data_19606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19606 _Entry.Title ; Solution Structure of the UBA Domain of Human NBR1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-09 _Entry.Accession_date 2013-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'Solution Structure of the UBA Domain of Human NBR1' _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 Erik Walinda . . . 19606 2 Daichi Morimoto . . . 19606 3 Kenji Sugase . . . 19606 4 Masaaki Komatsu . . . 19606 5 Hidehito Tochio . . . 19606 6 Masahiro Shirakawa . . . 19606 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19606 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID autophagy . 19606 'protein degradation' . 19606 'ubiquitin binding' . 19606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 356 19606 '13C chemical shifts' 176 19606 '15N chemical shifts' 50 19606 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-02 2013-11-09 update BMRB 'update entry citation' 19606 1 . . 2014-04-07 2013-11-09 original author 'original release' 19606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mgw 'BMRB Entry Tracking System' 19606 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19606 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24692539 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Ubiquitin-associated (UBA) Domain of Human Autophagy Receptor NBR1 and its Interaction with Ubiquitin and Polyubiquitin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _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 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erik Walinda . . . 19606 1 2 Daichi Morimoto . . . 19606 1 3 Kenji Sugase . . . 19606 1 4 Tsuyoshi Konuma . . . 19606 1 5 Hidehito Tochio . . . 19606 1 6 Masahiro Shirakawa . . . 19606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19606 _Assembly.ID 1 _Assembly.Name 'UBA Domain of Human NBR1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'UBA Domain of Human NBR1' 1 $entity A . yes native no no . . . 19606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPLGSSEDQTAALMAHLFEM GFCDRQLNLRLLKKHNYNIL QVVTELLQLNNN ; _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 52 _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 5918.827 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MGW . "Solution Structure Of The Uba Domain Of Human Nbr1" . . . . . 100.00 52 100.00 100.00 2.01e-28 . . . . 19606 1 2 no PDB 2MJ5 . "Structure Of The Uba Domain Of Human Nbr1 In Complex With Ubiquitin" . . . . . 100.00 52 100.00 100.00 2.01e-28 . . . . 19606 1 3 no DBJ BAA06417 . "KIAA0049 [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 4 no DBJ BAF82694 . "unnamed protein product [Homo sapiens]" . . . . . 90.38 966 97.87 97.87 1.45e-21 . . . . 19606 1 5 no DBJ BAG09582 . "neighbor of BRCA1 gene 1 [synthetic construct]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 6 no DBJ BAH12580 . "unnamed protein product [Homo sapiens]" . . . . . 90.38 217 100.00 100.00 1.93e-24 . . . . 19606 1 7 no EMBL CAA54274 . "IAI3B [Homo sapiens]" . . . . . 90.38 966 97.87 97.87 1.34e-21 . . . . 19606 1 8 no EMBL CAH90613 . "hypothetical protein [Pongo abelii]" . . . . . 90.38 894 97.87 100.00 2.55e-22 . . . . 19606 1 9 no GB AAI49980 . "NBR1 protein [Bos taurus]" . . . . . 90.38 986 97.87 100.00 1.45e-22 . . . . 19606 1 10 no GB AAS15047 . "migration-inducing protein 19 [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 11 no GB EAW60946 . "neighbor of BRCA1 gene 1, isoform CRA_a [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 12 no GB EAW60947 . "neighbor of BRCA1 gene 1, isoform CRA_a [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 13 no GB EAW60949 . "neighbor of BRCA1 gene 1, isoform CRA_c [Homo sapiens]" . . . . . 90.38 897 100.00 100.00 7.43e-23 . . . . 19606 1 14 no REF NP_001093837 . "next to BRCA1 gene 1 protein [Bos taurus]" . . . . . 90.38 986 97.87 100.00 1.45e-22 . . . . 19606 1 15 no REF NP_001127309 . "next to BRCA1 gene 1 protein [Pongo abelii]" . . . . . 90.38 894 97.87 100.00 2.55e-22 . . . . 19606 1 16 no REF NP_005890 . "next to BRCA1 gene 1 protein isoform a [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 17 no REF NP_114068 . "next to BRCA1 gene 1 protein isoform a [Homo sapiens]" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 18 no REF XP_001097043 . "PREDICTED: next to BRCA1 gene 1 protein-like isoform 1 [Macaca mulatta]" . . . . . 90.38 965 97.87 100.00 2.58e-22 . . . . 19606 1 19 no SP Q14596 . "RecName: Full=Next to BRCA1 gene 1 protein; AltName: Full=Cell migration-inducing gene 19 protein; AltName: Full=Membrane compo" . . . . . 90.38 966 100.00 100.00 1.10e-22 . . . . 19606 1 20 no SP Q5RC94 . "RecName: Full=Next to BRCA1 gene 1 protein; AltName: Full=Neighbor of BRCA1 gene 1 protein" . . . . . 90.38 894 97.87 100.00 2.55e-22 . . . . 19606 1 21 no TPG DAA18460 . "TPA: neighbor of BRCA1 gene 1 [Bos taurus]" . . . . . 90.38 986 97.87 100.00 1.45e-22 . . . . 19606 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin binding in autophagy' 19606 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 . 19606 1 2 . PRO . 19606 1 3 . LEU . 19606 1 4 . GLY . 19606 1 5 . SER . 19606 1 6 . SER . 19606 1 7 . GLU . 19606 1 8 . ASP . 19606 1 9 . GLN . 19606 1 10 . THR . 19606 1 11 . ALA . 19606 1 12 . ALA . 19606 1 13 . LEU . 19606 1 14 . MET . 19606 1 15 . ALA . 19606 1 16 . HIS . 19606 1 17 . LEU . 19606 1 18 . PHE . 19606 1 19 . GLU . 19606 1 20 . MET . 19606 1 21 . GLY . 19606 1 22 . PHE . 19606 1 23 . CYS . 19606 1 24 . ASP . 19606 1 25 . ARG . 19606 1 26 . GLN . 19606 1 27 . LEU . 19606 1 28 . ASN . 19606 1 29 . LEU . 19606 1 30 . ARG . 19606 1 31 . LEU . 19606 1 32 . LEU . 19606 1 33 . LYS . 19606 1 34 . LYS . 19606 1 35 . HIS . 19606 1 36 . ASN . 19606 1 37 . TYR . 19606 1 38 . ASN . 19606 1 39 . ILE . 19606 1 40 . LEU . 19606 1 41 . GLN . 19606 1 42 . VAL . 19606 1 43 . VAL . 19606 1 44 . THR . 19606 1 45 . GLU . 19606 1 46 . LEU . 19606 1 47 . LEU . 19606 1 48 . GLN . 19606 1 49 . LEU . 