data_25229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25229 _Entry.Title ; Solution Structure of the Human FAAP20 UBZ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-16 _Entry.Accession_date 2014-09-16 _Entry.Last_release_date 2016-09-23 _Entry.Original_release_date 2016-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jessica Wojtaszek . L. . . 25229 2 Su Wang . . . . 25229 3 Pei Zhou . . . . 25229 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' . 25229 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAAP20 . 25229 'Fanconi Anemia' . 25229 UBZ . 25229 ubiquitin-binding . 25229 'zinc finger' . 25229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 25229 '15N chemical shifts' 40 25229 '1H chemical shifts' 283 25229 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-23 2014-09-16 update BMRB 'update entry citation' 25229 1 . . 2014-12-01 2014-09-16 original author 'original release' 25229 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25229 'Human FAAP20 UBZ-Ubiquitin Complex' 25229 PDB 2MUQ 'BMRB Entry Tracking System' 25229 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25229 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25414354 _Citation.Full_citation . _Citation.Title ; Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 22 _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 13997 _Citation.Page_last 14005 _Citation.Year 2014 _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 Jessica Wojtaszek . L. . . 25229 1 2 Su Wang . . . . 25229 1 3 Hyungjin Kim . . . . 25229 1 4 Qinglin Wu . L. . . 25229 1 5 Alan D'Andrea . D . . 25229 1 6 Pei Zhou . . . . 25229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25229 _Assembly.ID 1 _Assembly.Name 'Human FAAP20 UBZ' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Human FAAP20 UBZ' 1 $UBZ A . yes native no no . . . 25229 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25229 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25229 1 2 coordinate single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25229 1 3 coordinate single . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25229 1 4 coordinate single . 1 . 1 HIS 30 30 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBZ _Entity.Sf_category entity _Entity.Sf_framecode UBZ _Entity.Entry_ID 25229 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBZ _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 ; SHMGAAALRSCPMCQKEFAP RLTQLDVDSHLAQCLAESTE DVTW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '140,G through 180,W' _Entity.Polymer_author_seq_details ; Residues 1-3 represent non-native residues leftover after protease cleavage removal of an affinity tag; residues 4-44 represent the UBZ domain of human FAAP20 (140-180). ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment UBZ _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4853.517 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . SER . 25229 1 2 . HIS . 25229 1 3 . MET . 25229 1 4 . GLY . 25229 1 5 . ALA . 25229 1 6 . ALA . 25229 1 7 . ALA . 25229 1 8 . LEU . 25229 1 9 . ARG . 25229 1 10 . SER . 25229 1 11 . CYS . 25229 1 12 . PRO . 25229 1 13 . MET . 25229 1 14 . CYS . 25229 1 15 . GLN . 25229 1 16 . LYS . 25229 1 17 . GLU . 25229 1 18 . PHE . 25229 1 19 . ALA . 25229 1 20 . PRO . 25229 1 21 . ARG . 25229 1 22 . LEU . 25229 1 23 . THR . 25229 1 24 . GLN . 25229 1 25 . LEU . 25229 1 26 . ASP . 25229 1 27 . VAL . 25229 1 28 . ASP . 25229 1 29 . SER . 25229 1 30 . HIS . 25229 1 31 . LEU . 25229 1 32 . ALA . 25229 1 33 . GLN . 25229 1 34 . CYS . 25229 1 35 . LEU . 25229 1 36 . ALA . 25229 1 37 . GLU . 25229 1 38 . SER . 25229 1 39 . THR . 25229 1 40 . GLU . 25229 1 41 . ASP . 25229 1 42 . VAL . 25229 1 43 . THR . 25229 1 44 . TRP . 25229 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 . SER 1 1 25229 1 . HIS 2 2 25229 1 . MET 3 3 25229 1 . GLY 4 4 25229 1 . ALA 5 5 25229 1 . ALA 6 6 25229 1 . ALA 7 7 25229 1 . LEU 8 8 25229 1 . ARG 9 9 25229 1 . SER 10 10 25229 1 . CYS 11 11 25229 1 . PRO 12 12 25229 1 . MET 13 13 25229 1 . CYS 14 14 25229 1 . GLN 15 15 25229 1 . LYS 16 16 25229 1 . GLU 17 17 25229 1 . PHE 18 18 25229 1 . ALA 19 19 25229 1 . PRO 20 20 25229 1 . ARG 21 21 25229 1 . LEU 22 22 25229 1 . THR 23 23 25229 1 . GLN 24 24 25229 1 . LEU 25 25 25229 1 . ASP 26 26 25229 1 . VAL 27 27 25229 1 . ASP 28 28 25229 1 . SER 29 29 25229 1 . HIS 30 30 25229 1 . LEU 31 31 25229 1 . ALA 32 32 25229 1 . GLN 33 33 25229 1 . CYS 34 34 25229 1 . LEU 35 35 25229 1 . ALA 36 36 25229 1 . GLU 37 37 25229 1 . SER 38 38 25229 1 . THR 39 39 25229 1 . GLU 40 40 25229 1 . ASP 41 41 25229 1 . VAL 42 42 25229 1 . THR 43 43 25229 1 . TRP 44 44 25229 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25229 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25229 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25229 2 ZN 'Three letter code' 25229 2 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 1 ZN $chem_comp_ZN 25229 2 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 25229 _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 $UBZ . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . c1orf86 . 