data_15550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15550 _Entry.Title ; Solution structure of hPCIF1 WW domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-09 _Entry.Accession_date 2007-11-09 _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 3.0.8.109 _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 Takahide Kouno . . . 15550 2 Yu Iwamoto . . . 15550 3 Yutaka Hirose . . . 15550 4 Tomoyasu Aizawa . . . 15550 5 Makoto Demura . . . 15550 6 Keiichi Kawano . . . 15550 7 Yoshiaki Ohkuma . . . 15550 8 Mineyuki Mizuguchi . . . 15550 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 . 'not applicable' 'not applicable' . 15550 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha-helix . 15550 'protein fragment' . 15550 'triple-standed beta-sheet' . 15550 'WW domain' . 15550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 15550 '15N chemical shifts' 52 15550 '1H chemical shifts' 336 15550 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 2007-11-09 original author . 15550 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JX8 'BMRB Entry Tracking System' 15550 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15550 _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 '1H, 13C, and 15N resonance assignments of hPCIF1 WW domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _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 Takahide Kouno . . . 15550 1 2 Yu Iwamoto . . . 15550 1 3 Yutaka Hirose . . . 15550 1 4 Tomoyasu Aizawa . . . 15550 1 5 Makoto Demura . . . 15550 1 6 Keiichi Kawano . . . 15550 1 7 Yoshiaki Ohkuma . . . 15550 1 8 Mineyuki Mizuguchi . . . 15550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15550 _Assembly.ID 1 _Assembly.Name 'hPCIF1 WW domain monomer' _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 'chain A' 1 $hPCIF1_WW_domain A . yes native no no . . . 15550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPCIF1_WW_domain _Entity.Sf_category entity _Entity.Sf_framecode hPCIF1_WW_domain _Entity.Entry_ID 15550 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hPCIF1_WW_domain _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 ; LPEELVHAGWEKCWSRRENR PYYFNRFTNQSLWEMPVLGQ HDVISDP ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5743.482 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JX8 . "Solution Structure Of Hpcif1 Ww Domain" . . . . . 100.00 52 100.00 100.00 1.38e-26 . . . . 15550 1 2 no DBJ BAC45238 . "posphorylated CTD interacting factor PCIF1 [Homo sapiens]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 3 no DBJ BAG11416 . "phosphorylated CTD-interacting factor 1 [synthetic construct]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 4 no DBJ BAH13031 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 710 100.00 100.00 1.72e-24 . . . . 15550 1 5 no EMBL CAH93090 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 468 100.00 100.00 2.97e-25 . . . . 15550 1 6 no GB AAH10005 . "PDX1 C-terminal inhibiting factor 1 [Homo sapiens]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 7 no GB AAH13365 . "PDX1 C-terminal inhibiting factor 1 [Homo sapiens]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 8 no GB AAI49976 . "LOC535479 protein [Bos taurus]" . . . . . 100.00 645 100.00 100.00 1.70e-24 . . . . 15550 1 9 no GB ACE87073 . "chromosome 20 open reading frame 67 protein [synthetic construct]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 10 no GB ACE87754 . "chromosome 20 open reading frame 67 protein [synthetic construct]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 11 no PIR JC7932 . "phosphorylated carboxy-terminal domain (CTD) interacting factor 1, PCIF1 protein - Human" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 12 no REF NP_001096569 . "phosphorylated CTD-interacting factor 1 [Bos taurus]" . . . . . 100.00 645 100.00 100.00 1.70e-24 . . . . 15550 1 13 no REF NP_001126830 . "phosphorylated CTD-interacting factor 1 [Pongo abelii]" . . . . . 100.00 468 100.00 100.00 2.97e-25 . . . . 15550 1 14 no REF NP_071387 . "phosphorylated CTD-interacting factor 1 [Homo sapiens]" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 15 no REF XP_001105396 . "PREDICTED: phosphorylated CTD-interacting factor 1-like isoform 2 [Macaca mulatta]" . . . . . 100.00 627 100.00 100.00 9.83e-25 . . . . 15550 1 16 no REF XP_001503426 . "PREDICTED: phosphorylated CTD-interacting factor 1 isoform X1 [Equus caballus]" . . . . . 100.00 704 100.00 100.00 1.87e-24 . . . . 15550 1 17 no SP Q9H4Z3 . "RecName: Full=Phosphorylated CTD-interacting factor 1" . . . . . 100.00 704 100.00 100.00 1.63e-24 . . . . 15550 1 18 no TPG DAA23280 . "TPA: phosphorylated CTD interacting factor 1 [Bos taurus]" . . . . . 100.00 645 100.00 100.00 1.75e-24 . . . . 15550 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 . LEU . 15550 1 2 . PRO . 15550 1 3 . GLU . 15550 1 4 . GLU . 15550 1 5 . LEU . 15550 1 6 . VAL . 15550 1 7 . HIS . 15550 1 8 . ALA . 15550 1 9 . GLY . 15550 1 10 . TRP . 15550 1 11 . GLU . 15550 1 12 . LYS . 15550 1 13 . CYS . 15550 1 14 . TRP . 15550 1 15 . SER . 15550 1 16 . ARG . 15550 1 17 . ARG . 15550 1 18 . GLU . 15550 1 19 . ASN . 15550 1 20 . ARG . 15550 1 21 . PRO . 15550 1 22 . TYR . 15550 1 23 . TYR . 15550 1 24 . PHE . 15550 1 25 . ASN . 15550 1 26 . ARG . 15550 1 27 . PHE . 15550 1 28 . THR . 15550 1 29 . ASN . 15550 1 30 . GLN . 15550 1 31 . SER . 15550 1 32 . LEU . 15550 1 33 . TRP . 15550 1 34 . GLU . 15550 1 35 . MET . 15550 1 36 . PRO . 15550 1 37 . VAL . 15550 1 38 . LEU . 15550 1 39 . GLY . 15550 1 40 . GLN . 15550 1 41 . HIS . 15550 1 42 . ASP . 15550 1 43 . VAL . 15550 1 44 . ILE . 15550 1 45 . SER . 15550 1 46 . ASP . 15550 1 47 . PRO . 