 GLN CB . 15575 1 359 . 1 1 36 36 GLN CG C 13 33.445 0.027 . . . . . . . 36 GLN CG . 15575 1 360 . 1 1 36 36 GLN N N 15 125.765 0.092 . . . . . . . 36 GLN N . 15575 1 361 . 1 1 36 36 GLN NE2 N 15 112.069 0.059 . . . . . . . 36 GLN NE2 . 15575 1 362 . 1 1 37 37 GLY H H 1 7.281 0.009 . . . . . . . 37 GLY H . 15575 1 363 . 1 1 37 37 GLY HA2 H 1 3.744 0.007 . . . . . . . 37 GLY HA2 . 15575 1 364 . 1 1 37 37 GLY HA3 H 1 3.744 0.007 . . . . . . . 37 GLY HA3 . 15575 1 365 . 1 1 37 37 GLY C C 13 173.450 0.034 . . . . . . . 37 GLY C . 15575 1 366 . 1 1 37 37 GLY CA C 13 45.444 0.148 . . . . . . . 37 GLY CA . 15575 1 367 . 1 1 37 37 GLY N N 15 108.676 0.043 . . . . . . . 37 GLY N . 15575 1 368 . 1 1 38 38 ASP H H 1 8.281 0.011 . . . . . . . 38 ASP H . 15575 1 369 . 1 1 38 38 ASP HA H 1 4.516 0.015 . . . . . . . 38 ASP HA . 15575 1 370 . 1 1 38 38 ASP HB2 H 1 2.603 0.009 . . . . . . . 38 ASP HB2 . 15575 1 371 . 1 1 38 38 ASP HB3 H 1 2.527 0.008 . . . . . . . 38 ASP HB3 . 15575 1 372 . 1 1 38 38 ASP C C 13 176.388 0.016 . . . . . . . 38 ASP C . 15575 1 373 . 1 1 38 38 ASP CA C 13 54.110 0.037 . . . . . . . 38 ASP CA . 15575 1 374 . 1 1 38 38 ASP CB C 13 41.399 0.154 . . . . . . . 38 ASP CB . 15575 1 375 . 1 1 38 38 ASP N N 15 120.087 0.044 . . . . . . . 38 ASP N . 15575 1 376 . 1 1 39 39 LEU H H 1 8.172 0.009 . . . . . . . 39 LEU H . 15575 1 377 . 1 1 39 39 LEU HA H 1 4.217 0.012 . . . . . . . 39 LEU HA . 15575 1 378 . 1 1 39 39 LEU HB2 H 1 1.513 0.009 . . . . . . . 39 LEU HB2 . 15575 1 379 . 1 1 39 39 LEU HB3 H 1 1.513 0.009 . . . . . . . 39 LEU HB3 . 15575 1 380 . 1 1 39 39 LEU HD11 H 1 0.726 0.015 . . . . . . . 39 LEU HD1 . 15575 1 381 . 1 1 39 39 LEU HD12 H 1 0.726 0.015 . . . . . . . 39 LEU HD1 . 15575 1 382 . 1 1 39 39 LEU HD13 H 1 0.726 0.015 . . . . . . . 39 LEU HD1 . 15575 1 383 . 1 1 39 39 LEU HD21 H 1 0.726 0.015 . . . . . . . 39 LEU HD2 . 15575 1 384 . 1 1 39 39 LEU HD22 H 1 0.726 0.015 . . . . . . . 39 LEU HD2 . 15575 1 385 . 1 1 39 39 LEU HD23 H 1 0.726 0.015 . . . . . . . 39 LEU HD2 . 15575 1 386 . 1 1 39 39 LEU HG H 1 1.251 0.001 . . . . . . . 39 LEU HG . 15575 1 387 . 1 1 39 39 LEU C C 13 177.567 0.032 . . . . . . . 39 LEU C . 15575 1 388 . 1 1 39 39 LEU CA C 13 55.394 0.012 . . . . . . . 39 LEU CA . 15575 1 389 . 1 1 39 39 LEU CB C 13 42.160 0.087 . . . . . . . 39 LEU CB . 15575 1 390 . 1 1 39 39 LEU CD1 C 13 24.474 0.000 . . . . . . . 39 LEU CD1 . 15575 1 391 . 1 1 39 39 LEU CD2 C 13 24.474 0.000 . . . . . . . 39 LEU CD2 . 15575 1 392 . 1 1 39 39 LEU CG C 13 26.901 0.000 . . . . . . . 39 LEU CG . 15575 1 393 . 1 1 39 39 LEU N N 15 122.975 0.071 . . . . . . . 39 LEU N . 15575 1 394 . 1 1 40 40 LYS H H 1 8.320 0.009 . . . . . . . 40 LYS H . 15575 1 395 . 1 1 40 40 LYS HA H 1 4.210 0.004 . . . . . . . 40 LYS HA . 15575 1 396 . 1 1 40 40 LYS HB2 H 1 1.703 0.004 . . . . . . . 40 LYS HB2 . 15575 1 397 . 1 1 40 40 LYS HB3 H 1 1.703 0.004 . . . . . . . 40 LYS HB3 . 15575 1 398 . 1 1 40 40 LYS HD2 H 1 1.542 0.007 . . . . . . . 40 LYS HD2 . 15575 1 399 . 1 1 40 40 LYS HD3 H 1 1.542 0.007 . . . . . . . 40 LYS HD3 . 15575 1 400 . 1 1 40 40 LYS HE2 H 1 2.870 0.007 . . . . . . . 40 LYS HE2 . 15575 1 401 . 1 1 40 40 LYS HE3 H 1 2.870 0.007 . . . . . . . 40 LYS HE3 . 15575 1 402 . 1 1 40 40 LYS HG2 H 1 1.318 0.010 . . . . . . . 40 LYS HG2 . 15575 1 403 . 1 1 40 40 LYS HG3 H 1 1.318 0.010 . . . . . . . 40 LYS HG3 . 15575 1 404 . 1 1 40 40 LYS C C 13 176.647 0.009 . . . . . . . 40 LYS C . 15575 1 405 . 1 1 40 40 LYS CA C 13 56.222 0.079 . . . . . . . 40 LYS CA . 15575 1 406 . 1 1 40 40 LYS CB C 13 32.798 0.025 . . . . . . . 40 LYS CB . 15575 1 407 . 1 1 40 40 LYS CD C 13 28.854 0.000 . . . . . . . 40 LYS CD . 15575 1 408 . 1 1 40 40 LYS CE C 13 42.206 0.000 . . . . . . . 40 LYS CE . 15575 1 409 . 1 1 40 40 LYS CG C 13 24.824 0.000 . . . . . . . 40 LYS CG . 15575 1 410 . 1 1 40 40 LYS N N 15 121.775 0.049 . . . . . . . 40 LYS N . 15575 1 411 . 1 1 41 41 LYS H H 1 8.231 0.011 . . . . . . . 41 LYS H . 15575 1 412 . 1 1 41 41 LYS HA H 1 4.278 0.008 . . . . . . . 41 LYS HA . 15575 1 413 . 1 1 41 41 LYS HB2 H 1 1.678 0.002 . . . . . . . 41 LYS HB2 . 15575 1 414 . 