25229 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 25229 _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 $UBZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 25229 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25229 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25229 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25229 ZN [Zn++] SMILES CACTVS 3.341 25229 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25229 ZN [Zn+2] SMILES ACDLabs 10.04 25229 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25229 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25229 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25229 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25229 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25229 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25229 _Sample.ID 1 _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 'Human FAAP20 UBZ' '[U-100% 15N]' . . 1 $UBZ . . 1.5 . . mM . . . . 25229 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25229 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25229 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25229 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25229 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25229 _Sample.ID 2 _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 'Human FAAP20 UBZ' '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 1.5 . . mM . . . . 25229 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25229 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25229 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25229 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25229 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25229 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human FAAP20 UBZ' '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 1.5 . . mM . . . . 25229 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25229 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25229 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25229 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25229 3 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 25229 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1125 0.0125 M 25229 1 pH 7.0 . pH 25229 1 pressure 1 . atm 25229 1 temperature 298 . K 25229 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25229 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25229 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25229 1 'structure solution' 25229 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25229 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25229 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25229 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25229 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25229 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25229 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25229 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25229 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25229 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25229 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25229 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25229 5 stop_ save_ save_SCRUB _Software.Sf_category software _Software.Sf_framecode SCRUB _Software.Entry_ID 25229 _Software.ID 6 _Software.Name SCRUB _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Coggins and Zhou' . . 25229 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25229 6 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 25229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25229 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25229 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25229 1 2 spectrometer_2 Varian INOVA . 800 . . . 25229 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 25229 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25229 1 2 '3D sparse-sampled HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 3 '3D sparse-sampled HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 4 '3D sparse-sampled HNCOCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 5 '3D sparse-sampled HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 6 '3D sparse-sampled HNCOCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 7 '3D sparse-sampled HACANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 8 '3D sparse-sampled HACACONH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 9 '4D sparse-sampled HCccoNH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 11 '4D sparse-sampled HCCH TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 12 '4D sparse-sampled CHCH NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 1 13 '4D sparse-sampled CHNH NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25229 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 25229 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25229 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25229 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25229 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 25229 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 25229 1 2 '3D sparse-sampled HNCO' . . . 25229 1 3 '3D sparse-sampled HNCA' . . . 25229 1 4 '3D sparse-sampled HNCOCA' . . . 25229 1 5 '3D sparse-sampled HNCACB' . . . 25229 1 6 '3D sparse-sampled HNCOCACB' . . . 25229 1 7 '3D sparse-sampled HACANH' . . . 25229 1 8 '3D sparse-sampled HACACONH' . . . 25229 1 9 '4D sparse-sampled HCccoNH TOCSY' . . . 25229 1 10 '3D 1H-15N NOESY' . . . 25229 1 11 '4D sparse-sampled HCCH TOCSY' . . . 25229 1 12 '4D sparse-sampled CHCH NOESY' . . . 25229 1 13 '4D sparse-sampled CHNH NOESY' . . . 25229 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.650 0.020 . 1 . . . A 2 HIS HA . 25229 1 2 . 1 1 2 2 HIS HB2 H 1 3.117 0.020 . 1 . . . A 2 HIS HB2 . 25229 1 3 . 1 1 2 2 HIS HB3 H 1 3.117 0.020 . 1 . . . A 2 HIS HB3 . 