15550 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 . LEU 1 1 15550 1 . PRO 2 2 15550 1 . GLU 3 3 15550 1 . GLU 4 4 15550 1 . LEU 5 5 15550 1 . VAL 6 6 15550 1 . HIS 7 7 15550 1 . ALA 8 8 15550 1 . GLY 9 9 15550 1 . TRP 10 10 15550 1 . GLU 11 11 15550 1 . LYS 12 12 15550 1 . CYS 13 13 15550 1 . TRP 14 14 15550 1 . SER 15 15 15550 1 . ARG 16 16 15550 1 . ARG 17 17 15550 1 . GLU 18 18 15550 1 . ASN 19 19 15550 1 . ARG 20 20 15550 1 . PRO 21 21 15550 1 . TYR 22 22 15550 1 . TYR 23 23 15550 1 . PHE 24 24 15550 1 . ASN 25 25 15550 1 . ARG 26 26 15550 1 . PHE 27 27 15550 1 . THR 28 28 15550 1 . ASN 29 29 15550 1 . GLN 30 30 15550 1 . SER 31 31 15550 1 . LEU 32 32 15550 1 . TRP 33 33 15550 1 . GLU 34 34 15550 1 . MET 35 35 15550 1 . PRO 36 36 15550 1 . VAL 37 37 15550 1 . LEU 38 38 15550 1 . GLY 39 39 15550 1 . GLN 40 40 15550 1 . HIS 41 41 15550 1 . ASP 42 42 15550 1 . VAL 43 43 15550 1 . ILE 44 44 15550 1 . SER 45 45 15550 1 . ASP 46 46 15550 1 . PRO 47 47 15550 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 15550 _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 $hPCIF1_WW_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15550 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 15550 _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 $hPCIF1_WW_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-6P-1 . . . . . . 15550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15550 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hPCIF1 WW domain' [U-15N] . . 1 $hPCIF1_WW_domain . . 0.6 . . mM . . . . 15550 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 15550 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15550 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15550 _Sample.ID 2 _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 'hPCIF1 WW domain' '[U-13C; U-15N]' . . 1 $hPCIF1_WW_domain . . 0.6 . . mM . . . . 15550 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 2 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 15550 2 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15550 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15550 _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 'hPCIF1 WW domain' 'natural abundance' . . 1 $hPCIF1_WW_domain . . 0.6 . . mM . . . . 15550 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 3 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 15550 3 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15550 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15550 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hPCIF1 WW domain' '[U-13C; U-15N]' . . 1 $hPCIF1_WW_domain . . 0.6 . . mM . . . . 15550 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 4 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15550 4 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 15550 4 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15550 4 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 15550 _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 15550 1 pressure 1 . atm 15550 1 temperature 298 . K 15550 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15550 _Software.ID 1 _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' . . 15550 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15550 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15550 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15550 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15550 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 15550 _Software.ID 3 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 15550 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15550 3 'structure solution' 15550 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15550 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15550 _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 . . . 15550 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 15550 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 2 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 5 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 7 '3D C(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 9 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15550 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 15550 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15550 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15550 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15550 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 15550 _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 5 '3D HNCA' . . . 15550 1 6 '3D CBCA(CO)NH' . . . 15550 1 7 '3D C(CO)NH' . . . 15550 1 8 '3D HBHA(CO)NH' . . . 15550 1 9 '3D HNCO' . . . 15550 1 10 '3D HCCH-COSY' . . . 15550 1 11 '3D HCCH-TOCSY' . . . 15550 1 12 '2D 1H-1H TOCSY' . . . 15550 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU H H 1 8.50 0.09 . 1 . . . . 1 LEU H . 15550 1 2 . 1 1 1 1 LEU HA H 1 4.65 0.09 . 1 . . . . 1 LEU HA . 15550 1 3 . 1 1 1 1 LEU HB2 H 1 1.67 0.09 . 1 . . . . 1 LEU HB2 . 15550 1 4 . 1 1 1 1 LEU HB3 H 1 1.46 0.09 . 1 . . . . 1 LEU HB3 . 15550 1 5 . 1 1 1 1 LEU HD11 H 1 0.97 0.09 . 1 . . . . 1 LEU HD1 . 15550 1 6 . 1 1 1 1 LEU HD12 H 1 0.97 0.09 . 1 . . . . 1 LEU HD1 . 15550 1 7 . 1 1 1 1 LEU HD13 H 1 0.97 0.09 . 1 . . . . 1 LEU HD1 . 15550 1 8 . 1 1 1 1 LEU HD21 H 1 0.94 0.09 . 1 . . . . 1 LEU HD2 . 15550 1 9 . 1 1 1 1 LEU HD22 H 1 0.94 0.09 . 1 . . . . 1 LEU HD2 . 15550 1 10 . 1 1 1 1 LEU HD23 H 1 0.94 0.09 . 1 . . . . 1 LEU HD2 . 15550 1 11 . 1 1 1 1 LEU HG H 1 1.82 0.09 . 1 . . . . 1 LEU HG . 15550 1 12 . 1 1 1 1 LEU C C 13 174.41 0.60 . 1 . . . . 1 LEU C . 15550 1 13 . 1 1 1 1 LEU CA C 13 52.99 0.60 . 1 . . . . 1 LEU CA . 15550 1 14 . 1 1 1 1 LEU CB C 13 43.20 0.60 . 1 . . . . 1 LEU CB . 15550 1 15 . 1 1 1 1 LEU CD1 C 13 26.31 0.60 . 1 . . . . 1 LEU CD1 . 15550 1 16 . 1 1 1 1 LEU CD2 C 13 24.86 0.60 . 1 . . . . 1 LEU CD2 . 15550 1 17 . 1 1 1 1 LEU CG C 13 27.19 0.60 . 1 . . . . 1 LEU CG . 15550 1 18 . 1 1 1 1 LEU N N 15 123.83 0.54 . 1 . . . . 1 LEU N . 15550 1 19 . 1 1 2 2 PRO HA H 1 4.50 0.09 . 1 . . . . 2 PRO HA . 15550 1 20 . 1 1 2 2 PRO HB2 H 1 1.92 0.09 . 1 . . . . 2 PRO HB2 . 15550 1 21 . 1 1 2 2 PRO HB3 H 1 2.55 0.09 . 1 . . . . 2 PRO HB3 . 15550 1 22 . 1 1 2 2 PRO HD2 H 1 3.52 0.09 . 1 . . . . 2 PRO HD2 . 15550 1 23 . 1 1 2 2 PRO HD3 H 1 4.03 0.09 . 1 . . . . 2 PRO HD3 . 15550 1 24 . 1 1 2 2 PRO HG2 H 1 2.06 0.09 . 1 . . . . 2 PRO HG2 . 15550 1 25 . 1 1 2 2 PRO HG3 H 1 2.13 0.09 . 1 . . . . 2 PRO HG3 . 15550 1 26 . 1 1 2 2 PRO C C 13 178.01 0.60 . 1 . . . . 2 PRO C . 15550 1 27 . 1 1 2 2 PRO CA C 13 62.85 0.60 . 1 . . . . 2 PRO CA . 15550 1 28 . 1 1 2 2 PRO CB C 13 32.73 0.60 . 1 . . . . 2 PRO CB . 15550 1 29 . 1 1 2 2 PRO CD C 13 51.02 0.60 . 1 . . . . 2 PRO CD . 15550 1 30 . 1 1 2 2 PRO CG C 13 27.94 0.60 . 1 . . . . 2 PRO CG . 15550 1 31 . 1 1 3 3 GLU H H 1 9.12 0.09 . 1 . . . . 3 GLU H . 15550 1 32 . 1 1 3 3 GLU HA H 1 3.89 0.09 . 1 . . . . 3 GLU HA . 15550 1 33 . 1 1 3 3 GLU HB2 H 1 2.08 0.09 . 