1 1 41 41 LYS HB3 H 1 1.678 0.002 . . . . . . . 41 LYS HB3 . 15575 1 415 . 1 1 41 41 LYS HD2 H 1 1.556 0.001 . . . . . . . 41 LYS HD2 . 15575 1 416 . 1 1 41 41 LYS HD3 H 1 1.556 0.001 . . . . . . . 41 LYS HD3 . 15575 1 417 . 1 1 41 41 LYS HE2 H 1 2.880 0.011 . . . . . . . 41 LYS HE2 . 15575 1 418 . 1 1 41 41 LYS HE3 H 1 2.880 0.011 . . . . . . . 41 LYS HE3 . 15575 1 419 . 1 1 41 41 LYS HG2 H 1 1.317 0.007 . . . . . . . 41 LYS HG2 . 15575 1 420 . 1 1 41 41 LYS HG3 H 1 1.317 0.007 . . . . . . . 41 LYS HG3 . 15575 1 421 . 1 1 41 41 LYS C C 13 176.726 0.016 . . . . . . . 41 LYS C . 15575 1 422 . 1 1 41 41 LYS CA C 13 56.390 0.105 . . . . . . . 41 LYS CA . 15575 1 423 . 1 1 41 41 LYS CB C 13 33.021 0.013 . . . . . . . 41 LYS CB . 15575 1 424 . 1 1 41 41 LYS CD C 13 29.074 0.000 . . . . . . . 41 LYS CD . 15575 1 425 . 1 1 41 41 LYS CE C 13 42.270 0.000 . . . . . . . 41 LYS CE . 15575 1 426 . 1 1 41 41 LYS CG C 13 24.794 0.000 . . . . . . . 41 LYS CG . 15575 1 427 . 1 1 41 41 LYS N N 15 122.410 0.048 . . . . . . . 41 LYS N . 15575 1 428 . 1 1 42 42 THR H H 1 8.073 0.010 . . . . . . . 42 THR H . 15575 1 429 . 1 1 42 42 THR HA H 1 4.211 0.013 . . . . . . . 42 THR HA . 15575 1 430 . 1 1 42 42 THR HB H 1 4.082 0.012 . . . . . . . 42 THR HB . 15575 1 431 . 1 1 42 42 THR HG21 H 1 1.093 0.013 . . . . . . . 42 THR HG2 . 15575 1 432 . 1 1 42 42 THR HG22 H 1 1.093 0.013 . . . . . . . 42 THR HG2 . 15575 1 433 . 1 1 42 42 THR HG23 H 1 1.093 0.013 . . . . . . . 42 THR HG2 . 15575 1 434 . 1 1 42 42 THR C C 13 174.073 0.044 . . . . . . . 42 THR C . 15575 1 435 . 1 1 42 42 THR CA C 13 61.628 0.060 . . . . . . . 42 THR CA . 15575 1 436 . 1 1 42 42 THR CB C 13 69.823 0.011 . . . . . . . 42 THR CB . 15575 1 437 . 1 1 42 42 THR CG2 C 13 21.458 0.000 . . . . . . . 42 THR CG2 . 15575 1 438 . 1 1 42 42 THR N N 15 115.558 0.053 . . . . . . . 42 THR N . 15575 1 439 . 1 1 43 43 ALA H H 1 8.275 0.010 . . . . . . . 43 ALA H . 15575 1 440 . 1 1 43 43 ALA HA H 1 4.258 0.011 . . . . . . . 43 ALA HA . 15575 1 441 . 1 1 43 43 ALA HB1 H 1 1.251 0.013 . . . . . . . 43 ALA HB . 15575 1 442 . 1 1 43 43 ALA HB2 H 1 1.251 0.013 . . . . . . . 43 ALA HB . 15575 1 443 . 1 1 43 43 ALA HB3 H 1 1.251 0.013 . . . . . . . 43 ALA HB . 15575 1 444 . 1 1 43 43 ALA C C 13 177.414 0.010 . . . . . . . 43 ALA C . 15575 1 445 . 1 1 43 43 ALA CA C 13 52.227 0.039 . . . . . . . 43 ALA CA . 15575 1 446 . 1 1 43 43 ALA CB C 13 19.471 0.060 . . . . . . . 43 ALA CB . 15575 1 447 . 1 1 43 43 ALA N N 15 126.858 0.038 . . . . . . . 43 ALA N . 15575 1 448 . 1 1 44 44 VAL H H 1 8.046 0.011 . . . . . . . 44 VAL H . 15575 1 449 . 1 1 44 44 VAL HA H 1 3.971 0.013 . . . . . . . 44 VAL HA . 15575 1 450 . 1 1 44 44 VAL HB H 1 1.903 0.014 . . . . . . . 44 VAL HB . 15575 1 451 . 1 1 44 44 VAL HG11 H 1 0.853 0.004 . . . . . . . 44 VAL HG1 . 15575 1 452 . 1 1 44 44 VAL HG12 H 1 0.853 0.004 . . . . . . . 44 VAL HG1 . 15575 1 453 . 1 1 44 44 VAL HG13 H 1 0.853 0.004 . . . . . . . 44 VAL HG1 . 15575 1 454 . 1 1 44 44 VAL HG21 H 1 0.771 0.004 . . . . . . . 44 VAL HG2 . 15575 1 455 . 1 1 44 44 VAL HG22 H 1 0.771 0.004 . . . . . . . 44 VAL HG2 . 15575 1 456 . 1 1 44 44 VAL HG23 H 1 0.771 0.004 . . . . . . . 44 VAL HG2 . 15575 1 457 . 1 1 44 44 VAL C C 13 175.966 0.005 . . . . . . . 44 VAL C . 15575 1 458 . 1 1 44 44 VAL CA C 13 62.075 0.048 . . . . . . . 44 VAL CA . 15575 1 459 . 1 1 44 44 VAL CB C 13 32.770 0.044 . . . . . . . 44 VAL CB . 15575 1 460 . 1 1 44 44 VAL CG1 C 13 20.768 0.000 . . . . . . . 44 VAL CG1 . 15575 1 461 . 1 1 44 44 VAL CG2 C 13 20.768 0.000 . . . . . . . 44 VAL CG2 . 15575 1 462 . 1 1 44 44 VAL N N 15 119.894 0.047 . . . . . . . 44 VAL N . 15575 1 463 . 1 1 45 45 LYS H H 1 8.373 0.010 . . . . . . . 45 LYS H . 15575 1 464 . 1 1 45 45 LYS HA H 1 4.296 0.010 . . . . . . . 45 LYS HA . 15575 1 465 . 1 1 45 45 LYS HB2 H 1 1.670 0.010 . . . . . . . 45 LYS HB2 . 15575 1 466 . 1 1 45 45 LYS HB3 H 1 1.670 0.010 . . . . . . . 45 LYS HB3 . 15575 1 467 . 1 1 45 45 LYS HD2 H 1 1.526 0.006 . . . . . . . 45 LYS HD2 . 15575 1 468 . 1 1 45 45 LYS HD3 H 1 1.526 0.006 . . . . . . . 45 LYS HD3 . 15575 1 469 . 1 1 45 45 LYS HE2 H 1 2.839 0.013 . . . . . . . 45 LYS HE2 . 