data_7365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7365 _Entry.Title ; Solution structure of Fe65 WW domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-19 _Entry.Accession_date 2007-01-23 _Entry.Last_release_date 2009-10-15 _Entry.Original_release_date 2009-10-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.59 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Kouno T. . . 7365 2 M. Mizuguchi M. . . 7365 3 Y. Nozawa Y. . . 7365 4 T. Sugaya T. . . 7365 5 K. Kawano K. . . 7365 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 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' RSGI 7365 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'National Project on Protein Structural and Functional Analyses' 'National Project on Protein Structural and Functional Analyses' 7365 NPPSFA NPPSFA 7365 'RIKEN Structural Genomics/Proteomics Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' 7365 RSGI RSGI 7365 'Structural Genomics' 'Structural Genomics' 7365 'triple-stranded beta-sheet' 'triple-stranded beta-sheet' 7365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 131 7365 '15N chemical shifts' 50 7365 '1H chemical shifts' 313 7365 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 1 . . 2009-10-15 2007-01-19 original author . 7365 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E45 'BMRB Entry Tracking System' 7365 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Fe65 WW domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Kouno T. . . 7365 1 2 M. Mizuguchi M. . . 7365 1 3 Y. Nozawa Y. . . 7365 1 4 T. Sugaya T. . . 7365 1 5 K. Kawano K. . . 7365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7365 _Assembly.ID 1 _Assembly.Name 'WW domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'WW domain' 1 $Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 A . yes native no no . . . 7365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 _Entity.Sf_category entity _Entity.Sf_framecode Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 _Entity.Entry_ID 7365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 _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 ; GPLGSDSFWNPNAFETDSDL PAGWMRVQDTSGTYYWHIPT GTTQWEPPGRASPSQ ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'WW domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2E45 . "Solution Structure Of Fe65 Ww Domain" . . . . . 100.00 55 100.00 100.00 4.15e-31 . . . . 7365 1 2 no PDB 2HO2 . "Structure Of Human Fe65-Ww Domain In Complex With Hmena Peptide." . . . . . 67.27 38 100.00 100.00 3.64e-17 . . . . 7365 1 3 no PDB 2IDH . "Crystal Structure Of Human Fe65 Ww Domain" . . . . . 67.27 38 100.00 100.00 3.64e-17 . . . . 7365 1 4 no PDB 2OEI . "Crystal Structure Of Human Fe65-Ww Domain In Complex With Human Mena Peptide" . . . . . 67.27 38 100.00 100.00 3.64e-17 . . . . 7365 1 5 no DBJ BAH11531 . "unnamed protein product [Homo sapiens]" . . . . . 56.36 451 100.00 100.00 3.71e-12 . . . . 7365 1 6 no DBJ BAH11532 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 475 100.00 100.00 5.23e-27 . . . . 7365 1 7 no DBJ BAH11554 . "unnamed protein product [Homo sapiens]" . . . . . 56.36 451 100.00 100.00 3.71e-12 . . . . 7365 1 8 no DBJ BAH11576 . "unnamed protein product [Homo sapiens]" . . . . . 67.27 412 100.00 100.00 7.59e-18 . . . . 7365 1 9 no DBJ BAH11788 . "unnamed protein product [Homo sapiens]" . . . . . 56.36 264 100.00 100.00 2.22e-12 . . . . 7365 1 10 no EMBL CAA42998 . "integrase-like protein, APP interacting protein [Rattus rattus]" . . . . . 89.09 288 100.00 100.00 1.78e-26 . . . . 7365 1 11 no EMBL CAD98057 . "hypothetical protein [Homo sapiens]" . . . . . 92.73 502 98.04 100.00 5.07e-27 . . . . 7365 1 12 no GB AAK18816 . "amyloid beta precursor B1 [Bos taurus]" . . . . . 89.09 94 100.00 100.00 1.41e-26 . . . . 7365 1 13 no GB ABL07489 . "amyloid beta A4 precursor protein-binding family B member 1 transcript variant 3 [Homo sapiens]" . . . . . 56.36 451 100.00 100.00 3.71e-12 . . . . 7365 1 14 no GB EPY80480 . "amyloid beta A4 precursor protein-binding family B member 1 [Camelus ferus]" . . . . . 92.73 660 98.04 100.00 1.85e-26 . . . . 7365 1 15 no GB KFO24725 . "Amyloid beta A4 precursor protein-binding family B member 1 [Fukomys damarensis]" . . . . . 90.91 856 100.00 100.00 2.84e-26 . . . . 7365 1 16 no REF NP_001240816 . "amyloid beta A4 precursor protein-binding family B member 1 isoform 3 [Mus musculus]" . . . . . 56.36 451 100.00 100.00 2.99e-12 . . . . 7365 1 17 no REF NP_001244248 . "amyloid beta A4 precursor protein-binding family B member 1 isoform g [Homo sapiens]" . . . . . 92.73 490 98.04 100.00 3.35e-27 . . . . 7365 1 18 no REF NP_001244249 . "amyloid beta A4 precursor protein-binding family B member 1 isoform d [Homo sapiens]" . . . . . 56.36 451 100.00 100.00 3.71e-12 . . . . 7365 1 19 no REF NP_001244250 . "amyloid beta A4 precursor protein-binding family B member 1 isoform d [Homo sapiens]" . . . . . 56.36 451 100.00 100.00 3.71e-12 . . . . 7365 1 20 no REF NP_001244252 . "amyloid beta A4 precursor protein-binding family B member 1 isoform f [Homo sapiens]" . . . . . 92.73 488 98.04 100.00 3.50e-27 . . . . 7365 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alternative splicing' SWS-KEYWORD 7365 1 'Amyloid beta A4 precursor protein-binding family B member 1' RCSB_NAME 7365 1 'Fe65 protein' SWS-SYNONYM 7365 1 Polymorphism SWS-KEYWORD 7365 1 Repeat SWS-KEYWORD 7365 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 7365 1 2 . PRO . 7365 1 3 . LEU . 7365 1 4 . GLY . 7365 1 5 . SER . 7365 1 6 . ASP . 7365 1 7 . SER . 7365 1 8 . PHE . 7365 1 9 . TRP . 7365 1 10 . ASN . 