1 . . . . 3 GLU HB2 . 15550 1 34 . 1 1 3 3 GLU HB3 H 1 1.97 0.09 . 1 . . . . 3 GLU HB3 . 15550 1 35 . 1 1 3 3 GLU HG2 H 1 2.29 0.09 . 1 . . . . 3 GLU HG2 . 15550 1 36 . 1 1 3 3 GLU HG3 H 1 2.29 0.09 . 1 . . . . 3 GLU HG3 . 15550 1 37 . 1 1 3 3 GLU C C 13 177.92 0.60 . 1 . . . . 3 GLU C . 15550 1 38 . 1 1 3 3 GLU CA C 13 60.00 0.60 . 1 . . . . 3 GLU CA . 15550 1 39 . 1 1 3 3 GLU CB C 13 29.57 0.60 . 1 . . . . 3 GLU CB . 15550 1 40 . 1 1 3 3 GLU CG C 13 36.28 0.60 . 1 . . . . 3 GLU CG . 15550 1 41 . 1 1 3 3 GLU N N 15 125.62 0.54 . 1 . . . . 3 GLU N . 15550 1 42 . 1 1 4 4 GLU H H 1 9.67 0.09 . 1 . . . . 4 GLU H . 15550 1 43 . 1 1 4 4 GLU HA H 1 4.16 0.09 . 1 . . . . 4 GLU HA . 15550 1 44 . 1 1 4 4 GLU HB2 H 1 2.03 0.09 . 1 . . . . 4 GLU HB2 . 15550 1 45 . 1 1 4 4 GLU HB3 H 1 2.03 0.09 . 1 . . . . 4 GLU HB3 . 15550 1 46 . 1 1 4 4 GLU HG2 H 1 2.35 0.09 . 1 . . . . 4 GLU HG2 . 15550 1 47 . 1 1 4 4 GLU HG3 H 1 2.35 0.09 . 1 . . . . 4 GLU HG3 . 15550 1 48 . 1 1 4 4 GLU C C 13 179.75 0.60 . 1 . . . . 4 GLU C . 15550 1 49 . 1 1 4 4 GLU CA C 13 59.84 0.60 . 1 . . . . 4 GLU CA . 15550 1 50 . 1 1 4 4 GLU CB C 13 28.83 0.60 . 1 . . . . 4 GLU CB . 15550 1 51 . 1 1 4 4 GLU CG C 13 36.39 0.60 . 1 . . . . 4 GLU CG . 15550 1 52 . 1 1 4 4 GLU N N 15 117.78 0.54 . 1 . . . . 4 GLU N . 15550 1 53 . 1 1 5 5 LEU H H 1 7.41 0.09 . 1 . . . . 5 LEU H . 15550 1 54 . 1 1 5 5 LEU HA H 1 4.46 0.09 . 1 . . . . 5 LEU HA . 15550 1 55 . 1 1 5 5 LEU HB2 H 1 1.96 0.09 . 1 . . . . 5 LEU HB2 . 15550 1 56 . 1 1 5 5 LEU HB3 H 1 1.45 0.09 . 1 . . . . 5 LEU HB3 . 15550 1 57 . 1 1 5 5 LEU HD11 H 1 0.68 0.09 . 1 . . . . 5 LEU HD1 . 15550 1 58 . 1 1 5 5 LEU HD12 H 1 0.68 0.09 . 1 . . . . 5 LEU HD1 . 15550 1 59 . 1 1 5 5 LEU HD13 H 1 0.68 0.09 . 1 . . . . 5 LEU HD1 . 15550 1 60 . 1 1 5 5 LEU HD21 H 1 0.64 0.09 . 1 . . . . 5 LEU HD2 . 15550 1 61 . 1 1 5 5 LEU HD22 H 1 0.64 0.09 . 1 . . . . 5 LEU HD2 . 15550 1 62 . 1 1 5 5 LEU HD23 H 1 0.64 0.09 . 1 . . . . 5 LEU HD2 . 15550 1 63 . 1 1 5 5 LEU HG H 1 1.62 0.09 . 1 . . . . 5 LEU HG . 15550 1 64 . 1 1 5 5 LEU C C 13 179.24 0.60 . 1 . . . . 5 LEU C . 15550 1 65 . 1 1 5 5 LEU CA C 13 57.25 0.60 . 1 . . . . 5 LEU CA . 15550 1 66 . 1 1 5 5 LEU CB C 13 41.53 0.60 . 1 . . . . 5 LEU CB . 15550 1 67 . 1 1 5 5 LEU CD1 C 13 25.95 0.60 . 1 . . . . 5 LEU CD1 . 15550 1 68 . 1 1 5 5 LEU CD2 C 13 23.18 0.60 . 1 . . . . 5 LEU CD2 . 15550 1 69 . 1 1 5 5 LEU CG C 13 28.11 0.60 . 1 . . . . 5 LEU CG . 15550 1 70 . 1 1 5 5 LEU N N 15 118.03 0.54 . 1 . . . . 5 LEU N . 15550 1 71 . 1 1 6 6 VAL H H 1 7.76 0.09 . 1 . . . . 6 VAL H . 15550 1 72 . 1 1 6 6 VAL HA H 1 4.18 0.09 . 1 . . . . 6 VAL HA . 15550 1 73 . 1 1 6 6 VAL HB H 1 2.23 0.09 . 1 . . . . 6 VAL HB . 15550 1 74 . 1 1 6 6 VAL HG11 H 1 1.06 0.09 . 1 . . . . 6 VAL HG1 . 15550 1 75 . 1 1 6 6 VAL HG12 H 1 1.06 0.09 . 1 . . . . 6 VAL HG1 . 15550 1 76 . 1 1 6 6 VAL HG13 H 1 1.06 0.09 . 1 . . . . 6 VAL HG1 . 15550 1 77 . 1 1 6 6 VAL HG21 H 1 1.08 0.09 . 1 . . . . 6 VAL HG2 . 15550 1 78 . 1 1 6 6 VAL HG22 H 1 1.08 0.09 . 1 . . . . 6 VAL HG2 . 15550 1 79 . 1 1 6 6 VAL HG23 H 1 1.08 0.09 . 1 . . . . 6 VAL HG2 . 15550 1 80 . 1 1 6 6 VAL C C 13 181.94 0.60 . 1 . . . . 6 VAL C . 15550 1 81 . 1 1 6 6 VAL CA C 13 66.36 0.60 . 1 . . . . 6 VAL CA . 15550 1 82 . 1 1 6 6 VAL CB C 13 31.82 0.60 . 1 . . . . 6 VAL CB . 15550 1 83 . 1 1 6 6 VAL CG1 C 13 20.98 0.60 . 1 . . . . 6 VAL CG1 . 15550 1 84 . 1 1 6 6 VAL CG2 C 13 22.83 0.60 . 1 . . . . 6 VAL CG2 . 15550 1 85 . 1 1 6 6 VAL N N 15 123.61 0.54 . 1 . . . . 6 VAL N . 15550 1 86 . 1 1 7 7 HIS H H 1 8.87 0.09 . 1 . . . . 7 HIS H . 15550 1 87 . 1 1 7 7 HIS HA H 1 4.53 0.09 . 1 . . . . 7 HIS HA . 15550 1 88 . 1 1 7 7 HIS HB2 H 1 3.30 0.09 . 1 . . . . 7 HIS HB2 . 15550 1 89 . 1 1 7 7 HIS HB3 H 1 3.30 0.09 . 1 . . . . 7 HIS HB3 . 15550 1 90 . 1 1 7 7 HIS HD2 H 1 7.16 0.09 . 1 . . . . 7 HIS HD2 . 15550 1 91 . 1 1 7 7 HIS HE1 H 1 8.08 0.09 . 1 . . . . 7 HIS HE1 . 15550 1 92 . 1 1 7 7 HIS C C 13 175.98 0.60 . 1 . . . . 7 HIS C . 15550 1 93 . 1 1 7 7 HIS CA C 13 58.38 0.60 . 1 . . . . 7 HIS CA . 15550 1 94 . 1 1 7 7 HIS CB C 13 29.39 0.60 . 1 . . . . 7 HIS CB . 15550 1 95 . 1 1 7 7 HIS N N 15 120.18 0.54 . 1 . . . . 7 HIS N . 15550 1 96 . 1 1 8 8 ALA H H 1 7.29 0.09 . 1 . . . . 8 ALA H . 15550 1 97 . 1 1 8 8 ALA HA H 1 4.56 0.09 . 1 . . . . 8 ALA HA . 15550 1 98 . 1 1 8 8 ALA HB1 H 1 1.82 0.09 . 1 . . . . 8 ALA HB . 15550 1 99 . 1 1 8 8 ALA HB2 H 1 1.82 0.09 . 1 . . . . 8 ALA HB . 15550 1 100 . 1 1 8 8 ALA HB3 H 1 1.82 0.09 . 1 . . . . 8 ALA HB . 15550 1 101 . 1 1 8 8 ALA C C 13 176.85 0.60 . 1 . . . . 8 ALA C . 15550 1 102 . 1 1 8 8 ALA CA C 13 52.27 0.60 . 1 . . . . 8 ALA CA . 15550 1 103 . 1 1 8 8 ALA CB C 13 19.43 0.60 . 1 . . . . 8 ALA CB . 15550 1 104 . 1 1 8 8 ALA N N 15 118.73 0.54 . 1 . . . . 8 ALA N . 15550 1 105 . 1 1 9 9 GLY H H 1 7.89 0.09 . 1 . . . . 9 GLY H . 15550 1 106 . 1 1 9 9 GLY HA2 H 1 3.27 0.09 . 1 . . . . 9 GLY HA2 . 15550 1 107 . 1 1 9 9 GLY HA3 H 1 4.05 0.09 . 1 . . . . 9 GLY HA3 . 15550 1 108 . 1 1 9 9 GLY C C 13 173.62 0.60 . 1 . . . . 9 GLY C . 15550 1 109 . 1 1 9 9 GLY CA C 13 45.45 0.60 . 1 . . . . 9 GLY CA . 15550 1 110 . 1 1 9 9 GLY N N 15 106.20 0.54 . 1 . . . . 9 GLY N . 15550 1 111 . 1 1 10 10 TRP H H 1 7.94 0.09 . 1 . . . . 10 TRP H . 15550 1 112 . 1 1 10 10 TRP HA H 1 4.94 0.09 . 1 . . . . 10 TRP HA . 15550 1 113 . 1 1 10 10 TRP HB2 H 1 2.86 0.09 . 1 . . . . 10 TRP HB2 . 15550 1 114 . 1 1 10 10 TRP HB3 H 1 2.95 0.09 . 1 . . . . 10 TRP HB3 . 15550 1 115 . 1 1 10 10 TRP HD1 H 1 7.49 0.09 . 1 . . . . 10 TRP HD1 . 15550 1 116 . 1 1 10 10 TRP HE1 H 1 10.83 0.09 . 1 . . . . 10 TRP HE1 . 15550 1 117 . 1 1 10 10 TRP HE3 H 1 7.37 0.09 . 1 . . . . 10 TRP HE3 . 15550 1 118 . 1 1 10 10 TRP HH2 H 1 7.01 0.09 . 1 . . . . 10 TRP HH2 . 15550 1 119 . 1 1 10 10 TRP HZ2 H 1 7.49 0.09 . 1 . . . . 10 TRP HZ2 . 15550 1 120 . 1 1 10 10 TRP HZ3 H 1 6.99 0.09 . 1 . . . . 10 TRP HZ3 . 15550 1 121 . 1 1 10 10 TRP C C 13 175.77 0.60 . 1 . . . . 10 TRP C . 15550 1 122 . 1 1 10 10 TRP CA C 13 57.82 0.60 . 1 . . . . 10 TRP CA . 15550 1 123 . 1 1 10 10 TRP CB C 13 30.77 0.60 . 1 . . . . 10 TRP CB . 15550 1 124 . 1 1 10 10 TRP N N 15 120.26 0.54 . 1 . . . . 10 TRP N . 15550 1 125 . 1 1 10 10 TRP NE1 N 15 128.97 0.54 . 1 . . . . 10 TRP NE1 . 15550 1 126 . 1 1 11 11 GLU H H 1 9.37 0.09 . 1 . . . . 11 GLU H . 15550 1 127 . 1 1 11 11 GLU HA H 1 4.76 0.09 . 