15575 1 470 . 1 1 45 45 LYS HE3 H 1 2.839 0.013 . . . . . . . 45 LYS HE3 . 15575 1 471 . 1 1 45 45 LYS HG2 H 1 1.268 0.011 . . . . . . . 45 LYS HG2 . 15575 1 472 . 1 1 45 45 LYS HG3 H 1 1.268 0.011 . . . . . . . 45 LYS HG3 . 15575 1 473 . 1 1 45 45 LYS C C 13 176.157 0.032 . . . . . . . 45 LYS C . 15575 1 474 . 1 1 45 45 LYS CA C 13 56.150 0.039 . . . . . . . 45 LYS CA . 15575 1 475 . 1 1 45 45 LYS CB C 13 33.187 0.057 . . . . . . . 45 LYS CB . 15575 1 476 . 1 1 45 45 LYS CD C 13 28.956 0.000 . . . . . . . 45 LYS CD . 15575 1 477 . 1 1 45 45 LYS CE C 13 42.182 0.000 . . . . . . . 45 LYS CE . 15575 1 478 . 1 1 45 45 LYS CG C 13 24.580 0.000 . . . . . . . 45 LYS CG . 15575 1 479 . 1 1 45 45 LYS N N 15 125.685 0.032 . . . . . . . 45 LYS N . 15575 1 480 . 1 1 46 46 THR H H 1 8.173 0.009 . . . . . . . 46 THR H . 15575 1 481 . 1 1 46 46 THR HA H 1 4.391 0.014 . . . . . . . 46 THR HA . 15575 1 482 . 1 1 46 46 THR HB H 1 4.122 0.013 . . . . . . . 46 THR HB . 15575 1 483 . 1 1 46 46 THR HG21 H 1 1.102 0.011 . . . . . . . 46 THR HG2 . 15575 1 484 . 1 1 46 46 THR HG22 H 1 1.102 0.011 . . . . . . . 46 THR HG2 . 15575 1 485 . 1 1 46 46 THR HG23 H 1 1.102 0.011 . . . . . . . 46 THR HG2 . 15575 1 486 . 1 1 46 46 THR C C 13 174.073 0.022 . . . . . . . 46 THR C . 15575 1 487 . 1 1 46 46 THR CA C 13 61.219 0.040 . . . . . . . 46 THR CA . 15575 1 488 . 1 1 46 46 THR CB C 13 69.524 0.080 . . . . . . . 46 THR CB . 15575 1 489 . 1 1 46 46 THR CG2 C 13 21.155 0.000 . . . . . . . 46 THR CG2 . 15575 1 490 . 1 1 46 46 THR N N 15 117.846 0.058 . . . . . . . 46 THR N . 15575 1 491 . 1 1 47 47 VAL H H 1 8.174 0.009 . . . . . . . 47 VAL H . 15575 1 492 . 1 1 47 47 VAL HA H 1 3.943 0.010 . . . . . . . 47 VAL HA . 15575 1 493 . 1 1 47 47 VAL HB H 1 1.915 0.014 . . . . . . . 47 VAL HB . 15575 1 494 . 1 1 47 47 VAL HG21 H 1 0.562 0.014 . . . . . . . 47 VAL HG2 . 15575 1 495 . 1 1 47 47 VAL HG22 H 1 0.562 0.014 . . . . . . . 47 VAL HG2 . 15575 1 496 . 1 1 47 47 VAL HG23 H 1 0.562 0.014 . . . . . . . 47 VAL HG2 . 15575 1 497 . 1 1 47 47 VAL C C 13 175.250 0.006 . . . . . . . 47 VAL C . 15575 1 498 . 1 1 47 47 VAL CA C 13 63.151 0.037 . . . . . . . 47 VAL CA . 15575 1 499 . 1 1 47 47 VAL CB C 13 32.401 0.033 . . . . . . . 47 VAL CB . 15575 1 500 . 1 1 47 47 VAL CG1 C 13 21.611 0.000 . . . . . . . 47 VAL CG1 . 15575 1 501 . 1 1 47 47 VAL CG2 C 13 21.611 0.000 . . . . . . . 47 VAL CG2 . 15575 1 502 . 1 1 47 47 VAL N N 15 121.602 0.039 . . . . . . . 47 VAL N . 15575 1 503 . 1 1 48 48 TRP H H 1 8.021 0.007 . . . . . . . 48 TRP H . 15575 1 504 . 1 1 48 48 TRP HA H 1 5.145 0.010 . . . . . . . 48 TRP HA . 15575 1 505 . 1 1 48 48 TRP HB2 H 1 3.009 0.010 . . . . . . . 48 TRP HB2 . 15575 1 506 . 1 1 48 48 TRP HB3 H 1 2.827 0.015 . . . . . . . 48 TRP HB3 . 15575 1 507 . 1 1 48 48 TRP HD1 H 1 7.161 0.009 . . . . . . . 48 TRP HD1 . 15575 1 508 . 1 1 48 48 TRP HE1 H 1 10.312 0.003 . . . . . . . 48 TRP HE1 . 15575 1 509 . 1 1 48 48 TRP HE3 H 1 7.181 0.005 . . . . . . . 48 TRP HE3 . 15575 1 510 . 1 1 48 48 TRP HH2 H 1 6.852 0 . . . . . . . 48 TRP HH2 . 15575 1 511 . 1 1 48 48 TRP HZ2 H 1 7.374 0.004 . . . . . . . 48 TRP HZ2 . 15575 1 512 . 1 1 48 48 TRP HZ3 H 1 6.808 0.007 . . . . . . . 48 TRP HZ3 . 15575 1 513 . 1 1 48 48 TRP C C 13 176.486 0.012 . . . . . . . 48 TRP C . 15575 1 514 . 1 1 48 48 TRP CA C 13 56.272 0.030 . . . . . . . 48 TRP CA . 15575 1 515 . 1 1 48 48 TRP CB C 13 30.904 0.062 . . . . . . . 48 TRP CB . 15575 1 516 . 1 1 48 48 TRP N N 15 121.701 0.040 . . . . . . . 48 TRP N . 15575 1 517 . 1 1 48 48 TRP NE1 N 15 130.323 0.007 . . . . . . . 48 TRP NE1 . 15575 1 518 . 1 1 49 49 VAL H H 1 9.456 0.012 . . . . . . . 49 VAL H . 15575 1 519 . 1 1 49 49 VAL HA H 1 4.384 0.009 . . . . . . . 49 VAL HA . 15575 1 520 . 1 1 49 49 VAL HB H 1 1.825 0.011 . . . . . . . 49 VAL HB . 15575 1 521 . 1 1 49 49 VAL HG21 H 1 0.773 0.011 . . . . . . . 49 VAL HG2 . 15575 1 522 . 1 1 49 49 VAL HG22 H 1 0.773 0.011 . . . . . . . 49 VAL HG2 . 15575 1 523 . 1 1 49 49 VAL HG23 H 1 0.773 0.011 . . . . . . . 49 VAL HG2 . 15575 1 524 . 1 1 49 49 VAL C C 13 174.834 0.014 . . . . . . . 49 VAL C . 15575 1 525 . 1 1 49 49 VAL CA C 13 60.412 0.009 . . . . . . . 