7365 1 11 . PRO . 7365 1 12 . ASN . 7365 1 13 . ALA . 7365 1 14 . PHE . 7365 1 15 . GLU . 7365 1 16 . THR . 7365 1 17 . ASP . 7365 1 18 . SER . 7365 1 19 . ASP . 7365 1 20 . LEU . 7365 1 21 . PRO . 7365 1 22 . ALA . 7365 1 23 . GLY . 7365 1 24 . TRP . 7365 1 25 . MET . 7365 1 26 . ARG . 7365 1 27 . VAL . 7365 1 28 . GLN . 7365 1 29 . ASP . 7365 1 30 . THR . 7365 1 31 . SER . 7365 1 32 . GLY . 7365 1 33 . THR . 7365 1 34 . TYR . 7365 1 35 . TYR . 7365 1 36 . TRP . 7365 1 37 . HIS . 7365 1 38 . ILE . 7365 1 39 . PRO . 7365 1 40 . THR . 7365 1 41 . GLY . 7365 1 42 . THR . 7365 1 43 . THR . 7365 1 44 . GLN . 7365 1 45 . TRP . 7365 1 46 . GLU . 7365 1 47 . PRO . 7365 1 48 . PRO . 7365 1 49 . GLY . 7365 1 50 . ARG . 7365 1 51 . ALA . 7365 1 52 . SER . 7365 1 53 . PRO . 7365 1 54 . SER . 7365 1 55 . GLN . 7365 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7365 1 . PRO 2 2 7365 1 . LEU 3 3 7365 1 . GLY 4 4 7365 1 . SER 5 5 7365 1 . ASP 6 6 7365 1 . SER 7 7 7365 1 . PHE 8 8 7365 1 . TRP 9 9 7365 1 . ASN 10 10 7365 1 . PRO 11 11 7365 1 . ASN 12 12 7365 1 . ALA 13 13 7365 1 . PHE 14 14 7365 1 . GLU 15 15 7365 1 . THR 16 16 7365 1 . ASP 17 17 7365 1 . SER 18 18 7365 1 . ASP 19 19 7365 1 . LEU 20 20 7365 1 . PRO 21 21 7365 1 . ALA 22 22 7365 1 . GLY 23 23 7365 1 . TRP 24 24 7365 1 . MET 25 25 7365 1 . ARG 26 26 7365 1 . VAL 27 27 7365 1 . GLN 28 28 7365 1 . ASP 29 29 7365 1 . THR 30 30 7365 1 . SER 31 31 7365 1 . GLY 32 32 7365 1 . THR 33 33 7365 1 . TYR 34 34 7365 1 . TYR 35 35 7365 1 . TRP 36 36 7365 1 . HIS 37 37 7365 1 . ILE 38 38 7365 1 . PRO 39 39 7365 1 . THR 40 40 7365 1 . GLY 41 41 7365 1 . THR 42 42 7365 1 . THR 43 43 7365 1 . GLN 44 44 7365 1 . TRP 45 45 7365 1 . GLU 46 46 7365 1 . PRO 47 47 7365 1 . PRO 48 48 7365 1 . GLY 49 49 7365 1 . ARG 50 50 7365 1 . ALA 51 51 7365 1 . SER 52 52 7365 1 . PRO 53 53 7365 1 . SER 54 54 7365 1 . GLN 55 55 7365 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 7365 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7365 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 7365 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . RI . . . . . . . . 7365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7365 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 90% H2O, 10% D2O' _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 'WW domain' '[U-13C; U-15N]' . . 1 $Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 . . 0.65 . . mM . . . . 7365 1 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 7365 1 3 D2O . . . . . . . 10 . . % . . . . 7365 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 7365 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7365 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.65mM Fe65 WW domain U-15N, 13C; 10mM phosphate buffer NA; 100% D2O' _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 'WW domain' '[U-13C; U-15N]' . . 1 $Amyloid_beta_A4_precursor_protein-binding_family_B_member_1 . . 0.65 . . mM . . . . 7365 2 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 7365 2 3 D2O . . . . . . . 100 . . % . . . . 7365 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 7365 _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 pH 7.0 . pH 7365 1 pressure 1 . atm 7365 1 temperature 298 . K 7365 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7365 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio, et al.' . . 7365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7365 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 7365 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'D.S. Garret' . . 7365 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7365 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7365 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.1f _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.T. Brunger' . . 7365 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7365 3 stop_ save_ save_X-PLOR_2 _Software.Sf_category software _Software.Sf_framecode X-PLOR_2 _Software.Entry_ID 7365 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.1f _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.T. Brunger' . . 7365 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7365 4 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 7365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 7365 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 7365 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 7365 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7365 1 2 HNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7365 1 3 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7365 1 4 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7365 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 7365 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 7365 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 7365 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 7365 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 7365 _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 3D_15N-separated_NOESY . . . 7365 1 2 HNHA . . . 7365 1 3 3D_13C-separated_NOESY . . . 7365 1 4 '2D NOESY' . . . 7365 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 6 6 ASP H H 1 8.43 0.11 . 1 . . . . 1 ASP H . 7365 1 2 . 1 1 6 6 ASP HA H 1 4.62 0.11 . 1 . . . . 1 ASP HA . 7365 1 3 . 1 1 6 6 ASP HB2 H 1 2.66 0.11 . 1 . . . . 1 ASP HB2 . 7365 1 4 . 1 1 6 6 ASP HB3 H 1 2.71 0.11 . 1 . . . . 1 ASP HB3 . 7365 1 5 . 1 1 6 6 ASP CA C 13 54.50 0.81 . 1 . . . . 1 ASP CA . 7365 1 6 . 1 1 6 6 ASP CB C 13 41.18 0.81 . 1 . . . . 1 ASP CB . 7365 1 7 . 1 1 6 6 ASP N N 15 122.08 0.60 . 