25229 1 4 . 1 1 2 2 HIS HD2 H 1 7.053 0.020 . 1 . . . A 2 HIS HD2 . 25229 1 5 . 1 1 2 2 HIS HE1 H 1 7.880 0.020 . 1 . . . A 2 HIS HE1 . 25229 1 6 . 1 1 2 2 HIS CA C 13 56.178 0.400 . 1 . . . A 2 HIS CA . 25229 1 7 . 1 1 2 2 HIS CB C 13 31.096 0.400 . 1 . . . A 2 HIS CB . 25229 1 8 . 1 1 2 2 HIS CD2 C 13 119.559 0.400 . 1 . . . A 2 HIS CD2 . 25229 1 9 . 1 1 2 2 HIS CE1 C 13 138.247 0.400 . 1 . . . A 2 HIS CE1 . 25229 1 10 . 1 1 3 3 MET HA H 1 4.450 0.020 . 1 . . . A 3 MET HA . 25229 1 11 . 1 1 3 3 MET HB2 H 1 1.946 0.020 . 2 . . . A 3 MET HB2 . 25229 1 12 . 1 1 3 3 MET HB3 H 1 2.077 0.020 . 2 . . . A 3 MET HB3 . 25229 1 13 . 1 1 3 3 MET HG2 H 1 2.449 0.020 . 2 . . . A 3 MET HG2 . 25229 1 14 . 1 1 3 3 MET HG3 H 1 2.539 0.020 . 2 . . . A 3 MET HG3 . 25229 1 15 . 1 1 3 3 MET HE1 H 1 2.074 0.020 . 1 . . . A 3 MET HE1 . 25229 1 16 . 1 1 3 3 MET HE2 H 1 2.074 0.020 . 1 . . . A 3 MET HE2 . 25229 1 17 . 1 1 3 3 MET HE3 H 1 2.074 0.020 . 1 . . . A 3 MET HE3 . 25229 1 18 . 1 1 3 3 MET CA C 13 55.668 0.400 . 1 . . . A 3 MET CA . 25229 1 19 . 1 1 3 3 MET CB C 13 32.804 0.400 . 1 . . . A 3 MET CB . 25229 1 20 . 1 1 3 3 MET CG C 13 31.869 0.400 . 1 . . . A 3 MET CG . 25229 1 21 . 1 1 3 3 MET CE C 13 16.817 0.400 . 1 . . . A 3 MET CE . 25229 1 22 . 1 1 4 4 GLY H H 1 8.423 0.020 . 1 . . . A 4 GLY H . 25229 1 23 . 1 1 4 4 GLY HA2 H 1 3.947 0.020 . 1 . . . A 4 GLY HA2 . 25229 1 24 . 1 1 4 4 GLY HA3 H 1 3.947 0.020 . 1 . . . A 4 GLY HA3 . 25229 1 25 . 1 1 4 4 GLY CA C 13 45.269 0.400 . 1 . . . A 4 GLY CA . 25229 1 26 . 1 1 4 4 GLY N N 15 110.404 0.400 . 1 . . . A 4 GLY N . 25229 1 27 . 1 1 5 5 ALA H H 1 8.191 0.020 . 1 . . . A 5 ALA H . 25229 1 28 . 1 1 5 5 ALA HA H 1 4.282 0.020 . 1 . . . A 5 ALA HA . 25229 1 29 . 1 1 5 5 ALA HB1 H 1 1.378 0.020 . 1 . . . A 5 ALA HB1 . 25229 1 30 . 1 1 5 5 ALA HB2 H 1 1.378 0.020 . 1 . . . A 5 ALA HB2 . 25229 1 31 . 1 1 5 5 ALA HB3 H 1 1.378 0.020 . 1 . . . A 5 ALA HB3 . 25229 1 32 . 1 1 5 5 ALA CA C 13 52.493 0.400 . 1 . . . A 5 ALA CA . 25229 1 33 . 1 1 5 5 ALA CB C 13 19.310 0.400 . 1 . . . A 5 ALA CB . 25229 1 34 . 1 1 5 5 ALA N N 15 124.042 0.400 . 1 . . . A 5 ALA N . 25229 1 35 . 1 1 6 6 ALA H H 1 8.243 0.020 . 1 . . . A 6 ALA H . 25229 1 36 . 1 1 6 6 ALA HA H 1 4.283 0.020 . 1 . . . A 6 ALA HA . 25229 1 37 . 1 1 6 6 ALA HB1 H 1 1.369 0.020 . 1 . . . A 6 ALA HB1 . 25229 1 38 . 1 1 6 6 ALA HB2 H 1 1.369 0.020 . 1 . . . A 6 ALA HB2 . 25229 1 39 . 1 1 6 6 ALA HB3 H 1 1.369 0.020 . 1 . . . A 6 ALA HB3 . 25229 1 40 . 1 1 6 6 ALA CA C 13 52.383 0.400 . 1 . . . A 6 ALA CA . 25229 1 41 . 1 1 6 6 ALA CB C 13 19.313 0.400 . 1 . . . A 6 ALA CB . 25229 1 42 . 1 1 6 6 ALA N N 15 122.851 0.400 . 1 . . . A 6 ALA N . 25229 1 43 . 1 1 7 7 ALA H H 1 8.167 0.020 . 1 . . . A 7 ALA H . 25229 1 44 . 1 1 7 7 ALA HA H 1 4.299 0.020 . 1 . . . A 7 ALA HA . 25229 1 45 . 1 1 7 7 ALA HB1 H 1 1.363 0.020 . 1 . . . A 7 ALA HB1 . 25229 1 46 . 1 1 7 7 ALA HB2 H 1 1.363 0.020 . 1 . . . A 7 ALA HB2 . 25229 1 47 . 1 1 7 7 ALA HB3 H 1 1.363 0.020 . 1 . . . A 7 ALA HB3 . 25229 1 48 . 1 1 7 7 ALA CA C 13 52.266 0.400 . 1 . . . A 7 ALA CA . 25229 1 49 . 1 1 7 7 ALA CB C 13 19.285 0.400 . 1 . . . A 7 ALA CB . 25229 1 50 . 1 1 7 7 ALA N N 15 123.014 0.400 . 1 . . . A 7 ALA N . 25229 1 51 . 1 1 8 8 LEU H H 1 8.137 0.020 . 1 . . . A 8 LEU H . 25229 1 52 . 1 1 8 8 LEU HA H 1 4.428 0.020 . 1 . . . A 8 LEU HA . 25229 1 53 . 1 1 8 8 LEU HB2 H 1 1.703 0.020 . 1 . . . A 8 LEU HB2 . 25229 1 54 . 1 1 8 8 LEU HB3 H 1 1.703 0.020 . 1 . . . A 8 LEU HB3 . 25229 1 55 . 1 1 8 8 LEU HG H 1 1.740 0.020 . 1 . . . A 8 LEU HG . 25229 1 56 . 1 1 8 8 LEU HD11 H 1 0.963 0.020 . 2 . . . A 8 LEU HD11 . 25229 1 57 . 1 1 8 8 LEU HD12 H 1 0.963 0.020 . 2 . . . A 8 LEU HD12 . 25229 1 58 . 1 1 8 8 LEU HD13 H 1 0.963 0.020 . 2 . . . A 8 LEU HD13 . 25229 1 59 . 1 1 8 8 LEU HD21 H 1 0.985 0.020 . 2 . . . A 8 LEU HD21 . 25229 1 60 . 1 1 8 8 LEU HD22 H 1 0.985 0.020 . 2 . . . A 8 LEU HD22 . 25229 1 61 . 1 1 8 8 LEU HD23 H 1 0.985 0.020 . 2 . . . A 8 LEU HD23 . 25229 1 62 . 1 1 8 8 LEU CA C 13 54.962 0.400 . 1 . . . A 8 LEU CA . 25229 1 63 . 1 1 8 8 LEU CB C 13 42.812 0.400 . 1 . . . A 8 LEU CB . 25229 1 64 . 1 1 8 8 LEU CG C 13 27.101 0.400 . 1 . . . A 8 LEU CG . 25229 1 65 . 1 1 8 8 LEU CD1 C 13 23.713 0.400 . 1 . . . A 8 LEU CD1 . 25229 1 66 . 1 1 8 8 LEU CD2 C 13 25.372 0.400 . 1 . . . A 8 LEU CD2 . 25229 1 67 . 1 1 8 8 LEU N N 15 121.468 0.400 . 1 . . . A 8 LEU N . 25229 1 68 . 1 1 9 9 ARG H H 1 8.661 0.020 . 1 . . . A 9 ARG H . 25229 1 69 . 1 1 9 9 ARG HA H 1 4.551 0.020 . 1 . . . A 9 ARG HA . 25229 1 70 . 1 1 9 9 ARG HB2 H 1 1.915 0.020 . 2 . . . A 9 ARG HB2 . 25229 1 71 . 1 1 9 9 ARG HB3 H 1 2.054 0.020 . 2 . . . A 9 ARG HB3 . 25229 1 72 . 1 1 9 9 ARG HG2 H 1 1.796 0.020 . 1 . . . A 9 ARG HG2 . 25229 1 73 . 1 1 9 9 ARG HG3 H 1 1.796 0.020 . 1 . . . A 9 ARG HG3 . 25229 1 74 . 1 1 9 9 ARG HD2 H 1 3.181 0.020 . 2 . . . A 9 ARG HD2 . 25229 1 75 . 1 1 9 9 ARG HD3 H 1 3.303 0.020 . 2 . . . A 9 ARG HD3 . 25229 1 76 . 1 1 9 9 ARG CA C 13 56.074 0.400 . 1 . . . A 9 ARG CA . 25229 1 77 . 1 1 9 9 ARG CB C 13 31.407 0.400 . 1 . . . A 9 ARG CB . 25229 1 78 . 1 1 9 9 ARG CG C 13 26.640 0.400 . 1 . . . A 9 ARG CG . 25229 1 79 . 1 1 9 9 ARG CD C 13 43.267 0.400 . 1 . . . A 9 ARG CD . 25229 1 80 . 1 1 9 9 ARG N N 15 121.900 0.400 . 1 . . . A 9 ARG N . 25229 1 81 . 1 1 10 10 SER H H 1 7.916 0.020 . 1 . . . A 10 SER H . 25229 1 82 . 1 1 10 10 SER HA H 1 4.699 0.020 . 1 . . . A 10 SER HA . 25229 1 83 . 1 1 10 10 SER HB2 H 1 3.218 0.020 . 2 . . . A 10 SER HB2 . 25229 1 84 . 1 1 10 10 SER HB3 H 1 3.445 0.020 . 