49 VAL CA . 15575 1 526 . 1 1 49 49 VAL CB C 13 34.812 0.122 . . . . . . . 49 VAL CB . 15575 1 527 . 1 1 49 49 VAL CG1 C 13 21.021 0.000 . . . . . . . 49 VAL CG1 . 15575 1 528 . 1 1 49 49 VAL CG2 C 13 21.021 0.000 . . . . . . . 49 VAL CG2 . 15575 1 529 . 1 1 49 49 VAL N N 15 121.721 0.064 . . . . . . . 49 VAL N . 15575 1 530 . 1 1 50 50 GLU H H 1 8.485 0.011 . . . . . . . 50 GLU H . 15575 1 531 . 1 1 50 50 GLU HA H 1 4.346 0.011 . . . . . . . 50 GLU HA . 15575 1 532 . 1 1 50 50 GLU HB2 H 1 1.771 0.013 . . . . . . . 50 GLU HB2 . 15575 1 533 . 1 1 50 50 GLU HB3 H 1 1.771 0.013 . . . . . . . 50 GLU HB3 . 15575 1 534 . 1 1 50 50 GLU HG2 H 1 1.882 0.009 . . . . . . . 50 GLU HG2 . 15575 1 535 . 1 1 50 50 GLU HG3 H 1 1.882 0.009 . . . . . . . 50 GLU HG3 . 15575 1 536 . 1 1 50 50 GLU C C 13 175.998 0.026 . . . . . . . 50 GLU C . 15575 1 537 . 1 1 50 50 GLU CA C 13 55.683 0.029 . . . . . . . 50 GLU CA . 15575 1 538 . 1 1 50 50 GLU CB C 13 31.355 0.072 . . . . . . . 50 GLU CB . 15575 1 539 . 1 1 50 50 GLU CG C 13 36.715 0.061 . . . . . . . 50 GLU CG . 15575 1 540 . 1 1 50 50 GLU N N 15 125.369 0.058 . . . . . . . 50 GLU N . 15575 1 541 . 1 1 51 51 GLY H H 1 8.364 0.009 . . . . . . . 51 GLY H . 15575 1 542 . 1 1 51 51 GLY HA2 H 1 4.159 0.014 . . . . . . . 51 GLY HA2 . 15575 1 543 . 1 1 51 51 GLY HA3 H 1 2.717 0.018 . . . . . . . 51 GLY HA3 . 15575 1 544 . 1 1 51 51 GLY C C 13 171.099 0.027 . . . . . . . 51 GLY C . 15575 1 545 . 1 1 51 51 GLY CA C 13 43.469 0.080 . . . . . . . 51 GLY CA . 15575 1 546 . 1 1 51 51 GLY N N 15 113.725 0.064 . . . . . . . 51 GLY N . 15575 1 547 . 1 1 52 52 LEU H H 1 8.011 0.010 . . . . . . . 52 LEU H . 15575 1 548 . 1 1 52 52 LEU HA H 1 4.960 0.009 . . . . . . . 52 LEU HA . 15575 1 549 . 1 1 52 52 LEU HB2 H 1 1.469 0.012 . . . . . . . 52 LEU HB2 . 15575 1 550 . 1 1 52 52 LEU HB3 H 1 1.296 0.011 . . . . . . . 52 LEU HB3 . 15575 1 551 . 1 1 52 52 LEU HD11 H 1 0.669 0.013 . . . . . . . 52 LEU HD1 . 15575 1 552 . 1 1 52 52 LEU HD12 H 1 0.669 0.013 . . . . . . . 52 LEU HD1 . 15575 1 553 . 1 1 52 52 LEU HD13 H 1 0.669 0.013 . . . . . . . 52 LEU HD1 . 15575 1 554 . 1 1 52 52 LEU HG H 1 1.452 0.009 . . . . . . . 52 LEU HG . 15575 1 555 . 1 1 52 52 LEU C C 13 177.534 0.021 . . . . . . . 52 LEU C . 15575 1 556 . 1 1 52 52 LEU CA C 13 53.434 0.027 . . . . . . . 52 LEU CA . 15575 1 557 . 1 1 52 52 LEU CB C 13 45.083 0.078 . . . . . . . 52 LEU CB . 15575 1 558 . 1 1 52 52 LEU CD1 C 13 24.435 0.000 . . . . . . . 52 LEU CD1 . 15575 1 559 . 1 1 52 52 LEU CD2 C 13 24.435 0.000 . . . . . . . 52 LEU CD2 . 15575 1 560 . 1 1 52 52 LEU N N 15 120.606 0.058 . . . . . . . 52 LEU N . 15575 1 561 . 1 1 53 53 SER H H 1 9.715 0.014 . . . . . . . 53 SER H . 15575 1 562 . 1 1 53 53 SER HA H 1 4.651 0.014 . . . . . . . 53 SER HA . 15575 1 563 . 1 1 53 53 SER HB2 H 1 4.479 0.016 . . . . . . . 53 SER HB2 . 15575 1 564 . 1 1 53 53 SER HB3 H 1 4.087 0.012 . . . . . . . 53 SER HB3 . 15575 1 565 . 1 1 53 53 SER C C 13 176.385 0.000 . . . . . . . 53 SER C . 15575 1 566 . 1 1 53 53 SER CA C 13 57.645 0.131 . . . . . . . 53 SER CA . 15575 1 567 . 1 1 53 53 SER CB C 13 65.448 0.078 . . . . . . . 53 SER CB . 15575 1 568 . 1 1 53 53 SER N N 15 122.674 0.057 . . . . . . . 53 SER N . 15575 1 569 . 1 1 54 54 GLU H H 1 9.404 0.011 . . . . . . . 54 GLU H . 15575 1 570 . 1 1 54 54 GLU HA H 1 4.035 0.014 . . . . . . . 54 GLU HA . 15575 1 571 . 1 1 54 54 GLU HB2 H 1 1.991 0.010 . . . . . . . 54 GLU HB2 . 15575 1 572 . 1 1 54 54 GLU HB3 H 1 1.991 0.010 . . . . . . . 54 GLU HB3 . 15575 1 573 . 1 1 54 54 GLU HG2 H 1 2.255 0.013 . . . . . . . 54 GLU HG2 . 15575 1 574 . 1 1 54 54 GLU HG3 H 1 2.255 0.013 . . . . . . . 54 GLU HG3 . 15575 1 575 . 1 1 54 54 GLU C C 13 176.825 0.017 . . . . . . . 54 GLU C . 15575 1 576 . 1 1 54 54 GLU CA C 13 59.190 0.049 . . . . . . . 54 GLU CA . 15575 1 577 . 1 1 54 54 GLU CB C 13 29.360 0.043 . . . . . . . 54 GLU CB . 15575 1 578 . 1 1 54 54 GLU CG C 13 36.187 0.011 . . . . . . . 54 GLU CG . 15575 1 579 . 1 1 54 54 GLU N N 15 122.889 0.067 . . . . . . . 54 GLU N . 15575 1 580 . 1 1 55 55 ASP H H 1 8.123 0.011 . . . . . . . 55 ASP H . 15575 1 581 . 