1 . . . . 1 ASP N . 7365 1 8 . 1 1 7 7 SER H H 1 8.11 0.11 . 1 . . . . 2 SER H . 7365 1 9 . 1 1 7 7 SER HA H 1 4.36 0.11 . 1 . . . . 2 SER HA . 7365 1 10 . 1 1 7 7 SER HB2 H 1 3.75 0.11 . 2 . . . . 2 SER HB2 . 7365 1 11 . 1 1 7 7 SER HB3 H 1 3.75 0.11 . 2 . . . . 2 SER HB3 . 7365 1 12 . 1 1 7 7 SER CA C 13 58.69 0.81 . 1 . . . . 2 SER CA . 7365 1 13 . 1 1 7 7 SER CB C 13 63.74 0.81 . 1 . . . . 2 SER CB . 7365 1 14 . 1 1 7 7 SER N N 15 115.53 0.60 . 1 . . . . 2 SER N . 7365 1 15 . 1 1 8 8 PHE H H 1 8.10 0.11 . 1 . . . . 3 PHE H . 7365 1 16 . 1 1 8 8 PHE HA H 1 4.58 0.11 . 1 . . . . 3 PHE HA . 7365 1 17 . 1 1 8 8 PHE HB2 H 1 3.02 0.11 . 2 . . . . 3 PHE HB2 . 7365 1 18 . 1 1 8 8 PHE HB3 H 1 3.02 0.11 . 2 . . . . 3 PHE HB3 . 7365 1 19 . 1 1 8 8 PHE HD1 H 1 7.10 0.11 . 3 . . . . 3 PHE HD1 . 7365 1 20 . 1 1 8 8 PHE HD2 H 1 7.10 0.11 . 3 . . . . 3 PHE HD2 . 7365 1 21 . 1 1 8 8 PHE CA C 13 57.94 0.81 . 1 . . . . 3 PHE CA . 7365 1 22 . 1 1 8 8 PHE CB C 13 39.44 0.81 . 1 . . . . 3 PHE CB . 7365 1 23 . 1 1 8 8 PHE N N 15 121.69 0.60 . 1 . . . . 3 PHE N . 7365 1 24 . 1 1 9 9 TRP H H 1 7.96 0.11 . 1 . . . . 4 TRP H . 7365 1 25 . 1 1 9 9 TRP HA H 1 4.58 0.11 . 1 . . . . 4 TRP HA . 7365 1 26 . 1 1 9 9 TRP HB2 H 1 3.17 0.11 . 2 . . . . 4 TRP HB2 . 7365 1 27 . 1 1 9 9 TRP HB3 H 1 3.17 0.11 . 2 . . . . 4 TRP HB3 . 7365 1 28 . 1 1 9 9 TRP HD1 H 1 7.15 0.11 . 1 . . . . 4 TRP HD1 . 7365 1 29 . 1 1 9 9 TRP HE3 H 1 7.51 0.11 . 1 . . . . 4 TRP HE3 . 7365 1 30 . 1 1 9 9 TRP HH2 H 1 7.15 0.11 . 1 . . . . 4 TRP HH2 . 7365 1 31 . 1 1 9 9 TRP HZ2 H 1 7.41 0.11 . 1 . . . . 4 TRP HZ2 . 7365 1 32 . 1 1 9 9 TRP HZ3 H 1 7.06 0.11 . 1 . . . . 4 TRP HZ3 . 7365 1 33 . 1 1 9 9 TRP CA C 13 57.32 0.81 . 1 . . . . 4 TRP CA . 7365 1 34 . 1 1 9 9 TRP CB C 13 29.74 0.81 . 1 . . . . 4 TRP CB . 7365 1 35 . 1 1 9 9 TRP N N 15 122.75 0.60 . 1 . . . . 4 TRP N . 7365 1 36 . 1 1 10 10 ASN H H 1 7.96 0.11 . 1 . . . . 5 ASN H . 7365 1 37 . 1 1 10 10 ASN HA H 1 4.77 0.11 . 1 . . . . 5 ASN HA . 7365 1 38 . 1 1 10 10 ASN HB2 H 1 2.47 0.11 . 1 . . . . 5 ASN HB2 . 7365 1 39 . 1 1 10 10 ASN HB3 H 1 2.72 0.11 . 1 . . . . 5 ASN HB3 . 7365 1 40 . 1 1 10 10 ASN HD21 H 1 6.96 0.11 . 1 . . . . 5 ASN HD21 . 7365 1 41 . 1 1 10 10 ASN HD22 H 1 7.57 0.11 . 1 . . . . 5 ASN HD22 . 7365 1 42 . 1 1 10 10 ASN CA C 13 50.52 0.81 . 1 . . . . 5 ASN CA . 7365 1 43 . 1 1 10 10 ASN CB C 13 39.57 0.81 . 1 . . . . 5 ASN CB . 7365 1 44 . 1 1 10 10 ASN N N 15 122.60 0.60 . 1 . . . . 5 ASN N . 7365 1 45 . 1 1 10 10 ASN ND2 N 15 112.54 0.60 . 1 . . . . 5 ASN ND2 . 7365 1 46 . 1 1 11 11 PRO HA H 1 4.09 0.11 . 1 . . . . 6 PRO HA . 7365 1 47 . 1 1 11 11 PRO HB2 H 1 1.88 0.11 . 1 . . . . 6 PRO HB2 . 7365 1 48 . 1 1 11 11 PRO HB3 H 1 2.14 0.11 . 1 . . . . 6 PRO HB3 . 7365 1 49 . 1 1 11 11 PRO HD2 H 1 3.60 0.11 . 1 . . . . 6 PRO HD2 . 7365 1 50 . 1 1 11 11 PRO HD3 H 1 3.27 0.11 . 1 . . . . 6 PRO HD3 . 7365 1 51 . 1 1 11 11 PRO HG2 H 1 1.82 0.11 . 2 . . . . 6 PRO HG2 . 7365 1 52 . 1 1 11 11 PRO HG3 H 1 1.82 0.11 . 2 . . . . 6 PRO HG3 . 7365 1 53 . 1 1 11 11 PRO CA C 13 63.66 0.81 . 1 . . . . 6 PRO CA . 7365 1 54 . 1 1 11 11 PRO CB C 13 32.16 0.81 . 1 . . . . 6 PRO CB . 7365 1 55 . 1 1 11 11 PRO CD C 13 50.81 0.81 . 1 . . . . 6 PRO CD . 7365 1 56 . 1 1 11 11 PRO CG C 13 26.94 0.81 . 1 . . . . 6 PRO CG . 7365 1 57 . 1 1 12 12 ASN H H 1 8.10 0.11 . 1 . . . . 7 ASN H . 7365 1 58 . 1 1 12 12 ASN HA H 1 4.64 0.11 . 1 . . . . 7 ASN HA . 7365 1 59 . 1 1 12 12 ASN HB2 H 1 2.66 0.11 . 1 . . . . 7 ASN HB2 . 7365 1 60 . 1 1 12 12 ASN HB3 H 1 2.77 0.11 . 1 . . . . 7 ASN HB3 . 7365 1 61 . 1 1 12 12 ASN HD21 H 1 6.95 0.11 . 1 . . . . 7 ASN HD21 . 7365 1 62 . 1 1 12 12 ASN HD22 H 1 7.63 0.11 . 1 . . . . 7 ASN HD22 . 7365 1 63 . 1 1 12 12 ASN CA C 13 53.33 0.81 . 1 . . . . 7 ASN CA . 7365 1 64 . 1 1 12 12 ASN CB C 13 38.91 0.81 . 1 . . . . 7 ASN CB . 7365 1 65 . 1 1 12 12 ASN N N 15 116.82 0.60 . 1 . . . . 7 ASN N . 7365 1 66 . 1 1 12 12 ASN ND2 N 15 113.34 0.60 . 1 . . . . 7 ASN ND2 . 7365 1 67 . 1 1 13 13 ALA H H 1 7.76 0.11 . 1 . . . . 8 ALA H . 7365 1 68 . 1 1 13 13 ALA HA H 1 4.19 0.11 . 1 . . . . 8 ALA HA . 7365 1 69 . 1 1 13 13 ALA HB1 H 1 1.25 0.11 . 1 . . . . 8 ALA HB . 7365 1 70 . 1 1 13 13 ALA HB2 H 1 1.25 0.11 . 1 . . . . 8 ALA HB . 7365 1 71 . 1 1 13 13 ALA HB3 H 1 1.25 0.11 . 1 . . . . 8 ALA HB . 7365 1 72 . 1 1 13 13 ALA CA C 13 52.84 0.81 . 1 . . . . 8 ALA CA . 7365 1 73 . 1 1 13 13 ALA CB C 13 19.24 0.81 . 1 . . . . 8 ALA CB . 7365 1 74 . 1 1 13 13 ALA N N 15 123.28 0.60 . 1 . . . . 8 ALA N . 7365 1 75 . 1 1 14 14 PHE H H 1 7.98 0.11 . 1 . . . . 9 PHE H . 7365 1 76 . 1 1 14 14 PHE HA H 1 4.68 0.11 . 1 . . . . 9 PHE HA . 7365 1 77 . 1 1 14 14 PHE HB2 H 1 3.01 0.11 . 1 . . . . 9 PHE HB2 . 7365 1 78 . 1 1 14 14 PHE HB3 H 1 3.18 0.11 . 1 . . . . 9 PHE HB3 . 7365 1 79 . 1 1 14 14 PHE HD1 H 1 7.22 0.11 . 3 . . . . 9 PHE HD1 . 7365 1 80 . 1 1 14 14 PHE HD2 H 1 7.22 0.11 . 3 . . . . 9 PHE HD2 . 7365 1 81 . 1 1 14 14 PHE CA C 13 57.31 0.81 . 1 . . . . 9 PHE CA . 7365 1 82 . 1 1 14 14 PHE CB C 13 39.79 0.81 . 1 . . . . 9 PHE CB . 7365 1 83 . 1 1 14 14 PHE N N 15 118.12 0.60 . 1 . . . . 9 PHE N . 7365 1 84 . 1 1 15 15 GLU H H 1 8.34 0.11 . 1 . . . . 10 GLU H . 7365 1 85 . 1 1 15 15 GLU HA H 1 4.41 0.11 . 1 . . . . 10 GLU HA . 7365 1 86 . 1 1 15 15 GLU HB2 H 1 1.94 0.11 . 1 . . . . 10 GLU HB2 . 7365 1 87 . 1 1 15 15 GLU HB3 H 1 2.05 0.11 . 1 . . . . 10 GLU HB3 . 7365 1 88 . 1 1 15 15 GLU HG2 H 1 2.25 0.11 . 2 . . . . 10 GLU HG2 . 7365 1 89 . 1 1 15 15 GLU HG3 H 1 2.25 0.11 . 2 . . . . 10 GLU HG3 . 7365 1 90 . 1 1 15 15 GLU CA C 13 56.55 0.81 . 1 . . . . 10 GLU CA . 7365 1 91 . 1 1 15 15 GLU CB C 13 30.75 0.81 . 