1 . . . . 11 GLU HA . 15550 1 128 . 1 1 11 11 GLU HB2 H 1 2.08 0.09 . 1 . . . . 11 GLU HB2 . 15550 1 129 . 1 1 11 11 GLU HB3 H 1 2.08 0.09 . 1 . . . . 11 GLU HB3 . 15550 1 130 . 1 1 11 11 GLU HG2 H 1 2.19 0.09 . 1 . . . . 11 GLU HG2 . 15550 1 131 . 1 1 11 11 GLU HG3 H 1 2.38 0.09 . 1 . . . . 11 GLU HG3 . 15550 1 132 . 1 1 11 11 GLU C C 13 174.19 0.60 . 1 . . . . 11 GLU C . 15550 1 133 . 1 1 11 11 GLU CA C 13 54.67 0.60 . 1 . . . . 11 GLU CA . 15550 1 134 . 1 1 11 11 GLU CB C 13 34.10 0.60 . 1 . . . . 11 GLU CB . 15550 1 135 . 1 1 11 11 GLU CG C 13 36.07 0.60 . 1 . . . . 11 GLU CG . 15550 1 136 . 1 1 11 11 GLU N N 15 119.87 0.54 . 1 . . . . 11 GLU N . 15550 1 137 . 1 1 12 12 LYS H H 1 8.99 0.09 . 1 . . . . 12 LYS H . 15550 1 138 . 1 1 12 12 LYS HA H 1 4.60 0.09 . 1 . . . . 12 LYS HA . 15550 1 139 . 1 1 12 12 LYS HB2 H 1 1.56 0.09 . 1 . . . . 12 LYS HB2 . 15550 1 140 . 1 1 12 12 LYS HB3 H 1 1.94 0.09 . 1 . . . . 12 LYS HB3 . 15550 1 141 . 1 1 12 12 LYS HD2 H 1 1.72 0.09 . 1 . . . . 12 LYS HD2 . 15550 1 142 . 1 1 12 12 LYS HD3 H 1 1.72 0.09 . 1 . . . . 12 LYS HD3 . 15550 1 143 . 1 1 12 12 LYS HE2 H 1 2.92 0.09 . 1 . . . . 12 LYS HE2 . 15550 1 144 . 1 1 12 12 LYS HE3 H 1 2.92 0.09 . 1 . . . . 12 LYS HE3 . 15550 1 145 . 1 1 12 12 LYS HG2 H 1 1.00 0.09 . 1 . . . . 12 LYS HG2 . 15550 1 146 . 1 1 12 12 LYS HG3 H 1 1.24 0.09 . 1 . . . . 12 LYS HG3 . 15550 1 147 . 1 1 12 12 LYS C C 13 175.70 0.60 . 1 . . . . 12 LYS C . 15550 1 148 . 1 1 12 12 LYS CA C 13 56.04 0.60 . 1 . . . . 12 LYS CA . 15550 1 149 . 1 1 12 12 LYS CB C 13 34.25 0.60 . 1 . . . . 12 LYS CB . 15550 1 150 . 1 1 12 12 LYS CD C 13 30.01 0.60 . 1 . . . . 12 LYS CD . 15550 1 151 . 1 1 12 12 LYS CE C 13 41.84 0.60 . 1 . . . . 12 LYS CE . 15550 1 152 . 1 1 12 12 LYS CG C 13 25.29 0.60 . 1 . . . . 12 LYS CG . 15550 1 153 . 1 1 12 12 LYS N N 15 124.86 0.54 . 1 . . . . 12 LYS N . 15550 1 154 . 1 1 13 13 CYS H H 1 8.83 0.09 . 1 . . . . 13 CYS H . 15550 1 155 . 1 1 13 13 CYS HA H 1 4.56 0.09 . 1 . . . . 13 CYS HA . 15550 1 156 . 1 1 13 13 CYS HB2 H 1 0.64 0.09 . 1 . . . . 13 CYS HB2 . 15550 1 157 . 1 1 13 13 CYS HB3 H 1 2.40 0.09 . 1 . . . . 13 CYS HB3 . 15550 1 158 . 1 1 13 13 CYS C C 13 172.38 0.60 . 1 . . . . 13 CYS C . 15550 1 159 . 1 1 13 13 CYS CA C 13 56.96 0.60 . 1 . . . . 13 CYS CA . 15550 1 160 . 1 1 13 13 CYS CB C 13 30.77 0.60 . 1 . . . . 13 CYS CB . 15550 1 161 . 1 1 13 13 CYS N N 15 126.99 0.54 . 1 . . . . 13 CYS N . 15550 1 162 . 1 1 14 14 TRP H H 1 8.77 0.09 . 1 . . . . 14 TRP H . 15550 1 163 . 1 1 14 14 TRP HA H 1 4.79 0.09 . 1 . . . . 14 TRP HA . 15550 1 164 . 1 1 14 14 TRP HB2 H 1 3.04 0.09 . 1 . . . . 14 TRP HB2 . 15550 1 165 . 1 1 14 14 TRP HB3 H 1 3.09 0.09 . 1 . . . . 14 TRP HB3 . 15550 1 166 . 1 1 14 14 TRP HD1 H 1 6.84 0.09 . 1 . . . . 14 TRP HD1 . 15550 1 167 . 1 1 14 14 TRP HE1 H 1 10.28 0.09 . 1 . . . . 14 TRP HE1 . 15550 1 168 . 1 1 14 14 TRP HE3 H 1 7.41 0.09 . 1 . . . . 14 TRP HE3 . 15550 1 169 . 1 1 14 14 TRP HH2 H 1 7.12 0.09 . 1 . . . . 14 TRP HH2 . 15550 1 170 . 1 1 14 14 TRP HZ2 H 1 7.42 0.09 . 1 . . . . 14 TRP HZ2 . 15550 1 171 . 1 1 14 14 TRP HZ3 H 1 7.05 0.09 . 1 . . . . 14 TRP HZ3 . 15550 1 172 . 1 1 14 14 TRP C C 13 175.70 0.60 . 1 . . . . 14 TRP C . 15550 1 173 . 1 1 14 14 TRP CA C 13 56.71 0.60 . 1 . . . . 14 TRP CA . 15550 1 174 . 1 1 14 14 TRP CB C 13 31.98 0.60 . 1 . . . . 14 TRP CB . 15550 1 175 . 1 1 14 14 TRP N N 15 122.36 0.54 . 1 . . . . 14 TRP N . 15550 1 176 . 1 1 14 14 TRP NE1 N 15 129.31 0.54 . 1 . . . . 14 TRP NE1 . 15550 1 177 . 1 1 15 15 SER H H 1 8.08 0.09 . 1 . . . . 15 SER H . 15550 1 178 . 1 1 15 15 SER HA H 1 4.84 0.09 . 1 . . . . 15 SER HA . 15550 1 179 . 1 1 15 15 SER HB2 H 1 4.12 0.09 . 1 . . . . 15 SER HB2 . 15550 1 180 . 1 1 15 15 SER HB3 H 1 4.00 0.09 . 1 . . . . 15 SER HB3 . 15550 1 181 . 1 1 15 15 SER C C 13 175.04 0.60 . 1 . . . . 15 SER C . 15550 1 182 . 1 1 15 15 SER CA C 13 55.88 0.60 . 1 . . . . 15 SER CA . 15550 1 183 . 1 1 15 15 SER CB C 13 63.04 0.60 . 1 . . . . 15 SER CB . 15550 1 184 . 1 1 15 15 SER N N 15 122.16 0.54 . 1 . . . . 15 SER N . 15550 1 185 . 1 1 16 16 ARG H H 1 9.01 0.09 . 1 . . . . 16 ARG H . 15550 1 186 . 1 1 16 16 ARG HA H 1 4.27 0.09 . 1 . . . . 16 ARG HA . 15550 1 187 . 1 1 16 16 ARG HB2 H 1 1.96 0.09 . 1 . . . . 16 ARG HB2 . 15550 1 188 . 1 1 16 16 ARG HB3 H 1 1.96 0.09 . 1 . . . . 16 ARG HB3 . 15550 1 189 . 1 1 16 16 ARG HD2 H 1 3.28 0.09 . 1 . . . . 16 ARG HD2 . 15550 1 190 . 1 1 16 16 ARG HD3 H 1 3.28 0.09 . 1 . . . . 16 ARG HD3 . 15550 1 191 . 1 1 16 16 ARG HG2 H 1 1.79 0.09 . 1 . . . . 16 ARG HG2 . 15550 1 192 . 1 1 16 16 ARG HG3 H 1 1.92 0.09 . 1 . . . . 16 ARG HG3 . 15550 1 193 . 1 1 16 16 ARG C C 13 178.41 0.60 . 1 . . . . 16 ARG C . 15550 1 194 . 1 1 16 16 ARG CA C 13 58.52 0.60 . 1 . . . . 16 ARG CA . 15550 1 195 . 1 1 16 16 ARG CB C 13 29.98 0.60 . 1 . . . . 16 ARG CB . 15550 1 196 . 1 1 16 16 ARG CD C 13 43.26 0.60 . 1 . . . . 16 ARG CD . 15550 1 197 . 1 1 16 16 ARG CG C 13 27.69 0.60 . 1 . . . . 16 ARG CG . 15550 1 198 . 1 1 16 16 ARG N N 15 130.03 0.54 . 1 . . . . 16 ARG N . 15550 1 199 . 1 1 17 17 ARG H H 1 8.31 0.09 . 1 . . . . 17 ARG H . 15550 1 200 . 1 1 17 17 ARG HA H 1 4.07 0.09 . 1 . . . . 17 ARG HA . 15550 1 201 . 1 1 17 17 ARG HB2 H 1 1.66 0.09 . 1 . . . . 17 ARG HB2 . 15550 1 202 . 1 1 17 17 ARG HB3 H 1 1.85 0.09 . 1 . . . . 17 ARG HB3 . 15550 1 203 . 1 1 17 17 ARG HD2 H 1 3.17 0.09 . 1 . . . . 17 ARG HD2 . 15550 1 204 . 1 1 17 17 ARG HD3 H 1 3.22 0.09 . 1 . . . . 17 ARG HD3 . 15550 1 205 . 1 1 17 17 ARG HG2 H 1 1.55 0.09 . 1 . . . . 17 ARG HG2 . 15550 1 206 . 1 1 17 17 ARG HG3 H 1 1.65 0.09 . 1 . . . . 17 ARG HG3 . 15550 1 207 . 1 1 17 17 ARG C C 13 177.78 0.60 . 1 . . . . 17 ARG C . 15550 1 208 . 1 1 17 17 ARG CA C 13 58.76 0.60 . 1 . . . . 17 ARG CA . 15550 1 209 . 1 1 17 17 ARG CB C 13 30.48 0.60 . 1 . . . . 17 ARG CB . 15550 1 210 . 1 1 17 17 ARG CD C 13 43.02 0.60 . 1 . . . . 17 ARG CD . 15550 1 211 . 1 1 17 17 ARG CG C 13 27.33 0.60 . 1 . . . . 17 ARG CG . 15550 1 212 . 1 1 17 17 ARG N N 15 118.67 0.54 . 1 . . . . 17 ARG N . 15550 1 213 . 1 1 18 18 GLU H H 1 7.63 0.09 . 1 . . . . 18 GLU H . 15550 1 214 . 1 1 18 18 GLU HA H 1 4.32 0.09 . 1 . . . . 18 GLU HA . 15550 1 215 . 1 1 18 18 GLU HB2 H 1 1.48 0.09 . 1 . . . . 18 GLU HB2 . 15550 1 216 . 1 1 18 18 GLU HB3 H 1 1.95 0.09 . 1 . . . . 18 GLU HB3 . 15550 1 217 . 1 1 18 18 GLU HG2 H 1 1.98 0.09 . 