1 1 55 55 ASP HA H 1 4.527 0.013 . . . . . . . 55 ASP HA . 15575 1 582 . 1 1 55 55 ASP HB2 H 1 2.619 0.011 . . . . . . . 55 ASP HB2 . 15575 1 583 . 1 1 55 55 ASP HB3 H 1 2.554 0.013 . . . . . . . 55 ASP HB3 . 15575 1 584 . 1 1 55 55 ASP C C 13 175.663 0.041 . . . . . . . 55 ASP C . 15575 1 585 . 1 1 55 55 ASP CA C 13 53.220 0.038 . . . . . . . 55 ASP CA . 15575 1 586 . 1 1 55 55 ASP CB C 13 40.119 0.061 . . . . . . . 55 ASP CB . 15575 1 587 . 1 1 55 55 ASP N N 15 114.263 0.059 . . . . . . . 55 ASP N . 15575 1 588 . 1 1 56 56 GLY H H 1 7.912 0.008 . . . . . . . 56 GLY H . 15575 1 589 . 1 1 56 56 GLY HA2 H 1 3.870 0.018 . . . . . . . 56 GLY HA2 . 15575 1 590 . 1 1 56 56 GLY HA3 H 1 3.416 0.011 . . . . . . . 56 GLY HA3 . 15575 1 591 . 1 1 56 56 GLY C C 13 173.984 0.032 . . . . . . . 56 GLY C . 15575 1 592 . 1 1 56 56 GLY CA C 13 45.829 0.078 . . . . . . . 56 GLY CA . 15575 1 593 . 1 1 56 56 GLY N N 15 106.826 0.062 . . . . . . . 56 GLY N . 15575 1 594 . 1 1 57 57 PHE H H 1 7.939 0.008 . . . . . . . 57 PHE H . 15575 1 595 . 1 1 57 57 PHE HA H 1 4.838 0.005 . . . . . . . 57 PHE HA . 15575 1 596 . 1 1 57 57 PHE HB2 H 1 3.213 0.008 . . . . . . . 57 PHE HB2 . 15575 1 597 . 1 1 57 57 PHE HB3 H 1 3.013 0.010 . . . . . . . 57 PHE HB3 . 15575 1 598 . 1 1 57 57 PHE HD1 H 1 7.054 0.019 . . . . . . . 57 PHE HD1 . 15575 1 599 . 1 1 57 57 PHE HD2 H 1 7.054 0.019 . . . . . . . 57 PHE HD2 . 15575 1 600 . 1 1 57 57 PHE HE1 H 1 7.148 0.007 . . . . . . . 57 PHE HE1 . 15575 1 601 . 1 1 57 57 PHE HE2 H 1 7.148 0.007 . . . . . . . 57 PHE HE2 . 15575 1 602 . 1 1 57 57 PHE C C 13 175.740 0.011 . . . . . . . 57 PHE C . 15575 1 603 . 1 1 57 57 PHE CA C 13 56.629 0.050 . . . . . . . 57 PHE CA . 15575 1 604 . 1 1 57 57 PHE CB C 13 40.623 0.047 . . . . . . . 57 PHE CB . 15575 1 605 . 1 1 57 57 PHE N N 15 119.650 0.043 . . . . . . . 57 PHE N . 15575 1 606 . 1 1 58 58 THR H H 1 8.901 0.024 . . . . . . . 58 THR H . 15575 1 607 . 1 1 58 58 THR HA H 1 4.755 0.011 . . . . . . . 58 THR HA . 15575 1 608 . 1 1 58 58 THR HB H 1 3.900 0.014 . . . . . . . 58 THR HB . 15575 1 609 . 1 1 58 58 THR HG21 H 1 0.899 0.012 . . . . . . . 58 THR HG2 . 15575 1 610 . 1 1 58 58 THR HG22 H 1 0.899 0.012 . . . . . . . 58 THR HG2 . 15575 1 611 . 1 1 58 58 THR HG23 H 1 0.899 0.012 . . . . . . . 58 THR HG2 . 15575 1 612 . 1 1 58 58 THR C C 13 173.373 0.015 . . . . . . . 58 THR C . 15575 1 613 . 1 1 58 58 THR CA C 13 63.633 0.037 . . . . . . . 58 THR CA . 15575 1 614 . 1 1 58 58 THR CB C 13 69.899 0.026 . . . . . . . 58 THR CB . 15575 1 615 . 1 1 58 58 THR CG2 C 13 21.616 0.000 . . . . . . . 58 THR CG2 . 15575 1 616 . 1 1 58 58 THR N N 15 121.614 0.041 . . . . . . . 58 THR N . 15575 1 617 . 1 1 59 59 TYR H H 1 8.230 0.009 . . . . . . . 59 TYR H . 15575 1 618 . 1 1 59 59 TYR HA H 1 4.705 0.007 . . . . . . . 59 TYR HA . 15575 1 619 . 1 1 59 59 TYR HB2 H 1 2.275 0.015 . . . . . . . 59 TYR HB2 . 15575 1 620 . 1 1 59 59 TYR HB3 H 1 2.275 0.015 . . . . . . . 59 TYR HB3 . 15575 1 621 . 1 1 59 59 TYR HD1 H 1 6.663 0.012 . . . . . . . 59 TYR HD1 . 15575 1 622 . 1 1 59 59 TYR HD2 H 1 6.663 0.012 . . . . . . . 59 TYR HD2 . 15575 1 623 . 1 1 59 59 TYR HE1 H 1 6.346 0.010 . . . . . . . 59 TYR HE1 . 15575 1 624 . 1 1 59 59 TYR HE2 H 1 6.346 0.010 . . . . . . . 59 TYR HE2 . 15575 1 625 . 1 1 59 59 TYR C C 13 171.481 0.022 . . . . . . . 59 TYR C . 15575 1 626 . 1 1 59 59 TYR CA C 13 55.166 0.046 . . . . . . . 59 TYR CA . 15575 1 627 . 1 1 59 59 TYR CB C 13 39.900 0.044 . . . . . . . 59 TYR CB . 15575 1 628 . 1 1 59 59 TYR N N 15 123.720 0.037 . . . . . . . 59 TYR N . 15575 1 629 . 1 1 60 60 TYR H H 1 8.795 0.008 . . . . . . . 60 TYR H . 15575 1 630 . 1 1 60 60 TYR HA H 1 5.059 0.011 . . . . . . . 60 TYR HA . 15575 1 631 . 1 1 60 60 TYR HB2 H 1 2.674 0.013 . . . . . . . 60 TYR HB2 . 15575 1 632 . 1 1 60 60 TYR HB3 H 1 2.405 0.012 . . . . . . . 60 TYR HB3 . 15575 1 633 . 1 1 60 60 TYR HD1 H 1 6.608 0.008 . . . . . . . 60 TYR HD1 . 15575 1 634 . 1 1 60 60 TYR HD2 H 1 6.608 0.008 . . . . . . . 60 TYR HD2 . 15575 1 635 . 1 1 60 60 TYR HE1 H 1 6.584 0.005 . . . . . . . 60 TYR HE1 . 15575 1 636 . 1 1 60 60 TYR HE2 H 1 6.584 0.005 . . . . . . . 60 TYR HE2 . 15575 1 637 . 