1 . . . . 10 GLU CB . 7365 1 92 . 1 1 15 15 GLU CG C 13 36.29 0.81 . 1 . . . . 10 GLU CG . 7365 1 93 . 1 1 15 15 GLU N N 15 122.12 0.60 . 1 . . . . 10 GLU N . 7365 1 94 . 1 1 16 16 THR H H 1 8.23 0.11 . 1 . . . . 11 THR H . 7365 1 95 . 1 1 16 16 THR HA H 1 4.38 0.11 . 1 . . . . 11 THR HA . 7365 1 96 . 1 1 16 16 THR HB H 1 4.28 0.11 . 1 . . . . 11 THR HB . 7365 1 97 . 1 1 16 16 THR HG21 H 1 1.24 0.11 . 1 . . . . 11 THR HG2 . 7365 1 98 . 1 1 16 16 THR HG22 H 1 1.24 0.11 . 1 . . . . 11 THR HG2 . 7365 1 99 . 1 1 16 16 THR HG23 H 1 1.24 0.11 . 1 . . . . 11 THR HG2 . 7365 1 100 . 1 1 16 16 THR CA C 13 61.90 0.81 . 1 . . . . 11 THR CA . 7365 1 101 . 1 1 16 16 THR CB C 13 69.89 0.81 . 1 . . . . 11 THR CB . 7365 1 102 . 1 1 16 16 THR CG2 C 13 21.51 0.81 . 1 . . . . 11 THR CG2 . 7365 1 103 . 1 1 16 16 THR N N 15 114.83 0.60 . 1 . . . . 11 THR N . 7365 1 104 . 1 1 17 17 ASP H H 1 8.48 0.11 . 1 . . . . 12 ASP H . 7365 1 105 . 1 1 17 17 ASP HA H 1 4.71 0.11 . 1 . . . . 12 ASP HA . 7365 1 106 . 1 1 17 17 ASP HB2 H 1 2.75 0.11 . 1 . . . . 12 ASP HB2 . 7365 1 107 . 1 1 17 17 ASP HB3 H 1 2.84 0.11 . 1 . . . . 12 ASP HB3 . 7365 1 108 . 1 1 17 17 ASP CA C 13 54.65 0.81 . 1 . . . . 12 ASP CA . 7365 1 109 . 1 1 17 17 ASP CB C 13 41.48 0.81 . 1 . . . . 12 ASP CB . 7365 1 110 . 1 1 17 17 ASP N N 15 122.65 0.60 . 1 . . . . 12 ASP N . 7365 1 111 . 1 1 18 18 SER H H 1 8.33 0.11 . 1 . . . . 13 SER H . 7365 1 112 . 1 1 18 18 SER HA H 1 4.43 0.11 . 1 . . . . 13 SER HA . 7365 1 113 . 1 1 18 18 SER HB2 H 1 3.94 0.11 . 2 . . . . 13 SER HB2 . 7365 1 114 . 1 1 18 18 SER HB3 H 1 3.94 0.11 . 2 . . . . 13 SER HB3 . 7365 1 115 . 1 1 18 18 SER CA C 13 59.13 0.81 . 1 . . . . 13 SER CA . 7365 1 116 . 1 1 18 18 SER CB C 13 63.90 0.81 . 1 . . . . 13 SER CB . 7365 1 117 . 1 1 18 18 SER N N 15 116.28 0.60 . 1 . . . . 13 SER N . 7365 1 118 . 1 1 19 19 ASP H H 1 8.56 0.11 . 1 . . . . 14 ASP H . 7365 1 119 . 1 1 19 19 ASP HA H 1 4.63 0.11 . 1 . . . . 14 ASP HA . 7365 1 120 . 1 1 19 19 ASP HB2 H 1 2.71 0.11 . 2 . . . . 14 ASP HB2 . 7365 1 121 . 1 1 19 19 ASP HB3 H 1 2.71 0.11 . 2 . . . . 14 ASP HB3 . 7365 1 122 . 1 1 19 19 ASP CA C 13 54.30 0.81 . 1 . . . . 14 ASP CA . 7365 1 123 . 1 1 19 19 ASP CB C 13 40.82 0.81 . 1 . . . . 14 ASP CB . 7365 1 124 . 1 1 19 19 ASP N N 15 121.33 0.60 . 1 . . . . 14 ASP N . 7365 1 125 . 1 1 20 20 LEU H H 1 7.99 0.11 . 1 . . . . 15 LEU H . 7365 1 126 . 1 1 20 20 LEU HA H 1 4.63 0.11 . 1 . . . . 15 LEU HA . 7365 1 127 . 1 1 20 20 LEU HB2 H 1 1.85 0.11 . 1 . . . . 15 LEU HB2 . 7365 1 128 . 1 1 20 20 LEU HB3 H 1 1.43 0.11 . 1 . . . . 15 LEU HB3 . 7365 1 129 . 1 1 20 20 LEU HD11 H 1 0.82 0.11 . 2 . . . . 15 LEU HD1 . 7365 1 130 . 1 1 20 20 LEU HD12 H 1 0.82 0.11 . 2 . . . . 15 LEU HD1 . 7365 1 131 . 1 1 20 20 LEU HD13 H 1 0.82 0.11 . 2 . . . . 15 LEU HD1 . 7365 1 132 . 1 1 20 20 LEU HD21 H 1 0.82 0.11 . 2 . . . . 15 LEU HD2 . 7365 1 133 . 1 1 20 20 LEU HD22 H 1 0.82 0.11 . 2 . . . . 15 LEU HD2 . 7365 1 134 . 1 1 20 20 LEU HD23 H 1 0.82 0.11 . 2 . . . . 15 LEU HD2 . 7365 1 135 . 1 1 20 20 LEU HG H 1 1.07 0.11 . 1 . . . . 15 LEU HG . 7365 1 136 . 1 1 20 20 LEU CA C 13 52.64 0.81 . 1 . . . . 15 LEU CA . 7365 1 137 . 1 1 20 20 LEU CB C 13 42.53 0.81 . 1 . . . . 15 LEU CB . 7365 1 138 . 1 1 20 20 LEU CD1 C 13 23.69 0.81 . 2 . . . . 15 LEU CD1 . 7365 1 139 . 1 1 20 20 LEU CD2 C 13 23.69 0.81 . 2 . . . . 15 LEU CD2 . 7365 1 140 . 1 1 20 20 LEU CG C 13 26.40 0.81 . 1 . . . . 15 LEU CG . 7365 1 141 . 1 1 20 20 LEU N N 15 121.65 0.60 . 1 . . . . 15 LEU N . 7365 1 142 . 1 1 21 21 PRO HA H 1 4.57 0.11 . 1 . . . . 16 PRO HA . 7365 1 143 . 1 1 21 21 PRO HB2 H 1 2.09 0.11 . 1 . . . . 16 PRO HB2 . 7365 1 144 . 1 1 21 21 PRO HB3 H 1 2.52 0.11 . 1 . . . . 16 PRO HB3 . 7365 1 145 . 1 1 21 21 PRO HD2 H 1 3.02 0.11 . 1 . . . . 16 PRO HD2 . 7365 1 146 . 1 1 21 21 PRO HD3 H 1 3.69 0.11 . 1 . . . . 16 PRO HD3 . 7365 1 147 . 1 1 21 21 PRO HG2 H 1 1.74 0.11 . 2 . . . . 16 PRO HG2 . 7365 1 148 . 1 1 21 21 PRO HG3 H 1 1.74 0.11 . 2 . . . . 16 PRO HG3 . 7365 1 149 . 1 1 21 21 PRO CA C 13 62.08 0.81 . 1 . . . . 16 PRO CA . 7365 1 150 . 1 1 21 21 PRO CB C 13 31.76 0.81 . 1 . . . . 16 PRO CB . 7365 1 151 . 1 1 21 21 PRO CD C 13 50.81 0.81 . 1 . . . . 16 PRO CD . 7365 1 152 . 1 1 21 21 PRO CG C 13 27.68 0.81 . 1 . . . . 16 PRO CG . 7365 1 153 . 1 1 22 22 ALA H H 1 8.41 0.11 . 1 . . . . 17 ALA H . 7365 1 154 . 1 1 22 22 ALA HA H 1 4.21 0.11 . 1 . . . . 17 ALA HA . 7365 1 155 . 1 1 22 22 ALA HB1 H 1 1.45 0.11 . 1 . . . . 17 ALA HB . 7365 1 156 . 1 1 22 22 ALA HB2 H 1 1.45 0.11 . 1 . . . . 17 ALA HB . 7365 1 157 . 1 1 22 22 ALA HB3 H 1 1.45 0.11 . 1 . . . . 17 ALA HB . 7365 1 158 . 1 1 22 22 ALA CA C 13 53.95 0.81 . 1 . . . . 17 ALA CA . 7365 1 159 . 1 1 22 22 ALA CB C 13 18.65 0.81 . 1 . . . . 17 ALA CB . 7365 1 160 . 1 1 22 22 ALA N N 15 122.94 0.60 . 1 . . . . 17 ALA N . 7365 1 161 . 1 1 23 23 GLY H H 1 8.71 0.11 . 1 . . . . 18 GLY H . 7365 1 162 . 1 1 23 23 GLY HA2 H 1 3.46 0.11 . 1 . . . . 18 GLY HA2 . 7365 1 163 . 1 1 23 23 GLY HA3 H 1 3.89 0.11 . 1 . . . . 18 GLY HA3 . 7365 1 164 . 1 1 23 23 GLY CA C 13 45.11 0.81 . 1 . . . . 18 GLY CA . 7365 1 165 . 1 1 23 23 GLY N N 15 110.32 0.60 . 1 . . . . 18 GLY N . 7365 1 166 . 1 1 24 24 TRP H H 1 7.81 0.11 . 1 . . . . 19 TRP H . 7365 1 167 . 1 1 24 24 TRP HA H 1 5.52 0.11 . 1 . . . . 19 TRP HA . 7365 1 168 . 1 1 24 24 TRP HB2 H 1 3.04 0.11 . 1 . . . . 19 TRP HB2 . 7365 1 169 . 1 1 24 24 TRP HB3 H 1 3.36 0.11 . 1 . . . . 19 TRP HB3 . 7365 1 170 . 1 1 24 24 TRP HD1 H 1 7.08 0.11 . 1 . . . . 19 TRP HD1 . 7365 1 171 . 1 1 24 24 TRP HE3 H 1 7.51 0.11 . 1 . . . . 19 TRP HE3 . 7365 1 172 . 1 1 24 24 TRP HH2 H 1 6.94 0.11 . 