1 . . . . 18 GLU HG2 . 15550 1 218 . 1 1 18 18 GLU HG3 H 1 2.10 0.09 . 1 . . . . 18 GLU HG3 . 15550 1 219 . 1 1 18 18 GLU C C 13 175.43 0.60 . 1 . . . . 18 GLU C . 15550 1 220 . 1 1 18 18 GLU CA C 13 55.51 0.60 . 1 . . . . 18 GLU CA . 15550 1 221 . 1 1 18 18 GLU CB C 13 29.77 0.60 . 1 . . . . 18 GLU CB . 15550 1 222 . 1 1 18 18 GLU CG C 13 36.21 0.60 . 1 . . . . 18 GLU CG . 15550 1 223 . 1 1 18 18 GLU N N 15 113.57 0.54 . 1 . . . . 18 GLU N . 15550 1 224 . 1 1 19 19 ASN H H 1 7.96 0.09 . 1 . . . . 19 ASN H . 15550 1 225 . 1 1 19 19 ASN HA H 1 4.31 0.09 . 1 . . . . 19 ASN HA . 15550 1 226 . 1 1 19 19 ASN HB2 H 1 2.64 0.09 . 1 . . . . 19 ASN HB2 . 15550 1 227 . 1 1 19 19 ASN HB3 H 1 3.23 0.09 . 1 . . . . 19 ASN HB3 . 15550 1 228 . 1 1 19 19 ASN HD21 H 1 7.67 0.09 . 1 . . . . 19 ASN HD22 . 15550 1 229 . 1 1 19 19 ASN HD22 H 1 6.88 0.09 . 1 . . . . 19 ASN HD23 . 15550 1 230 . 1 1 19 19 ASN C C 13 173.43 0.60 . 1 . . . . 19 ASN C . 15550 1 231 . 1 1 19 19 ASN CA C 13 53.87 0.60 . 1 . . . . 19 ASN CA . 15550 1 232 . 1 1 19 19 ASN CB C 13 37.50 0.60 . 1 . . . . 19 ASN CB . 15550 1 233 . 1 1 19 19 ASN N N 15 120.09 0.54 . 1 . . . . 19 ASN N . 15550 1 234 . 1 1 19 19 ASN ND2 N 15 113.09 0.54 . 1 . . . . 19 ASN ND2 . 15550 1 235 . 1 1 20 20 ARG H H 1 6.79 0.09 . 1 . . . . 20 ARG H . 15550 1 236 . 1 1 20 20 ARG HA H 1 4.36 0.09 . 1 . . . . 20 ARG HA . 15550 1 237 . 1 1 20 20 ARG HB2 H 1 1.80 0.09 . 1 . . . . 20 ARG HB2 . 15550 1 238 . 1 1 20 20 ARG HB3 H 1 1.70 0.09 . 1 . . . . 20 ARG HB3 . 15550 1 239 . 1 1 20 20 ARG HD2 H 1 2.88 0.09 . 1 . . . . 20 ARG HD2 . 15550 1 240 . 1 1 20 20 ARG HD3 H 1 2.64 0.09 . 1 . . . . 20 ARG HD3 . 15550 1 241 . 1 1 20 20 ARG HG2 H 1 1.63 0.09 . 1 . . . . 20 ARG HG2 . 15550 1 242 . 1 1 20 20 ARG HG3 H 1 1.37 0.09 . 1 . . . . 20 ARG HG3 . 15550 1 243 . 1 1 20 20 ARG C C 13 171.83 0.60 . 1 . . . . 20 ARG C . 15550 1 244 . 1 1 20 20 ARG CA C 13 53.44 0.60 . 1 . . . . 20 ARG CA . 15550 1 245 . 1 1 20 20 ARG CB C 13 31.50 0.60 . 1 . . . . 20 ARG CB . 15550 1 246 . 1 1 20 20 ARG CD C 13 43.78 0.60 . 1 . . . . 20 ARG CD . 15550 1 247 . 1 1 20 20 ARG CG C 13 25.34 0.60 . 1 . . . . 20 ARG CG . 15550 1 248 . 1 1 20 20 ARG N N 15 113.67 0.54 . 1 . . . . 20 ARG N . 15550 1 249 . 1 1 21 21 PRO HA H 1 5.17 0.09 . 1 . . . . 21 PRO HA . 15550 1 250 . 1 1 21 21 PRO HB2 H 1 2.23 0.09 . 1 . . . . 21 PRO HB2 . 15550 1 251 . 1 1 21 21 PRO HB3 H 1 1.64 0.09 . 1 . . . . 21 PRO HB3 . 15550 1 252 . 1 1 21 21 PRO HD2 H 1 3.72 0.09 . 1 . . . . 21 PRO HD2 . 15550 1 253 . 1 1 21 21 PRO HD3 H 1 3.83 0.09 . 1 . . . . 21 PRO HD3 . 15550 1 254 . 1 1 21 21 PRO HG2 H 1 2.18 0.09 . 1 . . . . 21 PRO HG2 . 15550 1 255 . 1 1 21 21 PRO HG3 H 1 2.24 0.09 . 1 . . . . 21 PRO HG3 . 15550 1 256 . 1 1 21 21 PRO C C 13 175.43 0.60 . 1 . . . . 21 PRO C . 15550 1 257 . 1 1 21 21 PRO CA C 13 61.97 0.60 . 1 . . . . 21 PRO CA . 15550 1 258 . 1 1 21 21 PRO CB C 13 33.00 0.60 . 1 . . . . 21 PRO CB . 15550 1 259 . 1 1 21 21 PRO CD C 13 50.60 0.60 . 1 . . . . 21 PRO CD . 15550 1 260 . 1 1 21 21 PRO CG C 13 26.81 0.60 . 1 . . . . 21 PRO CG . 15550 1 261 . 1 1 22 22 TYR H H 1 8.07 0.09 . 1 . . . . 22 TYR H . 15550 1 262 . 1 1 22 22 TYR HA H 1 4.57 0.09 . 1 . . . . 22 TYR HA . 15550 1 263 . 1 1 22 22 TYR HB2 H 1 2.31 0.09 . 1 . . . . 22 TYR HB2 . 15550 1 264 . 1 1 22 22 TYR HB3 H 1 2.56 0.09 . 1 . . . . 22 TYR HB3 . 15550 1 265 . 1 1 22 22 TYR HD1 H 1 6.62 0.09 . 1 . . . . 22 TYR HD1 . 15550 1 266 . 1 1 22 22 TYR HD2 H 1 6.62 0.09 . 1 . . . . 22 TYR HD2 . 15550 1 267 . 1 1 22 22 TYR HE1 H 1 6.40 0.09 . 1 . . . . 22 TYR HE1 . 15550 1 268 . 1 1 22 22 TYR HE2 H 1 6.40 0.09 . 1 . . . . 22 TYR HE2 . 15550 1 269 . 1 1 22 22 TYR C C 13 171.12 0.60 . 1 . . . . 22 TYR C . 15550 1 270 . 1 1 22 22 TYR CA C 13 55.86 0.60 . 1 . . . . 22 TYR CA . 15550 1 271 . 1 1 22 22 TYR CB C 13 39.06 0.60 . 1 . . . . 22 TYR CB . 15550 1 272 . 1 1 22 22 TYR N N 15 114.50 0.54 . 1 . . . . 22 TYR N . 15550 1 273 . 1 1 23 23 TYR H H 1 9.24 0.09 . 1 . . . . 23 TYR H . 15550 1 274 . 1 1 23 23 TYR HA H 1 5.31 0.09 . 1 . . . . 23 TYR HA . 15550 1 275 . 1 1 23 23 TYR HB2 H 1 2.67 0.09 . 1 . . . . 23 TYR HB2 . 15550 1 276 . 1 1 23 23 TYR HB3 H 1 2.84 0.09 . 1 . . . . 23 TYR HB3 . 15550 1 277 . 1 1 23 23 TYR HD1 H 1 6.75 0.09 . 1 . . . . 23 TYR HD1 . 15550 1 278 . 1 1 23 23 TYR HD2 H 1 6.75 0.09 . 1 . . . . 23 TYR HD2 . 15550 1 279 . 1 1 23 23 TYR HE1 H 1 6.61 0.09 . 1 . . . . 23 TYR HE1 . 15550 1 280 . 1 1 23 23 TYR HE2 H 1 6.61 0.09 . 1 . . . . 23 TYR HE2 . 15550 1 281 . 1 1 23 23 TYR C C 13 174.20 0.60 . 1 . . . . 23 TYR C . 15550 1 282 . 1 1 23 23 TYR CA C 13 56.81 0.60 . 1 . . . . 23 TYR CA . 15550 1 283 . 1 1 23 23 TYR CB C 13 40.80 0.60 . 1 . . . . 23 TYR CB . 15550 1 284 . 1 1 23 23 TYR N N 15 119.08 0.54 . 1 . . . . 23 TYR N . 15550 1 285 . 1 1 24 24 PHE H H 1 9.34 0.09 . 1 . . . . 24 PHE H . 15550 1 286 . 1 1 24 24 PHE HA H 1 5.84 0.09 . 1 . . . . 24 PHE HA . 15550 1 287 . 1 1 24 24 PHE HB2 H 1 3.08 0.09 . 1 . . . . 24 PHE HB2 . 15550 1 288 . 1 1 24 24 PHE HB3 H 1 2.74 0.09 . 1 . . . . 24 PHE HB3 . 15550 1 289 . 1 1 24 24 PHE HD1 H 1 7.09 0.09 . 1 . . . . 24 PHE HD1 . 15550 1 290 . 1 1 24 24 PHE HD2 H 1 7.09 0.09 . 1 . . . . 24 PHE HD2 . 15550 1 291 . 1 1 24 24 PHE HE1 H 1 7.09 0.09 . 1 . . . . 24 PHE HE1 . 15550 1 292 . 1 1 24 24 PHE HE2 H 1 7.09 0.09 . 1 . . . . 24 PHE HE2 . 15550 1 293 . 1 1 24 24 PHE HZ H 1 7.27 0.09 . 1 . . . . 24 PHE HZ . 15550 1 294 . 1 1 24 24 PHE C C 13 173.19 0.60 . 1 . . . . 24 PHE C . 15550 1 295 . 1 1 24 24 PHE CA C 13 55.73 0.60 . 1 . . . . 24 PHE CA . 15550 1 296 . 1 1 24 24 PHE CB C 13 44.95 0.60 . 1 . . . . 24 PHE CB . 15550 1 297 . 1 1 24 24 PHE N N 15 125.43 0.54 . 1 . . . . 24 PHE N . 15550 1 298 . 1 1 25 25 ASN H H 1 7.86 0.09 . 1 . . . . 25 ASN H . 15550 1 299 . 1 1 25 25 ASN HA H 1 4.34 0.09 . 1 . . . . 25 ASN HA . 15550 1 300 . 1 1 25 25 ASN HB2 H 1 -0.63 0.09 . 1 . . . . 25 ASN HB2 . 15550 1 301 . 1 1 25 25 ASN HB3 H 1 2.13 0.09 . 1 . . . . 25 ASN HB3 . 15550 1 302 . 1 1 25 25 ASN HD21 H 1 6.50 0.09 . 1 . . . . 25 ASN HD22 . 15550 1 303 . 1 1 25 25 ASN HD22 H 1 3.43 0.09 . 1 . . . . 25 ASN HD23 . 15550 1 304 . 1 1 25 25 ASN C C 13 174.45 0.60 . 1 . . . . 25 ASN C . 15550 1 305 . 1 1 25 25 ASN CA C 13 51.12 0.60 . 1 . . . . 25 ASN CA . 15550 1 306 . 1 1 25 25 ASN CB C 13 38.59 0.60 . 1 . . . . 25 ASN CB . 15550 1 307 . 