2 . . . A 10 SER HB3 . 25229 1 85 . 1 1 10 10 SER CA C 13 56.024 0.400 . 1 . . . A 10 SER CA . 25229 1 86 . 1 1 10 10 SER CB C 13 65.807 0.400 . 1 . . . A 10 SER CB . 25229 1 87 . 1 1 10 10 SER N N 15 113.434 0.400 . 1 . . . A 10 SER N . 25229 1 88 . 1 1 11 11 CYS H H 1 8.173 0.020 . 1 . . . A 11 CYS H . 25229 1 89 . 1 1 11 11 CYS HA H 1 4.672 0.020 . 1 . . . A 11 CYS HA . 25229 1 90 . 1 1 11 11 CYS HB2 H 1 2.508 0.020 . 2 . . . A 11 CYS HB2 . 25229 1 91 . 1 1 11 11 CYS HB3 H 1 3.129 0.020 . 2 . . . A 11 CYS HB3 . 25229 1 92 . 1 1 11 11 CYS CA C 13 56.159 0.400 . 1 . . . A 11 CYS CA . 25229 1 93 . 1 1 11 11 CYS CB C 13 31.388 0.400 . 1 . . . A 11 CYS CB . 25229 1 94 . 1 1 11 11 CYS N N 15 125.462 0.400 . 1 . . . A 11 CYS N . 25229 1 95 . 1 1 12 12 PRO HA H 1 4.476 0.020 . 1 . . . A 12 PRO HA . 25229 1 96 . 1 1 12 12 PRO HB2 H 1 2.029 0.020 . 2 . . . A 12 PRO HB2 . 25229 1 97 . 1 1 12 12 PRO HB3 H 1 2.380 0.020 . 2 . . . A 12 PRO HB3 . 25229 1 98 . 1 1 12 12 PRO HG2 H 1 2.028 0.020 . 2 . . . A 12 PRO HG2 . 25229 1 99 . 1 1 12 12 PRO HG3 H 1 2.143 0.020 . 2 . . . A 12 PRO HG3 . 25229 1 100 . 1 1 12 12 PRO HD2 H 1 4.118 0.020 . 2 . . . A 12 PRO HD2 . 25229 1 101 . 1 1 12 12 PRO HD3 H 1 4.239 0.020 . 2 . . . A 12 PRO HD3 . 25229 1 102 . 1 1 12 12 PRO CA C 13 64.257 0.400 . 1 . . . A 12 PRO CA . 25229 1 103 . 1 1 12 12 PRO CB C 13 32.185 0.400 . 1 . . . A 12 PRO CB . 25229 1 104 . 1 1 12 12 PRO CG C 13 27.050 0.400 . 1 . . . A 12 PRO CG . 25229 1 105 . 1 1 12 12 PRO CD C 13 51.264 0.400 . 1 . . . A 12 PRO CD . 25229 1 106 . 1 1 13 13 MET H H 1 9.132 0.020 . 1 . . . A 13 MET H . 25229 1 107 . 1 1 13 13 MET HA H 1 4.549 0.020 . 1 . . . A 13 MET HA . 25229 1 108 . 1 1 13 13 MET HB2 H 1 2.185 0.020 . 2 . . . A 13 MET HB2 . 25229 1 109 . 1 1 13 13 MET HB3 H 1 2.310 0.020 . 2 . . . A 13 MET HB3 . 25229 1 110 . 1 1 13 13 MET HG2 H 1 2.415 0.020 . 2 . . . A 13 MET HG2 . 25229 1 111 . 1 1 13 13 MET HG3 H 1 2.628 0.020 . 2 . . . A 13 MET HG3 . 25229 1 112 . 1 1 13 13 MET HE1 H 1 2.190 0.020 . 1 . . . A 13 MET HE1 . 25229 1 113 . 1 1 13 13 MET HE2 H 1 2.190 0.020 . 1 . . . A 13 MET HE2 . 25229 1 114 . 1 1 13 13 MET HE3 H 1 2.190 0.020 . 1 . . . A 13 MET HE3 . 25229 1 115 . 1 1 13 13 MET CA C 13 57.426 0.400 . 1 . . . A 13 MET CA . 25229 1 116 . 1 1 13 13 MET CB C 13 33.451 0.400 . 1 . . . A 13 MET CB . 25229 1 117 . 1 1 13 13 MET CG C 13 33.191 0.400 . 1 . . . A 13 MET CG . 25229 1 118 . 1 1 13 13 MET CE C 13 17.895 0.400 . 1 . . . A 13 MET CE . 25229 1 119 . 1 1 13 13 MET N N 15 120.537 0.400 . 1 . . . A 13 MET N . 25229 1 120 . 1 1 14 14 CYS H H 1 8.331 0.020 . 1 . . . A 14 CYS H . 25229 1 121 . 1 1 14 14 CYS HA H 1 4.943 0.020 . 1 . . . A 14 CYS HA . 25229 1 122 . 1 1 14 14 CYS HB2 H 1 2.650 0.020 . 2 . . . A 14 CYS HB2 . 25229 1 123 . 1 1 14 14 CYS HB3 H 1 3.251 0.020 . 2 . . . A 14 CYS HB3 . 25229 1 124 . 1 1 14 14 CYS CA C 13 58.945 0.400 . 1 . . . A 14 CYS CA . 25229 1 125 . 1 1 14 14 CYS CB C 13 31.882 0.400 . 1 . . . A 14 CYS CB . 25229 1 126 . 1 1 14 14 CYS N N 15 118.266 0.400 . 1 . . . A 14 CYS N . 25229 1 127 . 1 1 15 15 GLN H H 1 7.789 0.020 . 1 . . . A 15 GLN H . 25229 1 128 . 1 1 15 15 GLN HA H 1 4.010 0.020 . 1 . . . A 15 GLN HA . 25229 1 129 . 1 1 15 15 GLN HB2 H 1 2.258 0.020 . 2 . . . A 15 GLN HB2 . 25229 1 130 . 1 1 15 15 GLN HB3 H 1 2.376 0.020 . 2 . . . A 15 GLN HB3 . 25229 1 131 . 1 1 15 15 GLN HG2 H 1 2.182 0.020 . 1 . . . A 15 GLN HG2 . 25229 1 132 . 1 1 15 15 GLN HG3 H 1 2.182 0.020 . 1 . . . A 15 GLN HG3 . 25229 1 133 . 1 1 15 15 GLN CA C 13 58.046 0.400 . 1 . . . A 15 GLN CA . 25229 1 134 . 1 1 15 15 GLN CB C 13 25.591 0.400 . 1 . . . A 15 GLN CB . 25229 1 135 . 1 1 15 15 GLN CG C 13 34.231 0.400 . 1 . . . A 15 GLN CG . 25229 1 136 . 1 1 15 15 GLN N N 15 115.660 0.400 . 1 . . . A 15 GLN N . 25229 1 137 . 1 1 16 16 LYS H H 1 8.222 0.020 . 1 . . . A 16 LYS H . 25229 1 138 . 1 1 16 16 LYS HA H 1 3.975 0.020 . 1 . . . A 16 LYS HA . 25229 1 139 . 1 1 16 16 LYS HB2 H 1 1.146 0.020 . 2 . . . A 16 LYS HB2 . 25229 1 140 . 1 1 16 16 LYS HB3 H 1 1.797 0.020 . 2 . . . A 16 LYS HB3 . 25229 1 141 . 1 1 16 16 LYS HG2 H 1 0.921 0.020 . 2 . . . A 16 LYS HG2 . 25229 1 142 . 1 1 16 16 LYS HG3 H 1 1.118 0.020 . 2 . . . A 16 LYS HG3 . 25229 1 143 . 1 1 16 16 LYS HD2 H 1 1.200 0.020 . 2 . . . A 16 LYS HD2 . 25229 1 144 . 1 1 16 16 LYS HD3 H 1 1.412 0.020 . 2 . . . A 16 LYS HD3 . 25229 1 145 . 1 1 16 16 LYS HE2 H 1 2.853 0.020 . 1 . . . A 16 LYS HE2 . 25229 1 146 . 1 1 16 16 LYS HE3 H 1 2.853 0.020 . 1 . . . A 16 LYS HE3 . 25229 1 147 . 1 1 16 16 LYS CA C 13 57.336 0.400 . 1 . . . A 16 LYS CA . 25229 1 148 . 1 1 16 16 LYS CB C 13 33.252 0.400 . 1 . . . A 16 LYS CB . 25229 1 149 . 1 1 16 16 LYS CG C 13 24.692 0.400 . 1 . . . A 16 LYS CG . 25229 1 150 . 1 1 16 16 LYS CD C 13 29.084 0.400 . 1 . . . A 16 LYS CD . 25229 1 151 . 1 1 16 16 LYS CE C 13 41.790 0.400 . 1 . . . A 16 LYS CE . 25229 1 152 . 1 1 16 16 LYS N N 15 122.955 0.400 . 1 . . . A 16 LYS N . 25229 1 153 . 1 1 17 17 GLU H H 1 8.367 0.020 . 1 . . . A 17 GLU H . 25229 1 154 . 1 1 17 17 GLU HA H 1 4.075 0.020 . 1 . . . A 17 GLU HA . 25229 1 155 . 1 1 17 17 GLU HB2 H 1 1.856 0.020 . 1 . . . A 17 GLU HB2 . 25229 1 156 . 1 1 17 17 GLU HB3 H 1 1.856 0.020 . 1 . . . A 17 GLU HB3 . 25229 1 157 . 1 1 17 17 GLU HG2 H 1 2.034 0.020 . 2 . . . A 17 GLU HG2 . 25229 1 158 . 1 1 17 17 GLU HG3 H 1 2.267 0.020 . 2 . . . A 17 GLU HG3 . 25229 1 159 . 1 1 17 17 GLU CA C 13 55.676 0.400 . 1 . . . A 17 GLU CA . 25229 1 160 . 1 1 17 17 GLU CB C 13 30.687 0.400 . 1 . . . A 17 GLU CB . 25229 1 161 . 1 1 17 17 GLU CG C 13 36.658 0.400 . 