1 . . . . 19 TRP HH2 . 7365 1 173 . 1 1 24 24 TRP HZ2 H 1 7.14 0.11 . 1 . . . . 19 TRP HZ2 . 7365 1 174 . 1 1 24 24 TRP HZ3 H 1 6.90 0.11 . 1 . . . . 19 TRP HZ3 . 7365 1 175 . 1 1 24 24 TRP CA C 13 57.02 0.81 . 1 . . . . 19 TRP CA . 7365 1 176 . 1 1 24 24 TRP CB C 13 32.27 0.81 . 1 . . . . 19 TRP CB . 7365 1 177 . 1 1 24 24 TRP N N 15 118.39 0.60 . 1 . . . . 19 TRP N . 7365 1 178 . 1 1 25 25 MET H H 1 9.57 0.11 . 1 . . . . 20 MET H . 7365 1 179 . 1 1 25 25 MET HA H 1 4.94 0.11 . 1 . . . . 20 MET HA . 7365 1 180 . 1 1 25 25 MET HB2 H 1 2.06 0.11 . 1 . . . . 20 MET HB2 . 7365 1 181 . 1 1 25 25 MET HB3 H 1 2.13 0.11 . 1 . . . . 20 MET HB3 . 7365 1 182 . 1 1 25 25 MET HG2 H 1 2.51 0.11 . 2 . . . . 20 MET HG2 . 7365 1 183 . 1 1 25 25 MET HG3 H 1 2.51 0.11 . 2 . . . . 20 MET HG3 . 7365 1 184 . 1 1 25 25 MET CA C 13 54.39 0.81 . 1 . . . . 20 MET CA . 7365 1 185 . 1 1 25 25 MET CB C 13 37.22 0.81 . 1 . . . . 20 MET CB . 7365 1 186 . 1 1 25 25 MET CG C 13 31.91 0.81 . 1 . . . . 20 MET CG . 7365 1 187 . 1 1 25 25 MET N N 15 119.38 0.60 . 1 . . . . 20 MET N . 7365 1 188 . 1 1 26 26 ARG H H 1 8.88 0.11 . 1 . . . . 21 ARG H . 7365 1 189 . 1 1 26 26 ARG HA H 1 4.49 0.11 . 1 . . . . 21 ARG HA . 7365 1 190 . 1 1 26 26 ARG HB2 H 1 1.63 0.11 . 1 . . . . 21 ARG HB2 . 7365 1 191 . 1 1 26 26 ARG HB3 H 1 1.75 0.11 . 1 . . . . 21 ARG HB3 . 7365 1 192 . 1 1 26 26 ARG HD2 H 1 3.10 0.11 . 1 . . . . 21 ARG HD2 . 7365 1 193 . 1 1 26 26 ARG HD3 H 1 3.16 0.11 . 1 . . . . 21 ARG HD3 . 7365 1 194 . 1 1 26 26 ARG HG2 H 1 1.12 0.11 . 2 . . . . 21 ARG HG2 . 7365 1 195 . 1 1 26 26 ARG HG3 H 1 1.12 0.11 . 2 . . . . 21 ARG HG3 . 7365 1 196 . 1 1 26 26 ARG CA C 13 55.57 0.81 . 1 . . . . 21 ARG CA . 7365 1 197 . 1 1 26 26 ARG CB C 13 31.88 0.81 . 1 . . . . 21 ARG CB . 7365 1 198 . 1 1 26 26 ARG CD C 13 43.59 0.81 . 1 . . . . 21 ARG CD . 7365 1 199 . 1 1 26 26 ARG CG C 13 28.48 0.81 . 1 . . . . 21 ARG CG . 7365 1 200 . 1 1 26 26 ARG N N 15 124.98 0.60 . 1 . . . . 21 ARG N . 7365 1 201 . 1 1 27 27 VAL H H 1 8.86 0.11 . 1 . . . . 22 VAL H . 7365 1 202 . 1 1 27 27 VAL HA H 1 3.96 0.11 . 1 . . . . 22 VAL HA . 7365 1 203 . 1 1 27 27 VAL HB H 1 0.50 0.11 . 1 . . . . 22 VAL HB . 7365 1 204 . 1 1 27 27 VAL HG11 H 1 0.55 0.11 . 2 . . . . 22 VAL HG1 . 7365 1 205 . 1 1 27 27 VAL HG12 H 1 0.55 0.11 . 2 . . . . 22 VAL HG1 . 7365 1 206 . 1 1 27 27 VAL HG13 H 1 0.55 0.11 . 2 . . . . 22 VAL HG1 . 7365 1 207 . 1 1 27 27 VAL HG21 H 1 0.55 0.11 . 2 . . . . 22 VAL HG2 . 7365 1 208 . 1 1 27 27 VAL HG22 H 1 0.55 0.11 . 2 . . . . 22 VAL HG2 . 7365 1 209 . 1 1 27 27 VAL HG23 H 1 0.55 0.11 . 2 . . . . 22 VAL HG2 . 7365 1 210 . 1 1 27 27 VAL CA C 13 61.32 0.81 . 1 . . . . 22 VAL CA . 7365 1 211 . 1 1 27 27 VAL CB C 13 33.47 0.81 . 1 . . . . 22 VAL CB . 7365 1 212 . 1 1 27 27 VAL CG1 C 13 21.39 0.81 . 2 . . . . 22 VAL CG1 . 7365 1 213 . 1 1 27 27 VAL CG2 C 13 21.39 0.81 . 2 . . . . 22 VAL CG2 . 7365 1 214 . 1 1 27 27 VAL N N 15 128.37 0.60 . 1 . . . . 22 VAL N . 7365 1 215 . 1 1 28 28 GLN H H 1 8.23 0.11 . 1 . . . . 23 GLN H . 7365 1 216 . 1 1 28 28 GLN HA H 1 4.98 0.11 . 1 . . . . 23 GLN HA . 7365 1 217 . 1 1 28 28 GLN HB2 H 1 1.85 0.11 . 1 . . . . 23 GLN HB2 . 7365 1 218 . 1 1 28 28 GLN HB3 H 1 1.98 0.11 . 1 . . . . 23 GLN HB3 . 7365 1 219 . 1 1 28 28 GLN HE21 H 1 6.80 0.11 . 1 . . . . 23 GLN HE21 . 7365 1 220 . 1 1 28 28 GLN HE22 H 1 7.46 0.11 . 1 . . . . 23 GLN HE22 . 7365 1 221 . 1 1 28 28 GLN HG2 H 1 2.23 0.11 . 2 . . . . 23 GLN HG2 . 7365 1 222 . 1 1 28 28 GLN HG3 H 1 2.23 0.11 . 2 . . . . 23 GLN HG3 . 7365 1 223 . 1 1 28 28 GLN CA C 13 54.52 0.81 . 1 . . . . 23 GLN CA . 7365 1 224 . 1 1 28 28 GLN CB C 13 30.56 0.81 . 1 . . . . 23 GLN CB . 7365 1 225 . 1 1 28 28 GLN CG C 13 34.09 0.81 . 1 . . . . 23 GLN CG . 7365 1 226 . 1 1 28 28 GLN N N 15 123.98 0.60 . 1 . . . . 23 GLN N . 7365 1 227 . 1 1 28 28 GLN NE2 N 15 111.85 0.60 . 1 . . . . 23 GLN NE2 . 7365 1 228 . 1 1 29 29 ASP H H 1 8.71 0.11 . 1 . . . . 24 ASP H . 7365 1 229 . 1 1 29 29 ASP HA H 1 4.90 0.11 . 1 . . . . 24 ASP HA . 7365 1 230 . 1 1 29 29 ASP HB2 H 1 2.92 0.11 . 1 . . . . 24 ASP HB2 . 7365 1 231 . 1 1 29 29 ASP HB3 H 1 3.17 0.11 . 1 . . . . 24 ASP HB3 . 7365 1 232 . 1 1 29 29 ASP CA C 13 53.04 0.81 . 1 . . . . 24 ASP CA . 7365 1 233 . 1 1 29 29 ASP CB C 13 42.73 0.81 . 1 . . . . 24 ASP CB . 7365 1 234 . 1 1 29 29 ASP N N 15 126.16 0.60 . 1 . . . . 24 ASP N . 7365 1 235 . 1 1 30 30 THR H H 1 8.25 0.11 . 1 . . . . 25 THR H . 7365 1 236 . 1 1 30 30 THR HA H 1 4.12 0.11 . 1 . . . . 25 THR HA . 7365 1 237 . 1 1 30 30 THR HB H 1 4.33 0.11 . 1 . . . . 25 THR HB . 7365 1 238 . 1 1 30 30 THR HG21 H 1 1.34 0.11 . 1 . . . . 25 THR HG2 . 7365 1 239 . 1 1 30 30 THR HG22 H 1 1.34 0.11 . 1 . . . . 25 THR HG2 . 7365 1 240 . 1 1 30 30 THR HG23 H 1 1.34 0.11 . 1 . . . . 25 THR HG2 . 7365 1 241 . 1 1 30 30 THR CA C 13 65.16 0.81 . 1 . . . . 25 THR CA . 7365 1 242 . 1 1 30 30 THR CB C 13 68.87 0.81 . 1 . . . . 25 THR CB . 7365 1 243 . 1 1 30 30 THR CG2 C 13 22.03 0.81 . 1 . . . . 25 THR CG2 . 7365 1 244 . 1 1 30 30 THR N N 15 112.46 0.60 . 1 . . . . 25 THR N . 7365 1 245 . 1 1 31 31 SER H H 1 8.94 0.11 . 1 . . . . 26 SER H . 7365 1 246 . 1 1 31 31 SER HA H 1 4.56 0.11 . 1 . . . . 26 SER HA . 7365 1 247 . 1 1 31 31 SER HB2 H 1 3.97 0.11 . 1 . . . . 26 SER HB2 . 7365 1 248 . 1 1 31 31 SER HB3 H 1 4.11 0.11 . 1 . . . . 26 SER HB3 . 7365 1 249 . 1 1 31 31 SER CA C 13 59.69 0.81 . 1 . . . . 26 SER CA . 7365 1 250 . 1 1 31 31 SER CB C 13 64.17 0.81 . 1 . . . . 26 SER CB . 7365 1 251 . 1 1 31 31 SER N N 15 117.28 0.60 . 1 . . . . 26 SER N . 7365 1 252 . 1 1 32 32 GLY H H 1 7.89 0.11 . 1 . . . . 27 GLY H . 7365 1 253 . 