1 1 25 25 ASN N N 15 128.03 0.54 . 1 . . . . 25 ASN N . 15550 1 308 . 1 1 25 25 ASN ND2 N 15 108.63 0.54 . 1 . . . . 25 ASN ND2 . 15550 1 309 . 1 1 26 26 ARG H H 1 7.93 0.09 . 1 . . . . 26 ARG H . 15550 1 310 . 1 1 26 26 ARG HA H 1 3.78 0.09 . 1 . . . . 26 ARG HA . 15550 1 311 . 1 1 26 26 ARG HB2 H 1 1.61 0.09 . 1 . . . . 26 ARG HB2 . 15550 1 312 . 1 1 26 26 ARG HB3 H 1 1.51 0.09 . 1 . . . . 26 ARG HB3 . 15550 1 313 . 1 1 26 26 ARG HD2 H 1 2.88 0.09 . 1 . . . . 26 ARG HD2 . 15550 1 314 . 1 1 26 26 ARG HD3 H 1 2.94 0.09 . 1 . . . . 26 ARG HD3 . 15550 1 315 . 1 1 26 26 ARG HG2 H 1 0.69 0.09 . 1 . . . . 26 ARG HG2 . 15550 1 316 . 1 1 26 26 ARG HG3 H 1 1.15 0.09 . 1 . . . . 26 ARG HG3 . 15550 1 317 . 1 1 26 26 ARG C C 13 176.59 0.60 . 1 . . . . 26 ARG C . 15550 1 318 . 1 1 26 26 ARG CA C 13 57.03 0.60 . 1 . . . . 26 ARG CA . 15550 1 319 . 1 1 26 26 ARG CB C 13 29.19 0.60 . 1 . . . . 26 ARG CB . 15550 1 320 . 1 1 26 26 ARG CD C 13 42.97 0.60 . 1 . . . . 26 ARG CD . 15550 1 321 . 1 1 26 26 ARG CG C 13 26.08 0.60 . 1 . . . . 26 ARG CG . 15550 1 322 . 1 1 26 26 ARG N N 15 122.77 0.54 . 1 . . . . 26 ARG N . 15550 1 323 . 1 1 27 27 PHE H H 1 8.18 0.09 . 1 . . . . 27 PHE H . 15550 1 324 . 1 1 27 27 PHE HA H 1 4.74 0.09 . 1 . . . . 27 PHE HA . 15550 1 325 . 1 1 27 27 PHE HB2 H 1 3.12 0.09 . 1 . . . . 27 PHE HB2 . 15550 1 326 . 1 1 27 27 PHE HB3 H 1 3.19 0.09 . 1 . . . . 27 PHE HB3 . 15550 1 327 . 1 1 27 27 PHE HD1 H 1 7.19 0.09 . 1 . . . . 27 PHE HD1 . 15550 1 328 . 1 1 27 27 PHE HD2 H 1 7.19 0.09 . 1 . . . . 27 PHE HD2 . 15550 1 329 . 1 1 27 27 PHE C C 13 178.03 0.60 . 1 . . . . 27 PHE C . 15550 1 330 . 1 1 27 27 PHE CA C 13 58.07 0.60 . 1 . . . . 27 PHE CA . 15550 1 331 . 1 1 27 27 PHE CB C 13 38.14 0.60 . 1 . . . . 27 PHE CB . 15550 1 332 . 1 1 27 27 PHE N N 15 119.45 0.54 . 1 . . . . 27 PHE N . 15550 1 333 . 1 1 28 28 THR H H 1 7.64 0.09 . 1 . . . . 28 THR H . 15550 1 334 . 1 1 28 28 THR HA H 1 4.30 0.09 . 1 . . . . 28 THR HA . 15550 1 335 . 1 1 28 28 THR HB H 1 4.28 0.09 . 1 . . . . 28 THR HB . 15550 1 336 . 1 1 28 28 THR HG21 H 1 1.01 0.09 . 1 . . . . 28 THR HG2 . 15550 1 337 . 1 1 28 28 THR HG22 H 1 1.01 0.09 . 1 . . . . 28 THR HG2 . 15550 1 338 . 1 1 28 28 THR HG23 H 1 1.01 0.09 . 1 . . . . 28 THR HG2 . 15550 1 339 . 1 1 28 28 THR C C 13 175.94 0.60 . 1 . . . . 28 THR C . 15550 1 340 . 1 1 28 28 THR CA C 13 61.09 0.60 . 1 . . . . 28 THR CA . 15550 1 341 . 1 1 28 28 THR CB C 13 70.09 0.60 . 1 . . . . 28 THR CB . 15550 1 342 . 1 1 28 28 THR CG2 C 13 21.03 0.60 . 1 . . . . 28 THR CG2 . 15550 1 343 . 1 1 28 28 THR N N 15 108.34 0.54 . 1 . . . . 28 THR N . 15550 1 344 . 1 1 29 29 ASN H H 1 8.19 0.09 . 1 . . . . 29 ASN H . 15550 1 345 . 1 1 29 29 ASN HA H 1 4.15 0.09 . 1 . . . . 29 ASN HA . 15550 1 346 . 1 1 29 29 ASN HB2 H 1 2.89 0.09 . 1 . . . . 29 ASN HB2 . 15550 1 347 . 1 1 29 29 ASN HB3 H 1 3.15 0.09 . 1 . . . . 29 ASN HB3 . 15550 1 348 . 1 1 29 29 ASN HD21 H 1 7.42 0.09 . 1 . . . . 29 ASN HD22 . 15550 1 349 . 1 1 29 29 ASN HD22 H 1 6.83 0.09 . 1 . . . . 29 ASN HD23 . 15550 1 350 . 1 1 29 29 ASN C C 13 173.81 0.60 . 1 . . . . 29 ASN C . 15550 1 351 . 1 1 29 29 ASN CA C 13 54.97 0.60 . 1 . . . . 29 ASN CA . 15550 1 352 . 1 1 29 29 ASN CB C 13 37.60 0.60 . 1 . . . . 29 ASN CB . 15550 1 353 . 1 1 29 29 ASN N N 15 118.13 0.54 . 1 . . . . 29 ASN N . 15550 1 354 . 1 1 29 29 ASN ND2 N 15 112.60 0.54 . 1 . . . . 29 ASN ND2 . 15550 1 355 . 1 1 30 30 GLN H H 1 7.17 0.09 . 1 . . . . 30 GLN H . 15550 1 356 . 1 1 30 30 GLN HA H 1 4.37 0.09 . 1 . . . . 30 GLN HA . 15550 1 357 . 1 1 30 30 GLN HB2 H 1 1.73 0.09 . 1 . . . . 30 GLN HB2 . 15550 1 358 . 1 1 30 30 GLN HB3 H 1 1.94 0.09 . 1 . . . . 30 GLN HB3 . 15550 1 359 . 1 1 30 30 GLN HE21 H 1 7.76 0.09 . 1 . . . . 30 GLN HE22 . 15550 1 360 . 1 1 30 30 GLN HE22 H 1 7.07 0.09 . 1 . . . . 30 GLN HE23 . 15550 1 361 . 1 1 30 30 GLN HG2 H 1 2.35 0.09 . 1 . . . . 30 GLN HG2 . 15550 1 362 . 1 1 30 30 GLN HG3 H 1 2.43 0.09 . 1 . . . . 30 GLN HG3 . 15550 1 363 . 1 1 30 30 GLN C C 13 174.30 0.60 . 1 . . . . 30 GLN C . 15550 1 364 . 1 1 30 30 GLN CA C 13 56.14 0.60 . 1 . . . . 30 GLN CA . 15550 1 365 . 1 1 30 30 GLN CB C 13 31.20 0.60 . 1 . . . . 30 GLN CB . 15550 1 366 . 1 1 30 30 GLN CG C 13 34.31 0.60 . 1 . . . . 30 GLN CG . 15550 1 367 . 1 1 30 30 GLN N N 15 119.01 0.54 . 1 . . . . 30 GLN N . 15550 1 368 . 1 1 30 30 GLN NE2 N 15 112.83 0.54 . 1 . . . . 30 GLN NE2 . 15550 1 369 . 1 1 31 31 SER H H 1 8.41 0.09 . 1 . . . . 31 SER H . 15550 1 370 . 1 1 31 31 SER HA H 1 5.98 0.09 . 1 . . . . 31 SER HA . 15550 1 371 . 1 1 31 31 SER HB2 H 1 3.62 0.09 . 1 . . . . 31 SER HB2 . 15550 1 372 . 1 1 31 31 SER HB3 H 1 3.62 0.09 . 1 . . . . 31 SER HB3 . 15550 1 373 . 1 1 31 31 SER C C 13 173.64 0.60 . 1 . . . . 31 SER C . 15550 1 374 . 1 1 31 31 SER CA C 13 57.20 0.60 . 1 . . . . 31 SER CA . 15550 1 375 . 1 1 31 31 SER CB C 13 65.66 0.60 . 1 . . . . 31 SER CB . 15550 1 376 . 1 1 31 31 SER N N 15 117.71 0.54 . 1 . . . . 31 SER N . 15550 1 377 . 1 1 32 32 LEU H H 1 9.59 0.09 . 1 . . . . 32 LEU H . 15550 1 378 . 1 1 32 32 LEU HA H 1 4.82 0.09 . 1 . . . . 32 LEU HA . 15550 1 379 . 1 1 32 32 LEU HB2 H 1 1.67 0.09 . 1 . . . . 32 LEU HB2 . 15550 1 380 . 1 1 32 32 LEU HB3 H 1 1.88 0.09 . 1 . . . . 32 LEU HB3 . 15550 1 381 . 1 1 32 32 LEU HD11 H 1 0.72 0.09 . 1 . . . . 32 LEU HD1 . 15550 1 382 . 1 1 32 32 LEU HD12 H 1 0.72 0.09 . 1 . . . . 32 LEU HD1 . 15550 1 383 . 1 1 32 32 LEU HD13 H 1 0.72 0.09 . 1 . . . . 32 LEU HD1 . 15550 1 384 . 1 1 32 32 LEU HD21 H 1 1.03 0.09 . 1 . . . . 32 LEU HD2 . 15550 1 385 . 1 1 32 32 LEU HD22 H 1 1.03 0.09 . 1 . . . . 32 LEU HD2 . 15550 1 386 . 1 1 32 32 LEU HD23 H 1 1.03 0.09 . 1 . . . . 32 LEU HD2 . 15550 1 387 . 1 1 32 32 LEU HG H 1 1.69 0.09 . 1 . . . . 32 LEU HG . 15550 1 388 . 1 1 32 32 LEU C C 13 176.78 0.60 . 1 . . . . 32 LEU C . 15550 1 389 . 1 1 32 32 LEU CA C 13 53.49 0.60 . 1 . . . . 32 LEU CA . 15550 1 390 . 1 1 32 32 LEU CB C 13 47.90 0.60 . 1 . . . . 32 LEU CB . 15550 1 391 . 1 1 32 32 LEU CD1 C 13 26.34 0.60 . 1 . . . . 32 LEU CD1 . 15550 1 392 . 1 1 32 32 LEU CD2 C 13 23.48 0.60 . 1 . . . . 32 LEU CD2 . 15550 1 393 . 1 1 32 32 LEU CG C 13 27.49 0.60 . 1 . . . . 32 LEU CG . 15550 1 394 . 1 1 32 32 LEU N N 15 124.87 0.54 . 1 . . . . 32 LEU N . 15550 1 395 . 1 1 33 33 TRP H H 1 8.81 0.09 . 1 . . . . 33 TRP H . 15550 1 396 . 1 1 33 33 TRP HA H 1 4.94 0.09 . 1 . . . . 33 TRP HA . 15550 1 397 . 