1 . . . A 17 GLU CG . 25229 1 162 . 1 1 17 17 GLU N N 15 123.884 0.400 . 1 . . . A 17 GLU N . 25229 1 163 . 1 1 18 18 PHE H H 1 8.177 0.020 . 1 . . . A 18 PHE H . 25229 1 164 . 1 1 18 18 PHE HA H 1 4.714 0.020 . 1 . . . A 18 PHE HA . 25229 1 165 . 1 1 18 18 PHE HB2 H 1 2.710 0.020 . 2 . . . A 18 PHE HB2 . 25229 1 166 . 1 1 18 18 PHE HB3 H 1 2.912 0.020 . 2 . . . A 18 PHE HB3 . 25229 1 167 . 1 1 18 18 PHE HD1 H 1 6.896 0.020 . 1 . . . A 18 PHE HD1 . 25229 1 168 . 1 1 18 18 PHE HD2 H 1 6.896 0.020 . 1 . . . A 18 PHE HD2 . 25229 1 169 . 1 1 18 18 PHE HE1 H 1 6.800 0.020 . 1 . . . A 18 PHE HE1 . 25229 1 170 . 1 1 18 18 PHE HE2 H 1 6.800 0.020 . 1 . . . A 18 PHE HE2 . 25229 1 171 . 1 1 18 18 PHE HZ H 1 6.929 0.020 . 1 . . . A 18 PHE HZ . 25229 1 172 . 1 1 18 18 PHE CA C 13 55.622 0.400 . 1 . . . A 18 PHE CA . 25229 1 173 . 1 1 18 18 PHE CB C 13 38.844 0.400 . 1 . . . A 18 PHE CB . 25229 1 174 . 1 1 18 18 PHE CD1 C 13 131.094 0.400 . 1 . . . A 18 PHE CD1 . 25229 1 175 . 1 1 18 18 PHE CD2 C 13 131.094 0.400 . 1 . . . A 18 PHE CD2 . 25229 1 176 . 1 1 18 18 PHE CE1 C 13 130.443 0.400 . 1 . . . A 18 PHE CE1 . 25229 1 177 . 1 1 18 18 PHE CE2 C 13 130.443 0.400 . 1 . . . A 18 PHE CE2 . 25229 1 178 . 1 1 18 18 PHE CZ C 13 128.174 0.400 . 1 . . . A 18 PHE CZ . 25229 1 179 . 1 1 18 18 PHE N N 15 123.877 0.400 . 1 . . . A 18 PHE N . 25229 1 180 . 1 1 19 19 ALA H H 1 8.433 0.020 . 1 . . . A 19 ALA H . 25229 1 181 . 1 1 19 19 ALA HA H 1 4.554 0.020 . 1 . . . A 19 ALA HA . 25229 1 182 . 1 1 19 19 ALA HB1 H 1 1.509 0.020 . 1 . . . A 19 ALA HB1 . 25229 1 183 . 1 1 19 19 ALA HB2 H 1 1.509 0.020 . 1 . . . A 19 ALA HB2 . 25229 1 184 . 1 1 19 19 ALA HB3 H 1 1.509 0.020 . 1 . . . A 19 ALA HB3 . 25229 1 185 . 1 1 19 19 ALA CA C 13 50.993 0.400 . 1 . . . A 19 ALA CA . 25229 1 186 . 1 1 19 19 ALA CB C 13 17.558 0.400 . 1 . . . A 19 ALA CB . 25229 1 187 . 1 1 19 19 ALA N N 15 128.636 0.400 . 1 . . . A 19 ALA N . 25229 1 188 . 1 1 20 20 PRO HA H 1 4.355 0.020 . 1 . . . A 20 PRO HA . 25229 1 189 . 1 1 20 20 PRO HB2 H 1 1.949 0.020 . 2 . . . A 20 PRO HB2 . 25229 1 190 . 1 1 20 20 PRO HB3 H 1 2.386 0.020 . 2 . . . A 20 PRO HB3 . 25229 1 191 . 1 1 20 20 PRO HG2 H 1 2.063 0.020 . 2 . . . A 20 PRO HG2 . 25229 1 192 . 1 1 20 20 PRO HG3 H 1 2.105 0.020 . 2 . . . A 20 PRO HG3 . 25229 1 193 . 1 1 20 20 PRO HD2 H 1 3.823 0.020 . 2 . . . A 20 PRO HD2 . 25229 1 194 . 1 1 20 20 PRO HD3 H 1 3.885 0.020 . 2 . . . A 20 PRO HD3 . 25229 1 195 . 1 1 20 20 PRO CA C 13 64.969 0.400 . 1 . . . A 20 PRO CA . 25229 1 196 . 1 1 20 20 PRO CB C 13 31.916 0.400 . 1 . . . A 20 PRO CB . 25229 1 197 . 1 1 20 20 PRO CG C 13 27.579 0.400 . 1 . . . A 20 PRO CG . 25229 1 198 . 1 1 20 20 PRO CD C 13 50.514 0.400 . 1 . . . A 20 PRO CD . 25229 1 199 . 1 1 21 21 ARG H H 1 7.660 0.020 . 1 . . . A 21 ARG H . 25229 1 200 . 1 1 21 21 ARG HA H 1 4.207 0.020 . 1 . . . A 21 ARG HA . 25229 1 201 . 1 1 21 21 ARG HB2 H 1 1.880 0.020 . 1 . . . A 21 ARG HB2 . 25229 1 202 . 1 1 21 21 ARG HB3 H 1 1.880 0.020 . 1 . . . A 21 ARG HB3 . 25229 1 203 . 1 1 21 21 ARG HG2 H 1 1.496 0.020 . 2 . . . A 21 ARG HG2 . 25229 1 204 . 1 1 21 21 ARG HG3 H 1 1.552 0.020 . 2 . . . A 21 ARG HG3 . 25229 1 205 . 1 1 21 21 ARG HD2 H 1 3.182 0.020 . 1 . . . A 21 ARG HD2 . 25229 1 206 . 1 1 21 21 ARG HD3 H 1 3.182 0.020 . 1 . . . A 21 ARG HD3 . 25229 1 207 . 1 1 21 21 ARG CA C 13 56.305 0.400 . 1 . . . A 21 ARG CA . 25229 1 208 . 1 1 21 21 ARG CB C 13 29.246 0.400 . 1 . . . A 21 ARG CB . 25229 1 209 . 1 1 21 21 ARG CG C 13 27.080 0.400 . 1 . . . A 21 ARG CG . 25229 1 210 . 1 1 21 21 ARG CD C 13 43.115 0.400 . 1 . . . A 21 ARG CD . 25229 1 211 . 1 1 21 21 ARG N N 15 111.683 0.400 . 1 . . . A 21 ARG N . 25229 1 212 . 1 1 22 22 LEU H H 1 7.556 0.020 . 1 . . . A 22 LEU H . 25229 1 213 . 1 1 22 22 LEU HA H 1 4.393 0.020 . 1 . . . A 22 LEU HA . 25229 1 214 . 1 1 22 22 LEU HB2 H 1 1.552 0.020 . 2 . . . A 22 LEU HB2 . 25229 1 215 . 1 1 22 22 LEU HB3 H 1 1.748 0.020 . 2 . . . A 22 LEU HB3 . 25229 1 216 . 1 1 22 22 LEU HG H 1 1.866 0.020 . 1 . . . A 22 LEU HG . 25229 1 217 . 1 1 22 22 LEU HD11 H 1 0.853 0.020 . 2 . . . A 22 LEU HD11 . 25229 1 218 . 1 1 22 22 LEU HD12 H 1 0.853 0.020 . 2 . . . A 22 LEU HD12 . 25229 1 219 . 1 1 22 22 LEU HD13 H 1 0.853 0.020 . 2 . . . A 22 LEU HD13 . 25229 1 220 . 1 1 22 22 LEU HD21 H 1 1.024 0.020 . 2 . . . A 22 LEU HD21 . 25229 1 221 . 1 1 22 22 LEU HD22 H 1 1.024 0.020 . 2 . . . A 22 LEU HD22 . 25229 1 222 . 1 1 22 22 LEU HD23 H 1 1.024 0.020 . 2 . . . A 22 LEU HD23 . 25229 1 223 . 1 1 22 22 LEU CA C 13 55.717 0.400 . 1 . . . A 22 LEU CA . 25229 1 224 . 1 1 22 22 LEU CB C 13 41.483 0.400 . 1 . . . A 22 LEU CB . 25229 1 225 . 1 1 22 22 LEU CG C 13 27.659 0.400 . 1 . . . A 22 LEU CG . 25229 1 226 . 1 1 22 22 LEU CD1 C 13 23.153 0.400 . 1 . . . A 22 LEU CD1 . 25229 1 227 . 1 1 22 22 LEU CD2 C 13 25.686 0.400 . 1 . . . A 22 LEU CD2 . 25229 1 228 . 1 1 22 22 LEU N N 15 121.417 0.400 . 1 . . . A 22 LEU N . 25229 1 229 . 1 1 23 23 THR H H 1 9.120 0.020 . 1 . . . A 23 THR H . 25229 1 230 . 1 1 23 23 THR HA H 1 4.455 0.020 . 1 . . . A 23 THR HA . 25229 1 231 . 1 1 23 23 THR HB H 1 4.652 0.020 . 1 . . . A 23 THR HB . 25229 1 232 . 1 1 23 23 THR HG21 H 1 1.382 0.020 . 1 . . . A 23 THR HG21 . 25229 1 233 . 1 1 23 23 THR HG22 H 1 1.382 0.020 . 1 . . . A 23 THR HG22 . 25229 1 234 . 1 1 23 23 THR HG23 H 1 1.382 0.020 . 1 . . . A 23 THR HG23 . 25229 1 235 . 1 1 23 23 THR CA C 13 60.644 0.400 . 1 . . . A 23 THR CA . 25229 1 236 . 1 1 23 23 THR CB C 13 71.479 0.400 . 1 . . . A 23 THR CB . 25229 1 237 . 1 1 23 23 THR CG2 C 13 21.635 0.400 . 