1 1 32 32 GLY HA2 H 1 3.95 0.11 . 1 . . . . 27 GLY HA2 . 7365 1 254 . 1 1 32 32 GLY HA3 H 1 4.76 0.11 . 1 . . . . 27 GLY HA3 . 7365 1 255 . 1 1 32 32 GLY CA C 13 44.82 0.81 . 1 . . . . 27 GLY CA . 7365 1 256 . 1 1 32 32 GLY N N 15 110.95 0.60 . 1 . . . . 27 GLY N . 7365 1 257 . 1 1 33 33 THR H H 1 8.46 0.11 . 1 . . . . 28 THR H . 7365 1 258 . 1 1 33 33 THR HA H 1 5.23 0.11 . 1 . . . . 28 THR HA . 7365 1 259 . 1 1 33 33 THR HB H 1 3.96 0.11 . 1 . . . . 28 THR HB . 7365 1 260 . 1 1 33 33 THR HG21 H 1 0.94 0.11 . 1 . . . . 28 THR HG2 . 7365 1 261 . 1 1 33 33 THR HG22 H 1 0.94 0.11 . 1 . . . . 28 THR HG2 . 7365 1 262 . 1 1 33 33 THR HG23 H 1 0.94 0.11 . 1 . . . . 28 THR HG2 . 7365 1 263 . 1 1 33 33 THR CA C 13 61.75 0.81 . 1 . . . . 28 THR CA . 7365 1 264 . 1 1 33 33 THR CB C 13 70.53 0.81 . 1 . . . . 28 THR CB . 7365 1 265 . 1 1 33 33 THR CG2 C 13 21.49 0.81 . 1 . . . . 28 THR CG2 . 7365 1 266 . 1 1 33 33 THR N N 15 117.69 0.60 . 1 . . . . 28 THR N . 7365 1 267 . 1 1 34 34 TYR H H 1 8.70 0.11 . 1 . . . . 29 TYR H . 7365 1 268 . 1 1 34 34 TYR HA H 1 4.67 0.11 . 1 . . . . 29 TYR HA . 7365 1 269 . 1 1 34 34 TYR HB2 H 1 2.38 0.11 . 1 . . . . 29 TYR HB2 . 7365 1 270 . 1 1 34 34 TYR HB3 H 1 2.14 0.11 . 1 . . . . 29 TYR HB3 . 7365 1 271 . 1 1 34 34 TYR HD1 H 1 6.60 0.11 . 3 . . . . 29 TYR HD1 . 7365 1 272 . 1 1 34 34 TYR HD2 H 1 6.60 0.11 . 3 . . . . 29 TYR HD2 . 7365 1 273 . 1 1 34 34 TYR HE1 H 1 6.54 0.11 . 3 . . . . 29 TYR HE1 . 7365 1 274 . 1 1 34 34 TYR HE2 H 1 6.54 0.11 . 3 . . . . 29 TYR HE2 . 7365 1 275 . 1 1 34 34 TYR CA C 13 55.50 0.81 . 1 . . . . 29 TYR CA . 7365 1 276 . 1 1 34 34 TYR CB C 13 38.14 0.81 . 1 . . . . 29 TYR CB . 7365 1 277 . 1 1 34 34 TYR N N 15 123.42 0.60 . 1 . . . . 29 TYR N . 7365 1 278 . 1 1 35 35 TYR H H 1 8.92 0.11 . 1 . . . . 30 TYR H . 7365 1 279 . 1 1 35 35 TYR HA H 1 5.33 0.11 . 1 . . . . 30 TYR HA . 7365 1 280 . 1 1 35 35 TYR HB2 H 1 2.84 0.11 . 1 . . . . 30 TYR HB2 . 7365 1 281 . 1 1 35 35 TYR HB3 H 1 3.08 0.11 . 1 . . . . 30 TYR HB3 . 7365 1 282 . 1 1 35 35 TYR HD1 H 1 6.84 0.11 . 3 . . . . 30 TYR HD1 . 7365 1 283 . 1 1 35 35 TYR HD2 H 1 6.84 0.11 . 3 . . . . 30 TYR HD2 . 7365 1 284 . 1 1 35 35 TYR HE1 H 1 6.71 0.11 . 3 . . . . 30 TYR HE1 . 7365 1 285 . 1 1 35 35 TYR HE2 H 1 6.71 0.11 . 3 . . . . 30 TYR HE2 . 7365 1 286 . 1 1 35 35 TYR CA C 13 57.55 0.81 . 1 . . . . 30 TYR CA . 7365 1 287 . 1 1 35 35 TYR CB C 13 41.27 0.81 . 1 . . . . 30 TYR CB . 7365 1 288 . 1 1 35 35 TYR N N 15 116.92 0.60 . 1 . . . . 30 TYR N . 7365 1 289 . 1 1 36 36 TRP H H 1 9.58 0.11 . 1 . . . . 31 TRP H . 7365 1 290 . 1 1 36 36 TRP HA H 1 5.74 0.11 . 1 . . . . 31 TRP HA . 7365 1 291 . 1 1 36 36 TRP HB2 H 1 2.92 0.11 . 1 . . . . 31 TRP HB2 . 7365 1 292 . 1 1 36 36 TRP HB3 H 1 3.25 0.11 . 1 . . . . 31 TRP HB3 . 7365 1 293 . 1 1 36 36 TRP HD1 H 1 6.82 0.11 . 1 . . . . 31 TRP HD1 . 7365 1 294 . 1 1 36 36 TRP HE1 H 1 10.10 0.11 . 1 . . . . 31 TRP HE1 . 7365 1 295 . 1 1 36 36 TRP HE3 H 1 7.35 0.11 . 1 . . . . 31 TRP HE3 . 7365 1 296 . 1 1 36 36 TRP HH2 H 1 7.12 0.11 . 1 . . . . 31 TRP HH2 . 7365 1 297 . 1 1 36 36 TRP HZ2 H 1 7.43 0.11 . 1 . . . . 31 TRP HZ2 . 7365 1 298 . 1 1 36 36 TRP HZ3 H 1 7.00 0.11 . 1 . . . . 31 TRP HZ3 . 7365 1 299 . 1 1 36 36 TRP CA C 13 54.29 0.81 . 1 . . . . 31 TRP CA . 7365 1 300 . 1 1 36 36 TRP CB C 13 33.42 0.81 . 1 . . . . 31 TRP CB . 7365 1 301 . 1 1 36 36 TRP N N 15 126.10 0.60 . 1 . . . . 31 TRP N . 7365 1 302 . 1 1 36 36 TRP NE1 N 15 128.39 0.60 . 1 . . . . 31 TRP NE1 . 7365 1 303 . 1 1 37 37 HIS H H 1 8.95 0.11 . 1 . . . . 32 HIS H . 7365 1 304 . 1 1 37 37 HIS HA H 1 3.94 0.11 . 1 . . . . 32 HIS HA . 7365 1 305 . 1 1 37 37 HIS HB2 H 1 0.18 0.11 . 1 . . . . 32 HIS HB2 . 7365 1 306 . 1 1 37 37 HIS HB3 H 1 2.31 0.11 . 1 . . . . 32 HIS HB3 . 7365 1 307 . 1 1 37 37 HIS HD2 H 1 7.64 0.11 . 1 . . . . 32 HIS HD2 . 7365 1 308 . 1 1 37 37 HIS HE1 H 1 8.45 0.11 . 1 . . . . 32 HIS HE1 . 7365 1 309 . 1 1 37 37 HIS CA C 13 55.05 0.81 . 1 . . . . 32 HIS CA . 7365 1 310 . 1 1 37 37 HIS CB C 13 29.11 0.81 . 1 . . . . 32 HIS CB . 7365 1 311 . 1 1 37 37 HIS N N 15 130.94 0.60 . 1 . . . . 32 HIS N . 7365 1 312 . 1 1 38 38 ILE H H 1 8.13 0.11 . 1 . . . . 33 ILE H . 7365 1 313 . 1 1 38 38 ILE HA H 1 2.92 0.11 . 1 . . . . 33 ILE HA . 7365 1 314 . 1 1 38 38 ILE HB H 1 1.49 0.11 . 1 . . . . 33 ILE HB . 7365 1 315 . 1 1 38 38 ILE HD11 H 1 0.35 0.11 . 1 . . . . 33 ILE HD1 . 7365 1 316 . 1 1 38 38 ILE HD12 H 1 0.35 0.11 . 1 . . . . 33 ILE HD1 . 7365 1 317 . 1 1 38 38 ILE HD13 H 1 0.35 0.11 . 1 . . . . 33 ILE HD1 . 7365 1 318 . 1 1 38 38 ILE HG12 H 1 0.01 0.11 . 1 . . . . 33 ILE HG12 . 7365 1 319 . 1 1 38 38 ILE HG13 H 1 0.81 0.11 . 1 . . . . 33 ILE HG13 . 7365 1 320 . 1 1 38 38 ILE HG21 H 1 0.54 0.11 . 1 . . . . 33 ILE HG2 . 7365 1 321 . 1 1 38 38 ILE HG22 H 1 0.54 0.11 . 1 . . . . 33 ILE HG2 . 7365 1 322 . 1 1 38 38 ILE HG23 H 1 0.54 0.11 . 1 . . . . 33 ILE HG2 . 7365 1 323 . 1 1 38 38 ILE CA C 13 65.70 0.81 . 1 . . . . 33 ILE CA . 7365 1 324 . 1 1 38 38 ILE CB C 13 35.35 0.81 . 1 . . . . 33 ILE CB . 7365 1 325 . 1 1 38 38 ILE CD1 C 13 13.42 0.81 . 1 . . . . 33 ILE CD1 . 7365 1 326 . 1 1 38 38 ILE CG1 C 13 28.56 0.81 . 1 . . . . 33 ILE CG1 . 7365 1 327 . 1 1 38 38 ILE CG2 C 13 17.48 0.81 . 1 . . . . 33 ILE CG2 . 7365 1 328 . 1 1 38 38 ILE N N 15 127.65 0.60 . 1 . . . . 33 ILE N . 7365 1 329 . 1 1 39 39 PRO HA H 1 4.12 0.11 . 1 . . . . 34 PRO HA . 7365 1 330 . 1 1 39 39 PRO HB2 H 1 1.46 0.11 . 1 . . . . 34 PRO HB2 . 7365 1 331 . 1 1 39 39 PRO HB3 H 1 2.28 0.11 . 1 . . . . 34 PRO HB3 . 7365 1 332 . 1 1 39 39 PRO HD2 H 1 3.30 0.11 . 2 . . . . 34 PRO HD2 . 7365 1 333 . 1 1 39 39 PRO HD3 H 1 3.30 0.11 . 2 . . . . 