1 1 60 60 TYR C C 13 174.353 0.013 . . . . . . . 60 TYR C . 15575 1 638 . 1 1 60 60 TYR CA C 13 56.517 0.013 . . . . . . . 60 TYR CA . 15575 1 639 . 1 1 60 60 TYR CB C 13 41.571 0.052 . . . . . . . 60 TYR CB . 15575 1 640 . 1 1 60 60 TYR N N 15 117.723 0.040 . . . . . . . 60 TYR N . 15575 1 641 . 1 1 61 61 TYR H H 1 9.409 0.012 . . . . . . . 61 TYR H . 15575 1 642 . 1 1 61 61 TYR HA H 1 5.500 0.013 . . . . . . . 61 TYR HA . 15575 1 643 . 1 1 61 61 TYR HB2 H 1 2.755 0.013 . . . . . . . 61 TYR HB2 . 15575 1 644 . 1 1 61 61 TYR HB3 H 1 2.755 0.013 . . . . . . . 61 TYR HB3 . 15575 1 645 . 1 1 61 61 TYR HD1 H 1 6.724 0.009 . . . . . . . 61 TYR HD1 . 15575 1 646 . 1 1 61 61 TYR HD2 H 1 6.724 0.009 . . . . . . . 61 TYR HD2 . 15575 1 647 . 1 1 61 61 TYR HE1 H 1 6.505 0.007 . . . . . . . 61 TYR HE1 . 15575 1 648 . 1 1 61 61 TYR HE2 H 1 6.505 0.007 . . . . . . . 61 TYR HE2 . 15575 1 649 . 1 1 61 61 TYR C C 13 173.168 0.010 . . . . . . . 61 TYR C . 15575 1 650 . 1 1 61 61 TYR CA C 13 56.036 0.151 . . . . . . . 61 TYR CA . 15575 1 651 . 1 1 61 61 TYR CB C 13 41.934 0.108 . . . . . . . 61 TYR CB . 15575 1 652 . 1 1 61 61 TYR N N 15 123.770 0.062 . . . . . . . 61 TYR N . 15575 1 653 . 1 1 62 62 ASN H H 1 8.245 0.008 . . . . . . . 62 ASN H . 15575 1 654 . 1 1 62 62 ASN HA H 1 4.018 0.018 . . . . . . . 62 ASN HA . 15575 1 655 . 1 1 62 62 ASN HB2 H 1 2.267 0.014 . . . . . . . 62 ASN HB2 . 15575 1 656 . 1 1 62 62 ASN HB3 H 1 2.267 0.014 . . . . . . . 62 ASN HB3 . 15575 1 657 . 1 1 62 62 ASN HD21 H 1 7.353 0.004 . . . . . . . 62 ASN HD21 . 15575 1 658 . 1 1 62 62 ASN HD22 H 1 6.769 0.005 . . . . . . . 62 ASN HD22 . 15575 1 659 . 1 1 62 62 ASN C C 13 175.734 0.011 . . . . . . . 62 ASN C . 15575 1 660 . 1 1 62 62 ASN CA C 13 51.435 0.079 . . . . . . . 62 ASN CA . 15575 1 661 . 1 1 62 62 ASN CB C 13 38.148 0.091 . . . . . . . 62 ASN CB . 15575 1 662 . 1 1 62 62 ASN N N 15 126.815 0.035 . . . . . . . 62 ASN N . 15575 1 663 . 1 1 62 62 ASN ND2 N 15 116.618 0.027 . . . . . . . 62 ASN ND2 . 15575 1 664 . 1 1 63 63 THR H H 1 8.427 0.012 . . . . . . . 63 THR H . 15575 1 665 . 1 1 63 63 THR HA H 1 3.730 0.012 . . . . . . . 63 THR HA . 15575 1 666 . 1 1 63 63 THR HB H 1 4.196 0.010 . . . . . . . 63 THR HB . 15575 1 667 . 1 1 63 63 THR HG21 H 1 1.239 0.010 . . . . . . . 63 THR HG2 . 15575 1 668 . 1 1 63 63 THR HG22 H 1 1.239 0.010 . . . . . . . 63 THR HG2 . 15575 1 669 . 1 1 63 63 THR HG23 H 1 1.239 0.010 . . . . . . . 63 THR HG2 . 15575 1 670 . 1 1 63 63 THR C C 13 175.666 0.000 . . . . . . . 63 THR C . 15575 1 671 . 1 1 63 63 THR CA C 13 63.931 0.075 . . . . . . . 63 THR CA . 15575 1 672 . 1 1 63 63 THR CB C 13 68.856 0.050 . . . . . . . 63 THR CB . 15575 1 673 . 1 1 63 63 THR CG2 C 13 22.325 0.000 . . . . . . . 63 THR CG2 . 15575 1 674 . 1 1 63 63 THR N N 15 116.655 0.067 . . . . . . . 63 THR N . 15575 1 675 . 1 1 64 64 GLU H H 1 8.308 0.009 . . . . . . . 64 GLU H . 15575 1 676 . 1 1 64 64 GLU HA H 1 4.188 0.011 . . . . . . . 64 GLU HA . 15575 1 677 . 1 1 64 64 GLU HB2 H 1 1.929 0.010 . . . . . . . 64 GLU HB2 . 15575 1 678 . 1 1 64 64 GLU HB3 H 1 1.705 0.011 . . . . . . . 64 GLU HB3 . 15575 1 679 . 1 1 64 64 GLU HG2 H 1 2.092 0.014 . . . . . . . 64 GLU HG2 . 15575 1 680 . 1 1 64 64 GLU HG3 H 1 1.961 0.014 . . . . . . . 64 GLU HG3 . 15575 1 681 . 1 1 64 64 GLU C C 13 178.138 0.016 . . . . . . . 64 GLU C . 15575 1 682 . 1 1 64 64 GLU CA C 13 57.942 0.136 . . . . . . . 64 GLU CA . 15575 1 683 . 1 1 64 64 GLU CB C 13 30.455 0.049 . . . . . . . 64 GLU CB . 15575 1 684 . 1 1 64 64 GLU CG C 13 36.595 0.000 . . . . . . . 64 GLU CG . 15575 1 685 . 1 1 64 64 GLU N N 15 121.130 0.057 . . . . . . . 64 GLU N . 15575 1 686 . 1 1 65 65 THR H H 1 7.584 0.008 . . . . . . . 65 THR H . 15575 1 687 . 1 1 65 65 THR HA H 1 4.192 0.011 . . . . . . . 65 THR HA . 15575 1 688 . 1 1 65 65 THR HB H 1 4.162 0.008 . . . . . . . 65 THR HB . 15575 1 689 . 1 1 65 65 THR HG21 H 1 0.915 0.013 . . . . . . . 65 THR HG2 . 15575 1 690 . 1 1 65 65 THR HG22 H 1 0.915 0.013 . . . . . . . 65 THR HG2 . 15575 1 691 . 1 1 65 65 THR HG23 H 1 0.915 0.013 . . . . . . . 65 THR HG2 . 15575 1 692 . 1 1 65 65 THR C C 13 176.746 0.018 . . . . . . . 