1 . . . A 23 THR CG2 . 25229 1 238 . 1 1 23 23 THR N N 15 114.867 0.400 . 1 . . . A 23 THR N . 25229 1 239 . 1 1 24 24 GLN H H 1 8.869 0.020 . 1 . . . A 24 GLN H . 25229 1 240 . 1 1 24 24 GLN HA H 1 3.726 0.020 . 1 . . . A 24 GLN HA . 25229 1 241 . 1 1 24 24 GLN HB2 H 1 1.961 0.020 . 2 . . . A 24 GLN HB2 . 25229 1 242 . 1 1 24 24 GLN HB3 H 1 2.180 0.020 . 2 . . . A 24 GLN HB3 . 25229 1 243 . 1 1 24 24 GLN HG2 H 1 2.409 0.020 . 1 . . . A 24 GLN HG2 . 25229 1 244 . 1 1 24 24 GLN HG3 H 1 2.409 0.020 . 1 . . . A 24 GLN HG3 . 25229 1 245 . 1 1 24 24 GLN CA C 13 58.336 0.400 . 1 . . . A 24 GLN CA . 25229 1 246 . 1 1 24 24 GLN CB C 13 28.002 0.400 . 1 . . . A 24 GLN CB . 25229 1 247 . 1 1 24 24 GLN CG C 13 33.174 0.400 . 1 . . . A 24 GLN CG . 25229 1 248 . 1 1 24 24 GLN N N 15 120.923 0.400 . 1 . . . A 24 GLN N . 25229 1 249 . 1 1 25 25 LEU H H 1 7.761 0.020 . 1 . . . A 25 LEU H . 25229 1 250 . 1 1 25 25 LEU HA H 1 4.189 0.020 . 1 . . . A 25 LEU HA . 25229 1 251 . 1 1 25 25 LEU HB2 H 1 1.592 0.020 . 1 . . . A 25 LEU HB2 . 25229 1 252 . 1 1 25 25 LEU HB3 H 1 1.592 0.020 . 1 . . . A 25 LEU HB3 . 25229 1 253 . 1 1 25 25 LEU HG H 1 1.640 0.020 . 1 . . . A 25 LEU HG . 25229 1 254 . 1 1 25 25 LEU HD11 H 1 0.895 0.020 . 2 . . . A 25 LEU HD11 . 25229 1 255 . 1 1 25 25 LEU HD12 H 1 0.895 0.020 . 2 . . . A 25 LEU HD12 . 25229 1 256 . 1 1 25 25 LEU HD13 H 1 0.895 0.020 . 2 . . . A 25 LEU HD13 . 25229 1 257 . 1 1 25 25 LEU HD21 H 1 0.900 0.020 . 2 . . . A 25 LEU HD21 . 25229 1 258 . 1 1 25 25 LEU HD22 H 1 0.900 0.020 . 2 . . . A 25 LEU HD22 . 25229 1 259 . 1 1 25 25 LEU HD23 H 1 0.900 0.020 . 2 . . . A 25 LEU HD23 . 25229 1 260 . 1 1 25 25 LEU CA C 13 57.972 0.400 . 1 . . . A 25 LEU CA . 25229 1 261 . 1 1 25 25 LEU CB C 13 41.647 0.400 . 1 . . . A 25 LEU CB . 25229 1 262 . 1 1 25 25 LEU CG C 13 27.125 0.400 . 1 . . . A 25 LEU CG . 25229 1 263 . 1 1 25 25 LEU CD1 C 13 24.298 0.400 . 1 . . . A 25 LEU CD1 . 25229 1 264 . 1 1 25 25 LEU CD2 C 13 24.318 0.400 . 1 . . . A 25 LEU CD2 . 25229 1 265 . 1 1 25 25 LEU N N 15 118.215 0.400 . 1 . . . A 25 LEU N . 25229 1 266 . 1 1 26 26 ASP H H 1 7.539 0.020 . 1 . . . A 26 ASP H . 25229 1 267 . 1 1 26 26 ASP HA H 1 4.347 0.020 . 1 . . . A 26 ASP HA . 25229 1 268 . 1 1 26 26 ASP HB2 H 1 2.613 0.020 . 2 . . . A 26 ASP HB2 . 25229 1 269 . 1 1 26 26 ASP HB3 H 1 2.980 0.020 . 2 . . . A 26 ASP HB3 . 25229 1 270 . 1 1 26 26 ASP CA C 13 57.532 0.400 . 1 . . . A 26 ASP CA . 25229 1 271 . 1 1 26 26 ASP CB C 13 41.641 0.400 . 1 . . . A 26 ASP CB . 25229 1 272 . 1 1 26 26 ASP N N 15 120.786 0.400 . 1 . . . A 26 ASP N . 25229 1 273 . 1 1 27 27 VAL H H 1 7.805 0.020 . 1 . . . A 27 VAL H . 25229 1 274 . 1 1 27 27 VAL HA H 1 2.900 0.020 . 1 . . . A 27 VAL HA . 25229 1 275 . 1 1 27 27 VAL HB H 1 1.900 0.020 . 1 . . . A 27 VAL HB . 25229 1 276 . 1 1 27 27 VAL HG11 H 1 0.240 0.020 . 2 . . . A 27 VAL HG11 . 25229 1 277 . 1 1 27 27 VAL HG12 H 1 0.240 0.020 . 2 . . . A 27 VAL HG12 . 25229 1 278 . 1 1 27 27 VAL HG13 H 1 0.240 0.020 . 2 . . . A 27 VAL HG13 . 25229 1 279 . 1 1 27 27 VAL HG21 H 1 0.449 0.020 . 2 . . . A 27 VAL HG21 . 25229 1 280 . 1 1 27 27 VAL HG22 H 1 0.449 0.020 . 2 . . . A 27 VAL HG22 . 25229 1 281 . 1 1 27 27 VAL HG23 H 1 0.449 0.020 . 2 . . . A 27 VAL HG23 . 25229 1 282 . 1 1 27 27 VAL CA C 13 66.764 0.400 . 1 . . . A 27 VAL CA . 25229 1 283 . 1 1 27 27 VAL CB C 13 31.342 0.400 . 1 . . . A 27 VAL CB . 25229 1 284 . 1 1 27 27 VAL CG1 C 13 21.822 0.400 . 1 . . . A 27 VAL CG1 . 25229 1 285 . 1 1 27 27 VAL CG2 C 13 20.585 0.400 . 1 . . . A 27 VAL CG2 . 25229 1 286 . 1 1 27 27 VAL N N 15 123.699 0.400 . 1 . . . A 27 VAL N . 25229 1 287 . 1 1 28 28 ASP H H 1 8.895 0.020 . 1 . . . A 28 ASP H . 25229 1 288 . 1 1 28 28 ASP HA H 1 4.357 0.020 . 1 . . . A 28 ASP HA . 25229 1 289 . 1 1 28 28 ASP HB2 H 1 2.621 0.020 . 2 . . . A 28 ASP HB2 . 25229 1 290 . 1 1 28 28 ASP HB3 H 1 2.785 0.020 . 2 . . . A 28 ASP HB3 . 25229 1 291 . 1 1 28 28 ASP CA C 13 57.678 0.400 . 1 . . . A 28 ASP CA . 25229 1 292 . 1 1 28 28 ASP CB C 13 39.900 0.400 . 1 . . . A 28 ASP CB . 25229 1 293 . 1 1 28 28 ASP N N 15 120.628 0.400 . 1 . . . A 28 ASP N . 25229 1 294 . 1 1 29 29 SER H H 1 8.284 0.020 . 1 . . . A 29 SER H . 25229 1 295 . 1 1 29 29 SER HA H 1 4.287 0.020 . 1 . . . A 29 SER HA . 25229 1 296 . 1 1 29 29 SER HB2 H 1 4.003 0.020 . 2 . . . A 29 SER HB2 . 25229 1 297 . 1 1 29 29 SER HB3 H 1 4.066 0.020 . 2 . . . A 29 SER HB3 . 25229 1 298 . 1 1 29 29 SER CA C 13 61.454 0.400 . 1 . . . A 29 SER CA . 25229 1 299 . 1 1 29 29 SER CB C 13 62.751 0.400 . 1 . . . A 29 SER CB . 25229 1 300 . 1 1 29 29 SER N N 15 115.786 0.400 . 1 . . . A 29 SER N . 25229 1 301 . 1 1 30 30 HIS H H 1 7.831 0.020 . 1 . . . A 30 HIS H . 25229 1 302 . 1 1 30 30 HIS HA H 1 4.252 0.020 . 1 . . . A 30 HIS HA . 25229 1 303 . 1 1 30 30 HIS HB2 H 1 3.383 0.020 . 2 . . . A 30 HIS HB2 . 25229 1 304 . 1 1 30 30 HIS HB3 H 1 3.637 0.020 . 2 . . . A 30 HIS HB3 . 25229 1 305 . 1 1 30 30 HIS HD2 H 1 7.248 0.020 . 1 . . . A 30 HIS HD2 . 25229 1 306 . 1 1 30 30 HIS HE1 H 1 7.943 0.020 . 1 . . . A 30 HIS HE1 . 25229 1 307 . 1 1 30 30 HIS CA C 13 60.442 0.400 . 1 . . . A 30 HIS CA . 25229 1 308 . 1 1 30 30 HIS CB C 13 27.757 0.400 . 1 . . . A 30 HIS CB . 25229 1 309 . 1 1 30 30 HIS CD2 C 13 127.932 0.400 . 1 . . . A 30 HIS CD2 . 25229 1 310 . 1 1 30 30 HIS CE1 C 13 139.448 0.400 . 1 . . . A 30 HIS CE1 . 25229 1 311 . 1 1 30 30 HIS N N 15 121.227 0.400 . 1 . . . A 30 HIS N . 25229 1 312 . 1 1 31 31 LEU H H 1 8.845 0.020 . 1 . . . A 31 LEU H . 25229 1 313 . 1 1 31 31 LEU HA H 1 3.996 0.020 . 1 . . . A 31 LEU HA . 