34 PRO HD3 . 7365 1 334 . 1 1 39 39 PRO HG2 H 1 1.61 0.11 . 1 . . . . 34 PRO HG2 . 7365 1 335 . 1 1 39 39 PRO HG3 H 1 1.52 0.11 . 1 . . . . 34 PRO HG3 . 7365 1 336 . 1 1 39 39 PRO CA C 13 65.70 0.81 . 1 . . . . 34 PRO CA . 7365 1 337 . 1 1 39 39 PRO CB C 13 32.15 0.81 . 1 . . . . 34 PRO CB . 7365 1 338 . 1 1 39 39 PRO CD C 13 49.41 0.81 . 1 . . . . 34 PRO CD . 7365 1 339 . 1 1 39 39 PRO CG C 13 27.87 0.81 . 1 . . . . 34 PRO CG . 7365 1 340 . 1 1 40 40 THR H H 1 6.47 0.11 . 1 . . . . 35 THR H . 7365 1 341 . 1 1 40 40 THR HA H 1 4.51 0.11 . 1 . . . . 35 THR HA . 7365 1 342 . 1 1 40 40 THR HB H 1 4.36 0.11 . 1 . . . . 35 THR HB . 7365 1 343 . 1 1 40 40 THR HG21 H 1 1.33 0.11 . 1 . . . . 35 THR HG2 . 7365 1 344 . 1 1 40 40 THR HG22 H 1 1.33 0.11 . 1 . . . . 35 THR HG2 . 7365 1 345 . 1 1 40 40 THR HG23 H 1 1.33 0.11 . 1 . . . . 35 THR HG2 . 7365 1 346 . 1 1 40 40 THR CA C 13 61.24 0.81 . 1 . . . . 35 THR CA . 7365 1 347 . 1 1 40 40 THR CB C 13 72.28 0.81 . 1 . . . . 35 THR CB . 7365 1 348 . 1 1 40 40 THR CG2 C 13 21.71 0.81 . 1 . . . . 35 THR CG2 . 7365 1 349 . 1 1 40 40 THR N N 15 100.77 0.60 . 1 . . . . 35 THR N . 7365 1 350 . 1 1 41 41 GLY H H 1 8.53 0.11 . 1 . . . . 36 GLY H . 7365 1 351 . 1 1 41 41 GLY HA2 H 1 3.66 0.11 . 1 . . . . 36 GLY HA2 . 7365 1 352 . 1 1 41 41 GLY HA3 H 1 4.21 0.11 . 1 . . . . 36 GLY HA3 . 7365 1 353 . 1 1 41 41 GLY CA C 13 46.22 0.81 . 1 . . . . 36 GLY CA . 7365 1 354 . 1 1 41 41 GLY N N 15 113.28 0.60 . 1 . . . . 36 GLY N . 7365 1 355 . 1 1 42 42 THR H H 1 7.46 0.11 . 1 . . . . 37 THR H . 7365 1 356 . 1 1 42 42 THR HA H 1 4.26 0.11 . 1 . . . . 37 THR HA . 7365 1 357 . 1 1 42 42 THR HB H 1 3.95 0.11 . 1 . . . . 37 THR HB . 7365 1 358 . 1 1 42 42 THR HG21 H 1 1.34 0.11 . 1 . . . . 37 THR HG2 . 7365 1 359 . 1 1 42 42 THR HG22 H 1 1.34 0.11 . 1 . . . . 37 THR HG2 . 7365 1 360 . 1 1 42 42 THR HG23 H 1 1.34 0.11 . 1 . . . . 37 THR HG2 . 7365 1 361 . 1 1 42 42 THR CA C 13 63.66 0.81 . 1 . . . . 37 THR CA . 7365 1 362 . 1 1 42 42 THR CB C 13 69.96 0.81 . 1 . . . . 37 THR CB . 7365 1 363 . 1 1 42 42 THR CG2 C 13 21.75 0.81 . 1 . . . . 37 THR CG2 . 7365 1 364 . 1 1 42 42 THR N N 15 115.72 0.60 . 1 . . . . 37 THR N . 7365 1 365 . 1 1 43 43 THR H H 1 8.42 0.11 . 1 . . . . 38 THR H . 7365 1 366 . 1 1 43 43 THR HA H 1 5.92 0.11 . 1 . . . . 38 THR HA . 7365 1 367 . 1 1 43 43 THR HB H 1 4.01 0.11 . 1 . . . . 38 THR HB . 7365 1 368 . 1 1 43 43 THR HG21 H 1 1.06 0.11 . 1 . . . . 38 THR HG2 . 7365 1 369 . 1 1 43 43 THR HG22 H 1 1.06 0.11 . 1 . . . . 38 THR HG2 . 7365 1 370 . 1 1 43 43 THR HG23 H 1 1.06 0.11 . 1 . . . . 38 THR HG2 . 7365 1 371 . 1 1 43 43 THR CA C 13 59.56 0.81 . 1 . . . . 38 THR CA . 7365 1 372 . 1 1 43 43 THR CB C 13 72.14 0.81 . 1 . . . . 38 THR CB . 7365 1 373 . 1 1 43 43 THR CG2 C 13 22.13 0.81 . 1 . . . . 38 THR CG2 . 7365 1 374 . 1 1 43 43 THR N N 15 116.01 0.60 . 1 . . . . 38 THR N . 7365 1 375 . 1 1 44 44 GLN H H 1 9.18 0.11 . 1 . . . . 39 GLN H . 7365 1 376 . 1 1 44 44 GLN HA H 1 4.93 0.11 . 1 . . . . 39 GLN HA . 7365 1 377 . 1 1 44 44 GLN HB2 H 1 2.28 0.11 . 1 . . . . 39 GLN HB2 . 7365 1 378 . 1 1 44 44 GLN HB3 H 1 2.58 0.11 . 1 . . . . 39 GLN HB3 . 7365 1 379 . 1 1 44 44 GLN HE21 H 1 6.46 0.11 . 1 . . . . 39 GLN HE21 . 7365 1 380 . 1 1 44 44 GLN HE22 H 1 7.45 0.11 . 1 . . . . 39 GLN HE22 . 7365 1 381 . 1 1 44 44 GLN HG2 H 1 2.65 0.11 . 1 . . . . 39 GLN HG2 . 7365 1 382 . 1 1 44 44 GLN HG3 H 1 2.33 0.11 . 1 . . . . 39 GLN HG3 . 7365 1 383 . 1 1 44 44 GLN CA C 13 54.89 0.81 . 1 . . . . 39 GLN CA . 7365 1 384 . 1 1 44 44 GLN CB C 13 32.55 0.81 . 1 . . . . 39 GLN CB . 7365 1 385 . 1 1 44 44 GLN CG C 13 32.20 0.81 . 1 . . . . 39 GLN CG . 7365 1 386 . 1 1 44 44 GLN N N 15 116.86 0.60 . 1 . . . . 39 GLN N . 7365 1 387 . 1 1 44 44 GLN NE2 N 15 112.35 0.60 . 1 . . . . 39 GLN NE2 . 7365 1 388 . 1 1 45 45 TRP H H 1 8.89 0.11 . 1 . . . . 40 TRP H . 7365 1 389 . 1 1 45 45 TRP HA H 1 4.82 0.11 . 1 . . . . 40 TRP HA . 7365 1 390 . 1 1 45 45 TRP HB2 H 1 3.23 0.11 . 1 . . . . 40 TRP HB2 . 7365 1 391 . 1 1 45 45 TRP HB3 H 1 3.66 0.11 . 1 . . . . 40 TRP HB3 . 7365 1 392 . 1 1 45 45 TRP HD1 H 1 7.42 0.11 . 1 . . . . 40 TRP HD1 . 7365 1 393 . 1 1 45 45 TRP HE3 H 1 7.97 0.11 . 1 . . . . 40 TRP HE3 . 7365 1 394 . 1 1 45 45 TRP HH2 H 1 7.12 0.11 . 1 . . . . 40 TRP HH2 . 7365 1 395 . 1 1 45 45 TRP HZ2 H 1 7.30 0.11 . 1 . . . . 40 TRP HZ2 . 7365 1 396 . 1 1 45 45 TRP HZ3 H 1 7.05 0.11 . 1 . . . . 40 TRP HZ3 . 7365 1 397 . 1 1 45 45 TRP CA C 13 59.41 0.81 . 1 . . . . 40 TRP CA . 7365 1 398 . 1 1 45 45 TRP CB C 13 30.27 0.81 . 1 . . . . 40 TRP CB . 7365 1 399 . 1 1 45 45 TRP N N 15 121.20 0.60 . 1 . . . . 40 TRP N . 7365 1 400 . 1 1 46 46 GLU H H 1 7.97 0.11 . 1 . . . . 41 GLU H . 7365 1 401 . 1 1 46 46 GLU HA H 1 4.72 0.11 . 1 . . . . 41 GLU HA . 7365 1 402 . 1 1 46 46 GLU HB2 H 1 1.84 0.11 . 1 . . . . 41 GLU HB2 . 7365 1 403 . 1 1 46 46 GLU HB3 H 1 1.90 0.11 . 1 . . . . 41 GLU HB3 . 7365 1 404 . 1 1 46 46 GLU HG2 H 1 2.22 0.11 . 1 . . . . 41 GLU HG2 . 7365 1 405 . 1 1 46 46 GLU HG3 H 1 2.30 0.11 . 1 . . . . 41 GLU HG3 . 7365 1 406 . 1 1 46 46 GLU CA C 13 54.07 0.81 . 1 . . . . 41 GLU CA . 7365 1 407 . 1 1 46 46 GLU CB C 13 29.64 0.81 . 1 . . . . 41 GLU CB . 7365 1 408 . 1 1 46 46 GLU CG C 13 35.93 0.81 . 1 . . . . 41 GLU CG . 7365 1 409 . 1 1 46 46 GLU N N 15 119.50 0.60 . 1 . . . . 41 GLU N . 7365 1 410 . 1 1 47 47 PRO HA H 1 2.90 0.11 . 1 . . . . 42 PRO HA . 7365 1 411 . 1 1 47 47 PRO HB2 H 1 1.39 0.11 . 1 . . . . 42 PRO HB2 . 7365 1 412 . 1 1 47 47 PRO HB3 H 1 1.64 0.11 . 1 . . . . 42 PRO HB3 . 7365 1 413 . 1 1 47 47 PRO HD2 H 1 3.51 0.11 . 1 . . . . 42 PRO HD2 . 7365 1 414 . 1 1 47 47 PRO HD3 H 1 3.75 0.11 . 