1 1 33 33 TRP HB2 H 1 3.11 0.09 . 1 . . . . 33 TRP HB2 . 15550 1 398 . 1 1 33 33 TRP HB3 H 1 3.63 0.09 . 1 . . . . 33 TRP HB3 . 15550 1 399 . 1 1 33 33 TRP HD1 H 1 7.34 0.09 . 1 . . . . 33 TRP HD1 . 15550 1 400 . 1 1 33 33 TRP HE1 H 1 10.02 0.09 . 1 . . . . 33 TRP HE1 . 15550 1 401 . 1 1 33 33 TRP HE3 H 1 7.96 0.09 . 1 . . . . 33 TRP HE3 . 15550 1 402 . 1 1 33 33 TRP HH2 H 1 6.82 0.09 . 1 . . . . 33 TRP HH2 . 15550 1 403 . 1 1 33 33 TRP HZ2 H 1 7.23 0.09 . 1 . . . . 33 TRP HZ2 . 15550 1 404 . 1 1 33 33 TRP HZ3 H 1 6.71 0.09 . 1 . . . . 33 TRP HZ3 . 15550 1 405 . 1 1 33 33 TRP C C 13 175.88 0.60 . 1 . . . . 33 TRP C . 15550 1 406 . 1 1 33 33 TRP CA C 13 58.01 0.60 . 1 . . . . 33 TRP CA . 15550 1 407 . 1 1 33 33 TRP CB C 13 30.32 0.60 . 1 . . . . 33 TRP CB . 15550 1 408 . 1 1 33 33 TRP N N 15 119.93 0.54 . 1 . . . . 33 TRP N . 15550 1 409 . 1 1 33 33 TRP NE1 N 15 128.59 0.54 . 1 . . . . 33 TRP NE1 . 15550 1 410 . 1 1 34 34 GLU H H 1 7.47 0.09 . 1 . . . . 34 GLU H . 15550 1 411 . 1 1 34 34 GLU HA H 1 4.67 0.09 . 1 . . . . 34 GLU HA . 15550 1 412 . 1 1 34 34 GLU HB2 H 1 1.83 0.09 . 1 . . . . 34 GLU HB2 . 15550 1 413 . 1 1 34 34 GLU HB3 H 1 2.00 0.09 . 1 . . . . 34 GLU HB3 . 15550 1 414 . 1 1 34 34 GLU HG2 H 1 2.26 0.09 . 1 . . . . 34 GLU HG2 . 15550 1 415 . 1 1 34 34 GLU HG3 H 1 2.26 0.09 . 1 . . . . 34 GLU HG3 . 15550 1 416 . 1 1 34 34 GLU C C 13 173.87 0.60 . 1 . . . . 34 GLU C . 15550 1 417 . 1 1 34 34 GLU CA C 13 54.14 0.60 . 1 . . . . 34 GLU CA . 15550 1 418 . 1 1 34 34 GLU CB C 13 31.93 0.60 . 1 . . . . 34 GLU CB . 15550 1 419 . 1 1 34 34 GLU CG C 13 35.90 0.60 . 1 . . . . 34 GLU CG . 15550 1 420 . 1 1 34 34 GLU N N 15 117.46 0.54 . 1 . . . . 34 GLU N . 15550 1 421 . 1 1 35 35 MET H H 1 8.15 0.09 . 1 . . . . 35 MET H . 15550 1 422 . 1 1 35 35 MET HA H 1 2.91 0.09 . 1 . . . . 35 MET HA . 15550 1 423 . 1 1 35 35 MET HB2 H 1 1.56 0.09 . 1 . . . . 35 MET HB2 . 15550 1 424 . 1 1 35 35 MET HB3 H 1 1.50 0.09 . 1 . . . . 35 MET HB3 . 15550 1 425 . 1 1 35 35 MET HG2 H 1 1.87 0.09 . 1 . . . . 35 MET HG2 . 15550 1 426 . 1 1 35 35 MET HG3 H 1 2.12 0.09 . 1 . . . . 35 MET HG3 . 15550 1 427 . 1 1 35 35 MET C C 13 174.25 0.60 . 1 . . . . 35 MET C . 15550 1 428 . 1 1 35 35 MET CA C 13 53.54 0.60 . 1 . . . . 35 MET CA . 15550 1 429 . 1 1 35 35 MET CB C 13 32.46 0.60 . 1 . . . . 35 MET CB . 15550 1 430 . 1 1 35 35 MET CG C 13 30.97 0.60 . 1 . . . . 35 MET CG . 15550 1 431 . 1 1 35 35 MET N N 15 121.31 0.54 . 1 . . . . 35 MET N . 15550 1 432 . 1 1 36 36 PRO HA H 1 3.90 0.09 . 1 . . . . 36 PRO HA . 15550 1 433 . 1 1 36 36 PRO HB2 H 1 1.17 0.09 . 1 . . . . 36 PRO HB2 . 15550 1 434 . 1 1 36 36 PRO HB3 H 1 0.98 0.09 . 1 . . . . 36 PRO HB3 . 15550 1 435 . 1 1 36 36 PRO HD2 H 1 2.68 0.09 . 1 . . . . 36 PRO HD2 . 15550 1 436 . 1 1 36 36 PRO HD3 H 1 2.49 0.09 . 1 . . . . 36 PRO HD3 . 15550 1 437 . 1 1 36 36 PRO HG2 H 1 0.39 0.09 . 1 . . . . 36 PRO HG2 . 15550 1 438 . 1 1 36 36 PRO HG3 H 1 0.11 0.09 . 1 . . . . 36 PRO HG3 . 15550 1 439 . 1 1 36 36 PRO C C 13 174.41 0.60 . 1 . . . . 36 PRO C . 15550 1 440 . 1 1 36 36 PRO CA C 13 62.10 0.60 . 1 . . . . 36 PRO CA . 15550 1 441 . 1 1 36 36 PRO CB C 13 31.48 0.60 . 1 . . . . 36 PRO CB . 15550 1 442 . 1 1 36 36 PRO CD C 13 50.13 0.60 . 1 . . . . 36 PRO CD . 15550 1 443 . 1 1 36 36 PRO CG C 13 25.45 0.60 . 1 . . . . 36 PRO CG . 15550 1 444 . 1 1 36 36 PRO N N 15 135.18 0.54 . 1 . . . . 36 PRO N . 15550 1 445 . 1 1 37 37 VAL H H 1 7.82 0.09 . 1 . . . . 37 VAL H . 15550 1 446 . 1 1 37 37 VAL HA H 1 3.96 0.09 . 1 . . . . 37 VAL HA . 15550 1 447 . 1 1 37 37 VAL HB H 1 1.88 0.09 . 1 . . . . 37 VAL HB . 15550 1 448 . 1 1 37 37 VAL HG11 H 1 0.82 0.09 . 1 . . . . 37 VAL HG1 . 15550 1 449 . 1 1 37 37 VAL HG12 H 1 0.82 0.09 . 1 . . . . 37 VAL HG1 . 15550 1 450 . 1 1 37 37 VAL HG13 H 1 0.82 0.09 . 1 . . . . 37 VAL HG1 . 15550 1 451 . 1 1 37 37 VAL HG21 H 1 0.81 0.09 . 1 . . . . 37 VAL HG2 . 15550 1 452 . 1 1 37 37 VAL HG22 H 1 0.81 0.09 . 1 . . . . 37 VAL HG2 . 15550 1 453 . 1 1 37 37 VAL HG23 H 1 0.81 0.09 . 1 . . . . 37 VAL HG2 . 15550 1 454 . 1 1 37 37 VAL C C 13 176.40 0.60 . 1 . . . . 37 VAL C . 15550 1 455 . 1 1 37 37 VAL CA C 13 61.16 0.60 . 1 . . . . 37 VAL CA . 15550 1 456 . 1 1 37 37 VAL CB C 13 33.54 0.60 . 1 . . . . 37 VAL CB . 15550 1 457 . 1 1 37 37 VAL CG1 C 13 20.94 0.60 . 1 . . . . 37 VAL CG1 . 15550 1 458 . 1 1 37 37 VAL CG2 C 13 20.25 0.60 . 1 . . . . 37 VAL CG2 . 15550 1 459 . 1 1 37 37 VAL N N 15 117.99 0.54 . 1 . . . . 37 VAL N . 15550 1 460 . 1 1 38 38 LEU H H 1 8.51 0.09 . 1 . . . . 38 LEU H . 15550 1 461 . 1 1 38 38 LEU HA H 1 4.30 0.09 . 1 . . . . 38 LEU HA . 15550 1 462 . 1 1 38 38 LEU HB2 H 1 1.57 0.09 . 1 . . . . 38 LEU HB2 . 15550 1 463 . 1 1 38 38 LEU HB3 H 1 1.57 0.09 . 1 . . . . 38 LEU HB3 . 15550 1 464 . 1 1 38 38 LEU HD11 H 1 0.88 0.09 . 1 . . . . 38 LEU HD1 . 15550 1 465 . 1 1 38 38 LEU HD12 H 1 0.88 0.09 . 1 . . . . 38 LEU HD1 . 15550 1 466 . 1 1 38 38 LEU HD13 H 1 0.88 0.09 . 1 . . . . 38 LEU HD1 . 15550 1 467 . 1 1 38 38 LEU HD21 H 1 0.84 0.09 . 1 . . . . 38 LEU HD2 . 15550 1 468 . 1 1 38 38 LEU HD22 H 1 0.84 0.09 . 1 . . . . 38 LEU HD2 . 15550 1 469 . 1 1 38 38 LEU HD23 H 1 0.84 0.09 . 1 . . . . 38 LEU HD2 . 15550 1 470 . 1 1 38 38 LEU HG H 1 1.57 0.09 . 1 . . . . 38 LEU HG . 15550 1 471 . 1 1 38 38 LEU C C 13 177.74 0.60 . 1 . . . . 38 LEU C . 15550 1 472 . 1 1 38 38 LEU CA C 13 55.17 0.60 . 1 . . . . 38 LEU CA . 15550 1 473 . 1 1 38 38 LEU CB C 13 42.14 0.60 . 1 . . . . 38 LEU CB . 15550 1 474 . 1 1 38 38 LEU CD1 C 13 25.12 0.60 . 1 . . . . 38 LEU CD1 . 15550 1 475 . 1 1 38 38 LEU CD2 C 13 23.70 0.60 . 1 . . . . 38 LEU CD2 . 15550 1 476 . 1 1 38 38 LEU CG C 13 26.97 0.60 . 1 . . . . 38 LEU CG . 15550 1 477 . 1 1 38 38 LEU N N 15 127.01 0.54 . 1 . . . . 38 LEU N . 15550 1 478 . 1 1 39 39 GLY H H 1 8.68 0.09 . 1 . . . . 39 GLY H . 15550 1 479 . 1 1 39 39 GLY HA2 H 1 3.93 0.09 . 1 . . . . 39 GLY HA2 . 15550 1 480 . 1 1 39 39 GLY HA3 H 1 3.93 0.09 . 1 . . . . 39 GLY HA3 . 15550 1 481 . 1 1 39 39 GLY C C 13 173.99 0.60 . 1 . . . . 39 GLY C . 15550 1 482 . 1 1 39 39 GLY CA C 13 45.20 0.60 . 1 . . . . 39 GLY CA . 15550 1 483 . 1 1 39 39 GLY N N 15 110.94 0.54 . 1 . . . . 39 GLY N . 15550 1 484 . 1 1 40 40 GLN H H 1 8.22 0.09 . 1 . . . . 40 GLN H . 15550 1 485 . 1 1 40 40 GLN HA H 1 4.29 0.09 . 1 . . . . 40 GLN HA . 15550 1 486 . 1 1 40 40 GLN HB2 H 1 1.91 0.09 . 