25229 1 314 . 1 1 31 31 LEU HB2 H 1 1.621 0.020 . 2 . . . A 31 LEU HB2 . 25229 1 315 . 1 1 31 31 LEU HB3 H 1 1.997 0.020 . 2 . . . A 31 LEU HB3 . 25229 1 316 . 1 1 31 31 LEU HG H 1 2.127 0.020 . 1 . . . A 31 LEU HG . 25229 1 317 . 1 1 31 31 LEU HD11 H 1 1.038 0.020 . 2 . . . A 31 LEU HD11 . 25229 1 318 . 1 1 31 31 LEU HD12 H 1 1.038 0.020 . 2 . . . A 31 LEU HD12 . 25229 1 319 . 1 1 31 31 LEU HD13 H 1 1.038 0.020 . 2 . . . A 31 LEU HD13 . 25229 1 320 . 1 1 31 31 LEU HD21 H 1 1.273 0.020 . 2 . . . A 31 LEU HD21 . 25229 1 321 . 1 1 31 31 LEU HD22 H 1 1.273 0.020 . 2 . . . A 31 LEU HD22 . 25229 1 322 . 1 1 31 31 LEU HD23 H 1 1.273 0.020 . 2 . . . A 31 LEU HD23 . 25229 1 323 . 1 1 31 31 LEU CA C 13 58.555 0.400 . 1 . . . A 31 LEU CA . 25229 1 324 . 1 1 31 31 LEU CB C 13 41.548 0.400 . 1 . . . A 31 LEU CB . 25229 1 325 . 1 1 31 31 LEU CG C 13 27.462 0.400 . 1 . . . A 31 LEU CG . 25229 1 326 . 1 1 31 31 LEU CD1 C 13 26.082 0.400 . 1 . . . A 31 LEU CD1 . 25229 1 327 . 1 1 31 31 LEU CD2 C 13 24.325 0.400 . 1 . . . A 31 LEU CD2 . 25229 1 328 . 1 1 31 31 LEU N N 15 119.378 0.400 . 1 . . . A 31 LEU N . 25229 1 329 . 1 1 32 32 ALA H H 1 7.889 0.020 . 1 . . . A 32 ALA H . 25229 1 330 . 1 1 32 32 ALA HA H 1 4.104 0.020 . 1 . . . A 32 ALA HA . 25229 1 331 . 1 1 32 32 ALA HB1 H 1 1.505 0.020 . 1 . . . A 32 ALA HB1 . 25229 1 332 . 1 1 32 32 ALA HB2 H 1 1.505 0.020 . 1 . . . A 32 ALA HB2 . 25229 1 333 . 1 1 32 32 ALA HB3 H 1 1.505 0.020 . 1 . . . A 32 ALA HB3 . 25229 1 334 . 1 1 32 32 ALA CA C 13 54.722 0.400 . 1 . . . A 32 ALA CA . 25229 1 335 . 1 1 32 32 ALA CB C 13 18.258 0.400 . 1 . . . A 32 ALA CB . 25229 1 336 . 1 1 32 32 ALA N N 15 118.429 0.400 . 1 . . . A 32 ALA N . 25229 1 337 . 1 1 33 33 GLN H H 1 7.391 0.020 . 1 . . . A 33 GLN H . 25229 1 338 . 1 1 33 33 GLN HA H 1 4.204 0.020 . 1 . . . A 33 GLN HA . 25229 1 339 . 1 1 33 33 GLN HB2 H 1 2.102 0.020 . 1 . . . A 33 GLN HB2 . 25229 1 340 . 1 1 33 33 GLN HB3 H 1 2.102 0.020 . 1 . . . A 33 GLN HB3 . 25229 1 341 . 1 1 33 33 GLN HG2 H 1 2.337 0.020 . 2 . . . A 33 GLN HG2 . 25229 1 342 . 1 1 33 33 GLN HG3 H 1 2.452 0.020 . 2 . . . A 33 GLN HG3 . 25229 1 343 . 1 1 33 33 GLN CA C 13 57.351 0.400 . 1 . . . A 33 GLN CA . 25229 1 344 . 1 1 33 33 GLN CB C 13 29.017 0.400 . 1 . . . A 33 GLN CB . 25229 1 345 . 1 1 33 33 GLN CG C 13 33.753 0.400 . 1 . . . A 33 GLN CG . 25229 1 346 . 1 1 33 33 GLN N N 15 117.277 0.400 . 1 . . . A 33 GLN N . 25229 1 347 . 1 1 34 34 CYS H H 1 8.167 0.020 . 1 . . . A 34 CYS H . 25229 1 348 . 1 1 34 34 CYS HA H 1 3.901 0.020 . 1 . . . A 34 CYS HA . 25229 1 349 . 1 1 34 34 CYS HB2 H 1 2.431 0.020 . 2 . . . A 34 CYS HB2 . 25229 1 350 . 1 1 34 34 CYS HB3 H 1 2.826 0.020 . 2 . . . A 34 CYS HB3 . 25229 1 351 . 1 1 34 34 CYS CA C 13 64.265 0.400 . 1 . . . A 34 CYS CA . 25229 1 352 . 1 1 34 34 CYS CB C 13 28.501 0.400 . 1 . . . A 34 CYS CB . 25229 1 353 . 1 1 34 34 CYS N N 15 122.933 0.400 . 1 . . . A 34 CYS N . 25229 1 354 . 1 1 35 35 LEU H H 1 8.225 0.020 . 1 . . . A 35 LEU H . 25229 1 355 . 1 1 35 35 LEU HA H 1 4.207 0.020 . 1 . . . A 35 LEU HA . 25229 1 356 . 1 1 35 35 LEU HB2 H 1 1.694 0.020 . 1 . . . A 35 LEU HB2 . 25229 1 357 . 1 1 35 35 LEU HB3 H 1 1.694 0.020 . 1 . . . A 35 LEU HB3 . 25229 1 358 . 1 1 35 35 LEU HG H 1 1.661 0.020 . 1 . . . A 35 LEU HG . 25229 1 359 . 1 1 35 35 LEU HD11 H 1 0.920 0.020 . 2 . . . A 35 LEU HD11 . 25229 1 360 . 1 1 35 35 LEU HD12 H 1 0.920 0.020 . 2 . . . A 35 LEU HD12 . 25229 1 361 . 1 1 35 35 LEU HD13 H 1 0.920 0.020 . 2 . . . A 35 LEU HD13 . 25229 1 362 . 1 1 35 35 LEU HD21 H 1 0.923 0.020 . 2 . . . A 35 LEU HD21 . 25229 1 363 . 1 1 35 35 LEU HD22 H 1 0.923 0.020 . 2 . . . A 35 LEU HD22 . 25229 1 364 . 1 1 35 35 LEU HD23 H 1 0.923 0.020 . 2 . . . A 35 LEU HD23 . 25229 1 365 . 1 1 35 35 LEU CA C 13 56.760 0.400 . 1 . . . A 35 LEU CA . 25229 1 366 . 1 1 35 35 LEU CB C 13 42.071 0.400 . 1 . . . A 35 LEU CB . 25229 1 367 . 1 1 35 35 LEU CG C 13 27.152 0.400 . 1 . . . A 35 LEU CG . 25229 1 368 . 1 1 35 35 LEU CD1 C 13 24.457 0.400 . 1 . . . A 35 LEU CD1 . 25229 1 369 . 1 1 35 35 LEU CD2 C 13 24.424 0.400 . 1 . . . A 35 LEU CD2 . 25229 1 370 . 1 1 35 35 LEU N N 15 120.457 0.400 . 1 . . . A 35 LEU N . 25229 1 371 . 1 1 36 36 ALA H H 1 7.641 0.020 . 1 . . . A 36 ALA H . 25229 1 372 . 1 1 36 36 ALA HA H 1 4.200 0.020 . 1 . . . A 36 ALA HA . 25229 1 373 . 1 1 36 36 ALA HB1 H 1 1.467 0.020 . 1 . . . A 36 ALA HB1 . 25229 1 374 . 1 1 36 36 ALA HB2 H 1 1.467 0.020 . 1 . . . A 36 ALA HB2 . 25229 1 375 . 1 1 36 36 ALA HB3 H 1 1.467 0.020 . 1 . . . A 36 ALA HB3 . 25229 1 376 . 1 1 36 36 ALA CA C 13 53.767 0.400 . 1 . . . A 36 ALA CA . 25229 1 377 . 1 1 36 36 ALA CB C 13 18.605 0.400 . 1 . . . A 36 ALA CB . 25229 1 378 . 1 1 36 36 ALA N N 15 122.336 0.400 . 1 . . . A 36 ALA N . 25229 1 379 . 1 1 37 37 GLU H H 1 8.057 0.020 . 1 . . . A 37 GLU H . 25229 1 380 . 1 1 37 37 GLU HA H 1 4.272 0.020 . 1 . . . A 37 GLU HA . 25229 1 381 . 1 1 37 37 GLU HB2 H 1 2.033 0.020 . 2 . . . A 37 GLU HB2 . 25229 1 382 . 1 1 37 37 GLU HB3 H 1 2.139 0.020 . 2 . . . A 37 GLU HB3 . 25229 1 383 . 1 1 37 37 GLU HG2 H 1 2.288 0.020 . 2 . . . A 37 GLU HG2 . 25229 1 384 . 1 1 37 37 GLU HG3 H 1 2.412 0.020 . 2 . . . A 37 GLU HG3 . 25229 1 385 . 1 1 37 37 GLU CA C 13 56.975 0.400 . 1 . . . A 37 GLU CA . 25229 1 386 . 1 1 37 37 GLU CB C 13 30.326 0.400 . 1 . . . A 37 GLU CB . 25229 1 387 . 1 1 37 37 GLU CG C 13 36.396 0.400 . 1 . . . A 37 GLU CG . 25229 1 388 . 1 1 37 37 GLU N N 15 117.925 0.400 . 1 . . . A 37 GLU N . 25229 1 389 . 1 1 38 38 SER H H 1 8.077 0.020 . 1 . . . A 38 SER H . 25229 1 390 . 