1 . . . . 42 PRO HD3 . 7365 1 415 . 1 1 47 47 PRO HG2 H 1 1.90 0.11 . 2 . . . . 42 PRO HG2 . 7365 1 416 . 1 1 47 47 PRO HG3 H 1 1.90 0.11 . 2 . . . . 42 PRO HG3 . 7365 1 417 . 1 1 47 47 PRO CA C 13 60.70 0.81 . 1 . . . . 42 PRO CA . 7365 1 418 . 1 1 47 47 PRO CB C 13 29.76 0.81 . 1 . . . . 42 PRO CB . 7365 1 419 . 1 1 47 47 PRO CD C 13 50.35 0.81 . 1 . . . . 42 PRO CD . 7365 1 420 . 1 1 47 47 PRO CG C 13 27.51 0.81 . 1 . . . . 42 PRO CG . 7365 1 421 . 1 1 48 48 PRO HA H 1 3.77 0.11 . 1 . . . . 43 PRO HA . 7365 1 422 . 1 1 48 48 PRO HB2 H 1 0.83 0.11 . 1 . . . . 43 PRO HB2 . 7365 1 423 . 1 1 48 48 PRO HB3 H 1 0.44 0.11 . 1 . . . . 43 PRO HB3 . 7365 1 424 . 1 1 48 48 PRO HD2 H 1 2.49 0.11 . 1 . . . . 43 PRO HD2 . 7365 1 425 . 1 1 48 48 PRO HD3 H 1 2.21 0.11 . 1 . . . . 43 PRO HD3 . 7365 1 426 . 1 1 48 48 PRO HG2 H 1 0.81 0.11 . 1 . . . . 43 PRO HG2 . 7365 1 427 . 1 1 48 48 PRO HG3 H 1 0.10 0.11 . 1 . . . . 43 PRO HG3 . 7365 1 428 . 1 1 48 48 PRO CA C 13 61.89 0.81 . 1 . . . . 43 PRO CA . 7365 1 429 . 1 1 48 48 PRO CB C 13 30.88 0.81 . 1 . . . . 43 PRO CB . 7365 1 430 . 1 1 48 48 PRO CD C 13 49.78 0.81 . 1 . . . . 43 PRO CD . 7365 1 431 . 1 1 48 48 PRO CG C 13 26.37 0.81 . 1 . . . . 43 PRO CG . 7365 1 432 . 1 1 49 49 GLY H H 1 8.02 0.11 . 1 . . . . 44 GLY H . 7365 1 433 . 1 1 49 49 GLY HA2 H 1 3.77 0.11 . 2 . . . . 44 GLY HA2 . 7365 1 434 . 1 1 49 49 GLY HA3 H 1 3.77 0.11 . 2 . . . . 44 GLY HA3 . 7365 1 435 . 1 1 49 49 GLY CA C 13 44.77 0.81 . 1 . . . . 44 GLY CA . 7365 1 436 . 1 1 49 49 GLY N N 15 107.85 0.60 . 1 . . . . 44 GLY N . 7365 1 437 . 1 1 50 50 ARG H H 1 7.98 0.11 . 1 . . . . 45 ARG H . 7365 1 438 . 1 1 50 50 ARG HA H 1 4.28 0.11 . 1 . . . . 45 ARG HA . 7365 1 439 . 1 1 50 50 ARG HB2 H 1 1.66 0.11 . 1 . . . . 45 ARG HB2 . 7365 1 440 . 1 1 50 50 ARG HB3 H 1 1.79 0.11 . 1 . . . . 45 ARG HB3 . 7365 1 441 . 1 1 50 50 ARG HD2 H 1 3.12 0.11 . 2 . . . . 45 ARG HD2 . 7365 1 442 . 1 1 50 50 ARG HD3 H 1 3.12 0.11 . 2 . . . . 45 ARG HD3 . 7365 1 443 . 1 1 50 50 ARG HG2 H 1 1.56 0.11 . 2 . . . . 45 ARG HG2 . 7365 1 444 . 1 1 50 50 ARG HG3 H 1 1.56 0.11 . 2 . . . . 45 ARG HG3 . 7365 1 445 . 1 1 50 50 ARG CA C 13 55.73 0.81 . 1 . . . . 45 ARG CA . 7365 1 446 . 1 1 50 50 ARG CB C 13 31.15 0.81 . 1 . . . . 45 ARG CB . 7365 1 447 . 1 1 50 50 ARG CD C 13 43.47 0.81 . 1 . . . . 45 ARG CD . 7365 1 448 . 1 1 50 50 ARG CG C 13 27.15 0.81 . 1 . . . . 45 ARG CG . 7365 1 449 . 1 1 50 50 ARG N N 15 119.87 0.60 . 1 . . . . 45 ARG N . 7365 1 450 . 1 1 51 51 ALA H H 1 8.34 0.11 . 1 . . . . 46 ALA H . 7365 1 451 . 1 1 51 51 ALA HA H 1 4.33 0.11 . 1 . . . . 46 ALA HA . 7365 1 452 . 1 1 51 51 ALA HB1 H 1 1.36 0.11 . 1 . . . . 46 ALA HB . 7365 1 453 . 1 1 51 51 ALA HB2 H 1 1.36 0.11 . 1 . . . . 46 ALA HB . 7365 1 454 . 1 1 51 51 ALA HB3 H 1 1.36 0.11 . 1 . . . . 46 ALA HB . 7365 1 455 . 1 1 51 51 ALA CA C 13 52.29 0.81 . 1 . . . . 46 ALA CA . 7365 1 456 . 1 1 51 51 ALA CB C 13 19.45 0.81 . 1 . . . . 46 ALA CB . 7365 1 457 . 1 1 51 51 ALA N N 15 125.36 0.60 . 1 . . . . 46 ALA N . 7365 1 458 . 1 1 52 52 SER H H 1 8.36 0.11 . 1 . . . . 47 SER H . 7365 1 459 . 1 1 52 52 SER HA H 1 4.73 0.11 . 1 . . . . 47 SER HA . 7365 1 460 . 1 1 52 52 SER HB2 H 1 3.81 0.11 . 1 . . . . 47 SER HB2 . 7365 1 461 . 1 1 52 52 SER HB3 H 1 3.88 0.11 . 1 . . . . 47 SER HB3 . 7365 1 462 . 1 1 52 52 SER CA C 13 56.52 0.81 . 1 . . . . 47 SER CA . 7365 1 463 . 1 1 52 52 SER CB C 13 63.46 0.81 . 1 . . . . 47 SER CB . 7365 1 464 . 1 1 52 52 SER N N 15 117.20 0.60 . 1 . . . . 47 SER N . 7365 1 465 . 1 1 53 53 PRO HA H 1 4.49 0.11 . 1 . . . . 48 PRO HA . 7365 1 466 . 1 1 53 53 PRO HB2 H 1 2.00 0.11 . 1 . . . . 48 PRO HB2 . 7365 1 467 . 1 1 53 53 PRO HB3 H 1 2.33 0.11 . 1 . . . . 48 PRO HB3 . 7365 1 468 . 1 1 53 53 PRO HD2 H 1 3.71 0.11 . 1 . . . . 48 PRO HD2 . 7365 1 469 . 1 1 53 53 PRO HD3 H 1 3.80 0.11 . 1 . . . . 48 PRO HD3 . 7365 1 470 . 1 1 53 53 PRO HG2 H 1 2.01 0.11 . 2 . . . . 48 PRO HG2 . 7365 1 471 . 1 1 53 53 PRO HG3 H 1 2.01 0.11 . 2 . . . . 48 PRO HG3 . 7365 1 472 . 1 1 53 53 PRO CA C 13 63.45 0.81 . 1 . . . . 48 PRO CA . 7365 1 473 . 1 1 53 53 PRO CB C 13 32.28 0.81 . 1 . . . . 48 PRO CB . 7365 1 474 . 1 1 53 53 PRO CD C 13 50.92 0.81 . 1 . . . . 48 PRO CD . 7365 1 475 . 1 1 53 53 PRO CG C 13 27.47 0.81 . 1 . . . . 48 PRO CG . 7365 1 476 . 1 1 54 54 SER H H 1 8.42 0.11 . 1 . . . . 49 SER H . 7365 1 477 . 1 1 54 54 SER HA H 1 4.44 0.11 . 1 . . . . 49 SER HA . 7365 1 478 . 1 1 54 54 SER HB2 H 1 3.87 0.11 . 2 . . . . 49 SER HB2 . 7365 1 479 . 1 1 54 54 SER HB3 H 1 3.87 0.11 . 2 . . . . 49 SER HB3 . 7365 1 480 . 1 1 54 54 SER CA C 13 58.49 0.81 . 1 . . . . 49 SER CA . 7365 1 481 . 1 1 54 54 SER CB C 13 63.99 0.81 . 1 . . . . 49 SER CB . 7365 1 482 . 1 1 54 54 SER N N 15 116.68 0.60 . 1 . . . . 49 SER N . 7365 1 483 . 1 1 55 55 GLN H H 1 7.99 0.11 . 1 . . . . 50 GLN H . 7365 1 484 . 1 1 55 55 GLN HA H 1 4.20 0.11 . 1 . . . . 50 GLN HA . 7365 1 485 . 1 1 55 55 GLN HB2 H 1 1.95 0.11 . 1 . . . . 50 GLN HB2 . 7365 1 486 . 1 1 55 55 GLN HB3 H 1 2.14 0.11 . 1 . . . . 50 GLN HB3 . 7365 1 487 . 1 1 55 55 GLN HE21 H 1 6.83 0.11 . 1 . . . . 50 GLN HE21 . 7365 1 488 . 1 1 55 55 GLN HE22 H 1 7.55 0.11 . 1 . . . . 50 GLN HE22 . 7365 1 489 . 1 1 55 55 GLN HG2 H 1 2.30 0.11 . 2 . . . . 50 GLN HG2 . 7365 1 490 . 1 1 55 55 GLN HG3 H 1 2.30 0.11 . 2 . . . . 50 GLN HG3 . 7365 1 491 . 1 1 55 55 GLN CA C 13 57.54 0.81 . 1 . . . . 50 GLN CA . 7365 1 492 . 1 1 55 55 GLN CB C 13 30.72 0.81 . 1 . . . . 50 GLN CB . 7365 1 493 . 1 1 55 55 GLN N N 15 126.91 0.60 . 1 . . . . 50 GLN N . 7365 1 494 . 1 1 55 55 GLN NE2 N 15 112.40 0.60 . 1 . . . . 50 GLN NE2 . 7365 1 stop_ save_