65 THR C . 15575 1 693 . 1 1 65 65 THR CA C 13 61.303 0.082 . . . . . . . 65 THR CA . 15575 1 694 . 1 1 65 65 THR CB C 13 70.384 0.058 . . . . . . . 65 THR CB . 15575 1 695 . 1 1 65 65 THR CG2 C 13 20.663 0.000 . . . . . . . 65 THR CG2 . 15575 1 696 . 1 1 65 65 THR N N 15 107.858 0.028 . . . . . . . 65 THR N . 15575 1 697 . 1 1 66 66 GLY H H 1 8.227 0.009 . . . . . . . 66 GLY H . 15575 1 698 . 1 1 66 66 GLY HA2 H 1 4.008 0.015 . . . . . . . 66 GLY HA2 . 15575 1 699 . 1 1 66 66 GLY HA3 H 1 3.548 0.012 . . . . . . . 66 GLY HA3 . 15575 1 700 . 1 1 66 66 GLY C C 13 173.631 0.007 . . . . . . . 66 GLY C . 15575 1 701 . 1 1 66 66 GLY CA C 13 45.120 0.112 . . . . . . . 66 GLY CA . 15575 1 702 . 1 1 66 66 GLY N N 15 111.846 0.042 . . . . . . . 66 GLY N . 15575 1 703 . 1 1 67 67 GLU H H 1 7.405 0.007 . . . . . . . 67 GLU H . 15575 1 704 . 1 1 67 67 GLU HA H 1 4.138 0.013 . . . . . . . 67 GLU HA . 15575 1 705 . 1 1 67 67 GLU HB2 H 1 1.795 0.012 . . . . . . . 67 GLU HB2 . 15575 1 706 . 1 1 67 67 GLU HB3 H 1 1.795 0.012 . . . . . . . 67 GLU HB3 . 15575 1 707 . 1 1 67 67 GLU HG2 H 1 2.285 0.009 . . . . . . . 67 GLU HG2 . 15575 1 708 . 1 1 67 67 GLU HG3 H 1 2.130 0.013 . . . . . . . 67 GLU HG3 . 15575 1 709 . 1 1 67 67 GLU C C 13 174.652 0.010 . . . . . . . 67 GLU C . 15575 1 710 . 1 1 67 67 GLU CA C 13 56.638 0.048 . . . . . . . 67 GLU CA . 15575 1 711 . 1 1 67 67 GLU CB C 13 31.372 0.080 . . . . . . . 67 GLU CB . 15575 1 712 . 1 1 67 67 GLU CG C 13 36.818 0.000 . . . . . . . 67 GLU CG . 15575 1 713 . 1 1 67 67 GLU N N 15 121.084 0.039 . . . . . . . 67 GLU N . 15575 1 714 . 1 1 68 68 SER H H 1 8.427 0.011 . . . . . . . 68 SER H . 15575 1 715 . 1 1 68 68 SER HA H 1 5.794 0.017 . . . . . . . 68 SER HA . 15575 1 716 . 1 1 68 68 SER HB2 H 1 3.570 0.013 . . . . . . . 68 SER HB2 . 15575 1 717 . 1 1 68 68 SER HB3 H 1 3.570 0.013 . . . . . . . 68 SER HB3 . 15575 1 718 . 1 1 68 68 SER C C 13 174.589 0.810 . . . . . . . 68 SER C . 15575 1 719 . 1 1 68 68 SER CA C 13 56.966 0.024 . . . . . . . 68 SER CA . 15575 1 720 . 1 1 68 68 SER CB C 13 65.791 0.059 . . . . . . . 68 SER CB . 15575 1 721 . 1 1 68 68 SER N N 15 117.110 0.097 . . . . . . . 68 SER N . 15575 1 722 . 1 1 69 69 ARG H H 1 9.463 0.013 . . . . . . . 69 ARG H . 15575 1 723 . 1 1 69 69 ARG HA H 1 4.689 0.009 . . . . . . . 69 ARG HA . 15575 1 724 . 1 1 69 69 ARG HB2 H 1 1.948 0.008 . . . . . . . 69 ARG HB2 . 15575 1 725 . 1 1 69 69 ARG HB3 H 1 1.597 0.011 . . . . . . . 69 ARG HB3 . 15575 1 726 . 1 1 69 69 ARG HD2 H 1 2.707 0.012 . . . . . . . 69 ARG HD2 . 15575 1 727 . 1 1 69 69 ARG HD3 H 1 2.707 0.012 . . . . . . . 69 ARG HD3 . 15575 1 728 . 1 1 69 69 ARG HE H 1 6.986 0.000 . . . . . . . 69 ARG HE . 15575 1 729 . 1 1 69 69 ARG HG2 H 1 1.607 0.007 . . . . . . . 69 ARG HG2 . 15575 1 730 . 1 1 69 69 ARG HG3 H 1 1.488 0.009 . . . . . . . 69 ARG HG3 . 15575 1 731 . 1 1 69 69 ARG C C 13 175.200 0.041 . . . . . . . 69 ARG C . 15575 1 732 . 1 1 69 69 ARG CA C 13 54.554 0.061 . . . . . . . 69 ARG CA . 15575 1 733 . 1 1 69 69 ARG CB C 13 35.097 0.073 . . . . . . . 69 ARG CB . 15575 1 734 . 1 1 69 69 ARG CD C 13 43.833 0.086 . . . . . . . 69 ARG CD . 15575 1 735 . 1 1 69 69 ARG CG C 13 26.998 0.151 . . . . . . . 69 ARG CG . 15575 1 736 . 1 1 69 69 ARG N N 15 121.771 0.057 . . . . . . . 69 ARG N . 15575 1 737 . 1 1 69 69 ARG NE N 15 116.302 0.010 . . . . . . . 69 ARG NE . 15575 1 738 . 1 1 70 70 TRP H H 1 8.674 0.008 . . . . . . . 70 TRP H . 15575 1 739 . 1 1 70 70 TRP HA H 1 4.931 0.008 . . . . . . . 70 TRP HA . 15575 1 740 . 1 1 70 70 TRP HB2 H 1 3.485 0.014 . . . . . . . 70 TRP HB2 . 15575 1 741 . 1 1 70 70 TRP HB3 H 1 3.000 0.008 . . . . . . . 70 TRP HB3 . 15575 1 742 . 1 1 70 70 TRP HD1 H 1 7.230 0.008 . . . . . . . 70 TRP HD1 . 15575 1 743 . 1 1 70 70 TRP HE1 H 1 9.958 0.003 . . . . . . . 70 TRP HE1 . 15575 1 744 . 1 1 70 70 TRP HE3 H 1 7.838 0.020 . . . . . . . 70 TRP HE3 . 15575 1 745 . 1 1 70 70 TRP HH2 H 1 7.007 0.005 . . . . . . . 70 TRP HH2 . 15575 1 746 . 1 1 70 70 TRP HZ2 H 1 7.214 0.010 . . . . . . . 70 TRP HZ2 . 15575 1 747 . 1 1 70 70 TRP HZ3 H 1 6.958 0.007 . . . . . . . 70 TRP HZ3 . 15575 1 748 . 1 1 70 70 TRP C C 13 175.866 0.053 . . . . . . . 