1 . . . . 40 GLN HB2 . 15550 1 487 . 1 1 40 40 GLN HB3 H 1 2.00 0.09 . 1 . . . . 40 GLN HB3 . 15550 1 488 . 1 1 40 40 GLN HE21 H 1 7.61 0.09 . 1 . . . . 40 GLN HE22 . 15550 1 489 . 1 1 40 40 GLN HE22 H 1 6.85 0.09 . 1 . . . . 40 GLN HE23 . 15550 1 490 . 1 1 40 40 GLN HG2 H 1 2.22 0.09 . 1 . . . . 40 GLN HG2 . 15550 1 491 . 1 1 40 40 GLN HG3 H 1 2.26 0.09 . 1 . . . . 40 GLN HG3 . 15550 1 492 . 1 1 40 40 GLN C C 13 175.89 0.60 . 1 . . . . 40 GLN C . 15550 1 493 . 1 1 40 40 GLN CA C 13 55.84 0.60 . 1 . . . . 40 GLN CA . 15550 1 494 . 1 1 40 40 GLN CB C 13 29.48 0.60 . 1 . . . . 40 GLN CB . 15550 1 495 . 1 1 40 40 GLN CG C 13 33.56 0.60 . 1 . . . . 40 GLN CG . 15550 1 496 . 1 1 40 40 GLN N N 15 120.20 0.54 . 1 . . . . 40 GLN N . 15550 1 497 . 1 1 40 40 GLN NE2 N 15 112.65 0.54 . 1 . . . . 40 GLN NE2 . 15550 1 498 . 1 1 41 41 HIS H H 1 8.55 0.09 . 1 . . . . 41 HIS H . 15550 1 499 . 1 1 41 41 HIS HA H 1 4.71 0.09 . 1 . . . . 41 HIS HA . 15550 1 500 . 1 1 41 41 HIS HB2 H 1 3.07 0.09 . 1 . . . . 41 HIS HB2 . 15550 1 501 . 1 1 41 41 HIS HB3 H 1 3.22 0.09 . 1 . . . . 41 HIS HB3 . 15550 1 502 . 1 1 41 41 HIS HD2 H 1 7.11 0.09 . 1 . . . . 41 HIS HD2 . 15550 1 503 . 1 1 41 41 HIS HE1 H 1 8.10 0.09 . 1 . . . . 41 HIS HE1 . 15550 1 504 . 1 1 41 41 HIS C C 13 174.32 0.60 . 1 . . . . 41 HIS C . 15550 1 505 . 1 1 41 41 HIS CA C 13 55.71 0.60 . 1 . . . . 41 HIS CA . 15550 1 506 . 1 1 41 41 HIS CB C 13 30.18 0.60 . 1 . . . . 41 HIS CB . 15550 1 507 . 1 1 41 41 HIS N N 15 120.46 0.54 . 1 . . . . 41 HIS N . 15550 1 508 . 1 1 42 42 ASP H H 1 8.44 0.09 . 1 . . . . 42 ASP H . 15550 1 509 . 1 1 42 42 ASP HA H 1 4.62 0.09 . 1 . . . . 42 ASP HA . 15550 1 510 . 1 1 42 42 ASP HB2 H 1 2.59 0.09 . 1 . . . . 42 ASP HB2 . 15550 1 511 . 1 1 42 42 ASP HB3 H 1 2.65 0.09 . 1 . . . . 42 ASP HB3 . 15550 1 512 . 1 1 42 42 ASP C C 13 175.85 0.60 . 1 . . . . 42 ASP C . 15550 1 513 . 1 1 42 42 ASP CA C 13 54.39 0.60 . 1 . . . . 42 ASP CA . 15550 1 514 . 1 1 42 42 ASP CB C 13 41.21 0.60 . 1 . . . . 42 ASP CB . 15550 1 515 . 1 1 42 42 ASP N N 15 122.04 0.54 . 1 . . . . 42 ASP N . 15550 1 516 . 1 1 43 43 VAL H H 1 8.13 0.09 . 1 . . . . 43 VAL H . 15550 1 517 . 1 1 43 43 VAL HA H 1 4.10 0.09 . 1 . . . . 43 VAL HA . 15550 1 518 . 1 1 43 43 VAL HB H 1 2.04 0.09 . 1 . . . . 43 VAL HB . 15550 1 519 . 1 1 43 43 VAL HG11 H 1 0.88 0.09 . 1 . . . . 43 VAL HG1 . 15550 1 520 . 1 1 43 43 VAL HG12 H 1 0.88 0.09 . 1 . . . . 43 VAL HG1 . 15550 1 521 . 1 1 43 43 VAL HG13 H 1 0.88 0.09 . 1 . . . . 43 VAL HG1 . 15550 1 522 . 1 1 43 43 VAL HG21 H 1 0.89 0.09 . 1 . . . . 43 VAL HG2 . 15550 1 523 . 1 1 43 43 VAL HG22 H 1 0.89 0.09 . 1 . . . . 43 VAL HG2 . 15550 1 524 . 1 1 43 43 VAL HG23 H 1 0.89 0.09 . 1 . . . . 43 VAL HG2 . 15550 1 525 . 1 1 43 43 VAL C C 13 176.00 0.60 . 1 . . . . 43 VAL C . 15550 1 526 . 1 1 43 43 VAL CA C 13 62.29 0.60 . 1 . . . . 43 VAL CA . 15550 1 527 . 1 1 43 43 VAL CB C 13 32.80 0.60 . 1 . . . . 43 VAL CB . 15550 1 528 . 1 1 43 43 VAL CG1 C 13 20.86 0.60 . 1 . . . . 43 VAL CG1 . 15550 1 529 . 1 1 43 43 VAL CG2 C 13 20.21 0.60 . 1 . . . . 43 VAL CG2 . 15550 1 530 . 1 1 43 43 VAL N N 15 120.73 0.54 . 1 . . . . 43 VAL N . 15550 1 531 . 1 1 44 44 ILE H H 1 8.33 0.09 . 1 . . . . 44 ILE H . 15550 1 532 . 1 1 44 44 ILE HA H 1 4.20 0.09 . 1 . . . . 44 ILE HA . 15550 1 533 . 1 1 44 44 ILE HB H 1 1.83 0.09 . 1 . . . . 44 ILE HB . 15550 1 534 . 1 1 44 44 ILE HD11 H 1 0.79 0.09 . 1 . . . . 44 ILE HD1 . 15550 1 535 . 1 1 44 44 ILE HD12 H 1 0.79 0.09 . 1 . . . . 44 ILE HD1 . 15550 1 536 . 1 1 44 44 ILE HD13 H 1 0.79 0.09 . 1 . . . . 44 ILE HD1 . 15550 1 537 . 1 1 44 44 ILE HG12 H 1 1.15 0.09 . 1 . . . . 44 ILE HG12 . 15550 1 538 . 1 1 44 44 ILE HG13 H 1 1.44 0.09 . 1 . . . . 44 ILE HG13 . 15550 1 539 . 1 1 44 44 ILE HG21 H 1 0.86 0.09 . 1 . . . . 44 ILE HG2 . 15550 1 540 . 1 1 44 44 ILE HG22 H 1 0.86 0.09 . 1 . . . . 44 ILE HG2 . 15550 1 541 . 1 1 44 44 ILE HG23 H 1 0.86 0.09 . 1 . . . . 44 ILE HG2 . 15550 1 542 . 1 1 44 44 ILE C C 13 176.14 0.60 . 1 . . . . 44 ILE C . 15550 1 543 . 1 1 44 44 ILE CA C 13 60.86 0.60 . 1 . . . . 44 ILE CA . 15550 1 544 . 1 1 44 44 ILE CB C 13 38.53 0.60 . 1 . . . . 44 ILE CB . 15550 1 545 . 1 1 44 44 ILE CD1 C 13 12.65 0.60 . 1 . . . . 44 ILE CD1 . 15550 1 546 . 1 1 44 44 ILE CG1 C 13 27.24 0.60 . 1 . . . . 44 ILE CG1 . 15550 1 547 . 1 1 44 44 ILE CG2 C 13 17.43 0.60 . 1 . . . . 44 ILE CG2 . 15550 1 548 . 1 1 44 44 ILE N N 15 125.99 0.54 . 1 . . . . 44 ILE N . 15550 1 549 . 1 1 45 45 SER H H 1 8.38 0.09 . 1 . . . . 45 SER H . 15550 1 550 . 1 1 45 45 SER HA H 1 4.45 0.09 . 1 . . . . 45 SER HA . 15550 1 551 . 1 1 45 45 SER HB2 H 1 3.79 0.09 . 1 . . . . 45 SER HB2 . 15550 1 552 . 1 1 45 45 SER HB3 H 1 3.79 0.09 . 1 . . . . 45 SER HB3 . 15550 1 553 . 1 1 45 45 SER C C 13 173.69 0.60 . 1 . . . . 45 SER C . 15550 1 554 . 1 1 45 45 SER CA C 13 58.14 0.60 . 1 . . . . 45 SER CA . 15550 1 555 . 1 1 45 45 SER CB C 13 64.04 0.60 . 1 . . . . 45 SER CB . 15550 1 556 . 1 1 45 45 SER N N 15 121.06 0.54 . 1 . . . . 45 SER N . 15550 1 557 . 1 1 46 46 ASP H H 1 8.32 0.09 . 1 . . . . 46 ASP H . 15550 1 558 . 1 1 46 46 ASP HA H 1 4.87 0.09 . 1 . . . . 46 ASP HA . 15550 1 559 . 1 1 46 46 ASP HB2 H 1 2.46 0.09 . 1 . . . . 46 ASP HB2 . 15550 1 560 . 1 1 46 46 ASP HB3 H 1 2.74 0.09 . 1 . . . . 46 ASP HB3 . 15550 1 561 . 1 1 46 46 ASP C C 13 173.21 0.60 . 1 . . . . 46 ASP C . 15550 1 562 . 1 1 46 46 ASP CA C 13 52.88 0.60 . 1 . . . . 46 ASP CA . 15550 1 563 . 1 1 46 46 ASP CB C 13 40.48 0.60 . 1 . . . . 46 ASP CB . 15550 1 564 . 1 1 46 46 ASP N N 15 124.51 0.54 . 1 . . . . 46 ASP N . 15550 1 565 . 1 1 47 47 PRO HA H 1 4.20 0.09 . 1 . . . . 47 PRO HA . 15550 1 566 . 1 1 47 47 PRO HB2 H 1 1.87 0.09 . 1 . . . . 47 PRO HB2 . 15550 1 567 . 1 1 47 47 PRO HB3 H 1 2.14 0.09 . 1 . . . . 47 PRO HB3 . 15550 1 568 . 1 1 47 47 PRO HD2 H 1 3.64 0.09 . 1 . . . . 47 PRO HD2 . 15550 1 569 . 1 1 47 47 PRO HD3 H 1 3.71 0.09 . 1 . . . . 47 PRO HD3 . 15550 1 570 . 1 1 47 47 PRO HG2 H 1 1.93 0.09 . 1 . . . . 47 PRO HG2 . 15550 1 571 . 1 1 47 47 PRO HG3 H 1 1.93 0.09 . 1 . . . . 47 PRO HG3 . 15550 1 572 . 1 1 47 47 PRO CA C 13 64.87 0.60 . 1 . . . . 47 PRO CA . 15550 1 573 . 1 1 47 47 PRO CB C 13 32.06 0.60 . 1 . . . . 47 PRO CB . 15550 1 574 . 1 1 47 47 PRO CD C 13 50.25 0.60 . 1 . . . . 47 PRO CD . 15550 1 575 . 1 1 47 47 PRO CG C 13 27.19 0.60 . 1 . . . . 47 PRO CG . 15550 1 stop_ save_