1 1 38 38 SER HA H 1 4.538 0.020 . 1 . . . A 38 SER HA . 25229 1 391 . 1 1 38 38 SER HB2 H 1 3.974 0.020 . 1 . . . A 38 SER HB2 . 25229 1 392 . 1 1 38 38 SER HB3 H 1 3.974 0.020 . 1 . . . A 38 SER HB3 . 25229 1 393 . 1 1 38 38 SER CA C 13 58.600 0.400 . 1 . . . A 38 SER CA . 25229 1 394 . 1 1 38 38 SER CB C 13 63.892 0.400 . 1 . . . A 38 SER CB . 25229 1 395 . 1 1 38 38 SER N N 15 115.753 0.400 . 1 . . . A 38 SER N . 25229 1 396 . 1 1 39 39 THR H H 1 8.136 0.020 . 1 . . . A 39 THR H . 25229 1 397 . 1 1 39 39 THR HA H 1 4.428 0.020 . 1 . . . A 39 THR HA . 25229 1 398 . 1 1 39 39 THR HB H 1 4.320 0.020 . 1 . . . A 39 THR HB . 25229 1 399 . 1 1 39 39 THR HG21 H 1 1.232 0.020 . 1 . . . A 39 THR HG21 . 25229 1 400 . 1 1 39 39 THR HG22 H 1 1.232 0.020 . 1 . . . A 39 THR HG22 . 25229 1 401 . 1 1 39 39 THR HG23 H 1 1.232 0.020 . 1 . . . A 39 THR HG23 . 25229 1 402 . 1 1 39 39 THR CA C 13 61.816 0.400 . 1 . . . A 39 THR CA . 25229 1 403 . 1 1 39 39 THR CB C 13 69.710 0.400 . 1 . . . A 39 THR CB . 25229 1 404 . 1 1 39 39 THR CG2 C 13 21.469 0.400 . 1 . . . A 39 THR CG2 . 25229 1 405 . 1 1 39 39 THR N N 15 115.550 0.400 . 1 . . . A 39 THR N . 25229 1 406 . 1 1 40 40 GLU H H 1 8.265 0.020 . 1 . . . A 40 GLU H . 25229 1 407 . 1 1 40 40 GLU HA H 1 4.317 0.020 . 1 . . . A 40 GLU HA . 25229 1 408 . 1 1 40 40 GLU HB2 H 1 1.929 0.020 . 2 . . . A 40 GLU HB2 . 25229 1 409 . 1 1 40 40 GLU HB3 H 1 2.061 0.020 . 2 . . . A 40 GLU HB3 . 25229 1 410 . 1 1 40 40 GLU HG2 H 1 2.272 0.020 . 1 . . . A 40 GLU HG2 . 25229 1 411 . 1 1 40 40 GLU HG3 H 1 2.272 0.020 . 1 . . . A 40 GLU HG3 . 25229 1 412 . 1 1 40 40 GLU CA C 13 56.435 0.400 . 1 . . . A 40 GLU CA . 25229 1 413 . 1 1 40 40 GLU CB C 13 30.509 0.400 . 1 . . . A 40 GLU CB . 25229 1 414 . 1 1 40 40 GLU CG C 13 36.129 0.400 . 1 . . . A 40 GLU CG . 25229 1 415 . 1 1 40 40 GLU N N 15 122.776 0.400 . 1 . . . A 40 GLU N . 25229 1 416 . 1 1 41 41 ASP H H 1 8.390 0.020 . 1 . . . A 41 ASP H . 25229 1 417 . 1 1 41 41 ASP HA H 1 4.587 0.020 . 1 . . . A 41 ASP HA . 25229 1 418 . 1 1 41 41 ASP HB2 H 1 2.551 0.020 . 2 . . . A 41 ASP HB2 . 25229 1 419 . 1 1 41 41 ASP HB3 H 1 2.664 0.020 . 2 . . . A 41 ASP HB3 . 25229 1 420 . 1 1 41 41 ASP CA C 13 54.232 0.400 . 1 . . . A 41 ASP CA . 25229 1 421 . 1 1 41 41 ASP CB C 13 41.015 0.400 . 1 . . . A 41 ASP CB . 25229 1 422 . 1 1 41 41 ASP N N 15 121.819 0.400 . 1 . . . A 41 ASP N . 25229 1 423 . 1 1 42 42 VAL H H 1 7.996 0.020 . 1 . . . A 42 VAL H . 25229 1 424 . 1 1 42 42 VAL HA H 1 3.991 0.020 . 1 . . . A 42 VAL HA . 25229 1 425 . 1 1 42 42 VAL HB H 1 1.876 0.020 . 1 . . . A 42 VAL HB . 25229 1 426 . 1 1 42 42 VAL HG11 H 1 0.651 0.020 . 2 . . . A 42 VAL HG11 . 25229 1 427 . 1 1 42 42 VAL HG12 H 1 0.651 0.020 . 2 . . . A 42 VAL HG12 . 25229 1 428 . 1 1 42 42 VAL HG13 H 1 0.651 0.020 . 2 . . . A 42 VAL HG13 . 25229 1 429 . 1 1 42 42 VAL HG21 H 1 0.795 0.020 . 2 . . . A 42 VAL HG21 . 25229 1 430 . 1 1 42 42 VAL HG22 H 1 0.795 0.020 . 2 . . . A 42 VAL HG22 . 25229 1 431 . 1 1 42 42 VAL HG23 H 1 0.795 0.020 . 2 . . . A 42 VAL HG23 . 25229 1 432 . 1 1 42 42 VAL CA C 13 62.013 0.400 . 1 . . . A 42 VAL CA . 25229 1 433 . 1 1 42 42 VAL CB C 13 32.773 0.400 . 1 . . . A 42 VAL CB . 25229 1 434 . 1 1 42 42 VAL CG1 C 13 20.914 0.400 . 1 . . . A 42 VAL CG1 . 25229 1 435 . 1 1 42 42 VAL CG2 C 13 20.159 0.400 . 1 . . . A 42 VAL CG2 . 25229 1 436 . 1 1 42 42 VAL N N 15 120.623 0.400 . 1 . . . A 42 VAL N . 25229 1 437 . 1 1 43 43 THR H H 1 7.915 0.020 . 1 . . . A 43 THR H . 25229 1 438 . 1 1 43 43 THR HA H 1 4.307 0.020 . 1 . . . A 43 THR HA . 25229 1 439 . 1 1 43 43 THR HB H 1 4.164 0.020 . 1 . . . A 43 THR HB . 25229 1 440 . 1 1 43 43 THR HG21 H 1 1.121 0.020 . 1 . . . A 43 THR HG21 . 25229 1 441 . 1 1 43 43 THR HG22 H 1 1.121 0.020 . 1 . . . A 43 THR HG22 . 25229 1 442 . 1 1 43 43 THR HG23 H 1 1.121 0.020 . 1 . . . A 43 THR HG23 . 25229 1 443 . 1 1 43 43 THR CA C 13 61.280 0.400 . 1 . . . A 43 THR CA . 25229 1 444 . 1 1 43 43 THR CB C 13 69.858 0.400 . 1 . . . A 43 THR CB . 25229 1 445 . 1 1 43 43 THR CG2 C 13 21.293 0.400 . 1 . . . A 43 THR CG2 . 25229 1 446 . 1 1 43 43 THR N N 15 117.870 0.400 . 1 . . . A 43 THR N . 25229 1 447 . 1 1 44 44 TRP H H 1 7.620 0.020 . 1 . . . A 44 TRP H . 25229 1 448 . 1 1 44 44 TRP HA H 1 4.543 0.020 . 1 . . . A 44 TRP HA . 25229 1 449 . 1 1 44 44 TRP HB2 H 1 3.171 0.020 . 2 . . . A 44 TRP HB2 . 25229 1 450 . 1 1 44 44 TRP HB3 H 1 3.327 0.020 . 2 . . . A 44 TRP HB3 . 25229 1 451 . 1 1 44 44 TRP HD1 H 1 7.202 0.020 . 1 . . . A 44 TRP HD1 . 25229 1 452 . 1 1 44 44 TRP HE1 H 1 10.080 0.020 . 1 . . . A 44 TRP HE1 . 25229 1 453 . 1 1 44 44 TRP HE3 H 1 7.670 0.020 . 1 . . . A 44 TRP HE3 . 25229 1 454 . 1 1 44 44 TRP HZ2 H 1 7.489 0.020 . 1 . . . A 44 TRP HZ2 . 25229 1 455 . 1 1 44 44 TRP HZ3 H 1 7.153 0.020 . 1 . . . A 44 TRP HZ3 . 25229 1 456 . 1 1 44 44 TRP HH2 H 1 7.215 0.020 . 1 . . . A 44 TRP HH2 . 25229 1 457 . 1 1 44 44 TRP CA C 13 58.413 0.400 . 1 . . . A 44 TRP CA . 25229 1 458 . 1 1 44 44 TRP CB C 13 30.215 0.400 . 1 . . . A 44 TRP CB . 25229 1 459 . 1 1 44 44 TRP CD1 C 13 126.822 0.400 . 1 . . . A 44 TRP CD1 . 25229 1 460 . 1 1 44 44 TRP CE3 C 13 121.226 0.400 . 1 . . . A 44 TRP CE3 . 25229 1 461 . 1 1 44 44 TRP CZ2 C 13 114.771 0.400 . 1 . . . A 44 TRP CZ2 . 25229 1 462 . 1 1 44 44 TRP CZ3 C 13 121.767 0.400 . 1 . . . A 44 TRP CZ3 . 25229 1 463 . 1 1 44 44 TRP CH2 C 13 124.389 0.400 . 1 . . . A 44 TRP CH2 . 25229 1 464 . 1 1 44 44 TRP N N 15 128.689 0.400 . 1 . . . A 44 TRP N . 25229 1 465 . 1 1 44 44 TRP NE1 N 15 129.000 0.400 . 1 . . . A 44 TRP NE1 . 25229 1 stop_ save_