70 TRP C . 15575 1 749 . 1 1 70 70 TRP CA C 13 57.750 0.062 . . . . . . . 70 TRP CA . 15575 1 750 . 1 1 70 70 TRP CB C 13 30.143 0.046 . . . . . . . 70 TRP CB . 15575 1 751 . 1 1 70 70 TRP N N 15 120.708 0.045 . . . . . . . 70 TRP N . 15575 1 752 . 1 1 70 70 TRP NE1 N 15 128.745 0.005 . . . . . . . 70 TRP NE1 . 15575 1 753 . 1 1 71 71 GLU H H 1 7.639 0.015 . . . . . . . 71 GLU H . 15575 1 754 . 1 1 71 71 GLU HA H 1 4.417 0.012 . . . . . . . 71 GLU HA . 15575 1 755 . 1 1 71 71 GLU HB2 H 1 1.829 0.014 . . . . . . . 71 GLU HB2 . 15575 1 756 . 1 1 71 71 GLU HB3 H 1 1.725 0.010 . . . . . . . 71 GLU HB3 . 15575 1 757 . 1 1 71 71 GLU HG2 H 1 2.285 0.002 . . . . . . . 71 GLU HG2 . 15575 1 758 . 1 1 71 71 GLU HG3 H 1 2.086 0.010 . . . . . . . 71 GLU HG3 . 15575 1 759 . 1 1 71 71 GLU C C 13 175.089 0.008 . . . . . . . 71 GLU C . 15575 1 760 . 1 1 71 71 GLU CA C 13 55.054 0.053 . . . . . . . 71 GLU CA . 15575 1 761 . 1 1 71 71 GLU CB C 13 31.310 0.049 . . . . . . . 71 GLU CB . 15575 1 762 . 1 1 71 71 GLU CG C 13 35.950 0.000 . . . . . . . 71 GLU CG . 15575 1 763 . 1 1 71 71 GLU N N 15 118.276 0.074 . . . . . . . 71 GLU N . 15575 1 764 . 1 1 72 72 LYS H H 1 8.344 0.006 . . . . . . . 72 LYS H . 15575 1 765 . 1 1 72 72 LYS HA H 1 4.426 0.000 . . . . . . . 72 LYS HA . 15575 1 766 . 1 1 72 72 LYS HB2 H 1 1.306 0.005 . . . . . . . 72 LYS HB2 . 15575 1 767 . 1 1 72 72 LYS HB3 H 1 1.306 0.005 . . . . . . . 72 LYS HB3 . 15575 1 768 . 1 1 72 72 LYS HD2 H 1 1.184 0.000 . . . . . . . 72 LYS HD2 . 15575 1 769 . 1 1 72 72 LYS HD3 H 1 1.184 0.000 . . . . . . . 72 LYS HD3 . 15575 1 770 . 1 1 72 72 LYS HE2 H 1 2.992 0.000 . . . . . . . 72 LYS HE2 . 15575 1 771 . 1 1 72 72 LYS HE3 H 1 2.992 0.000 . . . . . . . 72 LYS HE3 . 15575 1 772 . 1 1 72 72 LYS HG2 H 1 0.979 0.000 . . . . . . . 72 LYS HG2 . 15575 1 773 . 1 1 72 72 LYS HG3 H 1 0.979 0.000 . . . . . . . 72 LYS HG3 . 15575 1 774 . 1 1 72 72 LYS C C 13 174.843 0.000 . . . . . . . 72 LYS C . 15575 1 775 . 1 1 72 72 LYS CA C 13 54.719 0.000 . . . . . . . 72 LYS CA . 15575 1 776 . 1 1 72 72 LYS CB C 13 32.257 0.000 . . . . . . . 72 LYS CB . 15575 1 777 . 1 1 72 72 LYS N N 15 125.003 0.068 . . . . . . . 72 LYS N . 15575 1 778 . 1 1 73 73 PRO HA H 1 3.895 0.019 . . . . . . . 73 PRO HA . 15575 1 779 . 1 1 73 73 PRO HB2 H 1 1.279 0.018 . . . . . . . 73 PRO HB2 . 15575 1 780 . 1 1 73 73 PRO HB3 H 1 1.144 0.018 . . . . . . . 73 PRO HB3 . 15575 1 781 . 1 1 73 73 PRO HG2 H 1 0.571 0.000 . . . . . . . 73 PRO HG2 . 15575 1 782 . 1 1 73 73 PRO HG3 H 1 0.311 0.025 . . . . . . . 73 PRO HG3 . 15575 1 783 . 1 1 73 73 PRO C C 13 176.392 0.007 . . . . . . . 73 PRO C . 15575 1 784 . 1 1 73 73 PRO CA C 13 62.347 0.024 . . . . . . . 73 PRO CA . 15575 1 785 . 1 1 73 73 PRO CB C 13 31.554 0.021 . . . . . . . 73 PRO CB . 15575 1 786 . 1 1 73 73 PRO CD C 13 50.557 0.000 . . . . . . . 73 PRO CD . 15575 1 787 . 1 1 73 73 PRO CG C 13 26.159 0.000 . . . . . . . 73 PRO CG . 15575 1 788 . 1 1 74 74 ASP H H 1 8.268 0.009 . . . . . . . 74 ASP H . 15575 1 789 . 1 1 74 74 ASP HA H 1 4.220 0.017 . . . . . . . 74 ASP HA . 15575 1 790 . 1 1 74 74 ASP HB2 H 1 2.461 0.013 . . . . . . . 74 ASP HB2 . 15575 1 791 . 1 1 74 74 ASP HB3 H 1 2.461 0.013 . . . . . . . 74 ASP HB3 . 15575 1 792 . 1 1 74 74 ASP C C 13 176.376 0.000 . . . . . . . 74 ASP C . 15575 1 793 . 1 1 74 74 ASP CA C 13 54.929 0.083 . . . . . . . 74 ASP CA . 15575 1 794 . 1 1 74 74 ASP CB C 13 40.898 0.107 . . . . . . . 74 ASP CB . 15575 1 795 . 1 1 74 74 ASP N N 15 121.329 0.096 . . . . . . . 74 ASP N . 15575 1 796 . 1 1 75 75 ASP H H 1 8.195 0.010 . . . . . . . 75 ASP H . 15575 1 797 . 1 1 75 75 ASP HA H 1 4.401 0.014 . . . . . . . 75 ASP HA . 15575 1 798 . 1 1 75 75 ASP HB2 H 1 2.561 0.015 . . . . . . . 75 ASP HB2 . 15575 1 799 . 1 1 75 75 ASP HB3 H 1 2.516 0.015 . . . . . . . 75 ASP HB3 . 15575 1 800 . 1 1 75 75 ASP C C 13 176.398 0.000 . . . . . . . 75 ASP C . 15575 1 801 . 1 1 75 75 ASP CA C 13 54.355 0.137 . . . . . . . 75 ASP CA . 15575 1 802 . 1 1 75 75 ASP CB C 13 40.825 0.108 . . . . . . . 75 ASP CB . 15575 1 803 . 1 1 75 75 ASP N N 15 118.636 0.054 . . . . . . . 75 ASP N . 15575 1 stop_ save_