19606 1 50 . ASN . 19606 1 51 . ASN . 19606 1 52 . ASN . 19606 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 19606 1 . PRO 2 2 19606 1 . LEU 3 3 19606 1 . GLY 4 4 19606 1 . SER 5 5 19606 1 . SER 6 6 19606 1 . GLU 7 7 19606 1 . ASP 8 8 19606 1 . GLN 9 9 19606 1 . THR 10 10 19606 1 . ALA 11 11 19606 1 . ALA 12 12 19606 1 . LEU 13 13 19606 1 . MET 14 14 19606 1 . ALA 15 15 19606 1 . HIS 16 16 19606 1 . LEU 17 17 19606 1 . PHE 18 18 19606 1 . GLU 19 19 19606 1 . MET 20 20 19606 1 . GLY 21 21 19606 1 . PHE 22 22 19606 1 . CYS 23 23 19606 1 . ASP 24 24 19606 1 . ARG 25 25 19606 1 . GLN 26 26 19606 1 . LEU 27 27 19606 1 . ASN 28 28 19606 1 . LEU 29 29 19606 1 . ARG 30 30 19606 1 . LEU 31 31 19606 1 . LEU 32 32 19606 1 . LYS 33 33 19606 1 . LYS 34 34 19606 1 . HIS 35 35 19606 1 . ASN 36 36 19606 1 . TYR 37 37 19606 1 . ASN 38 38 19606 1 . ILE 39 39 19606 1 . LEU 40 40 19606 1 . GLN 41 41 19606 1 . VAL 42 42 19606 1 . VAL 43 43 19606 1 . THR 44 44 19606 1 . GLU 45 45 19606 1 . LEU 46 46 19606 1 . LEU 47 47 19606 1 . GLN 48 48 19606 1 . LEU 49 49 19606 1 . ASN 50 50 19606 1 . ASN 51 51 19606 1 . ASN 52 52 19606 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 19606 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19606 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 19606 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-6P1 . . . . . . 19606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19606 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample used for NMR-double and triple resonance experiments' _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19606 1 2 'potassium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19606 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19606 1 4 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 19606 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19606 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19606 1 7 'NBR1 residues 913-959' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19606 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19606 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19606 1 stop_ save_ save_aniso _Sample.Sf_category sample _Sample.Sf_framecode aniso _Sample.Entry_ID 19606 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample used for NMR-double and triple resonance experiments' _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19606 2 2 'potassium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19606 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19606 2 4 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 19606 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19606 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19606 2 7 'NBR1 residues 913-959' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19606 2 8 'Pf1 phage' 'natural abundance' . . . . . . 12.5 . . mg/mL . . . . 19606 2 9 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19606 2 10 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19606 2 11 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19606 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 19606 _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 6.6 . pH 19606 1 pressure 1 . atm 19606 1 temperature 298 . K 19606 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19606 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19606 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19606 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19606 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19606 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19606 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19606 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19606 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19606 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19606 _Software.ID 4 _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' . . 19606 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19606 4 stop_ save_ save_MAGRO _Software.Sf_category software _Software.Sf_framecode MAGRO _Software.Entry_ID 19606 _Software.ID 5 _Software.Name MAGRO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Naohiro Kobayashi' 'Osaka University' nahero@ab.auone-net.jp 19606 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19606 5 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 19606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19606 _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 . 600 . . . 19606 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 19606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 8 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 10 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 11 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 13 '2D 1H-15N HSQC IPAP' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $aniso anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 14 '2D 1H-15N HSQC IPAP' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19606 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19606 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19606 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19606 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19606 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 19606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19606 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19606 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 . 19606 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19606 1 5 '3D HNCACB' 1 $sample_1 . 19606 1 6 '3D HBHA(CO)NH' 1 $sample_1 . 19606 1 7 '3D H(CCO)NH' 1 $sample_1 . 19606 1 8 '3D C(CO)NH' 1 $sample_1 . 19606 1 9 '3D HCCH-TOCSY' 1 $sample_1 . 19606 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19606 1 12 '3D 1H-15N NOESY' 1 $sample_1 . 19606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.729 0.000 . 1 . . . A 2 PRO HA . 19606 1 2 . 1 1 2 2 PRO HB2 H 1 2.318 0.001 . 2 . . . A 2 PRO HB2 . 19606 1 3 . 1 1 2 2 PRO HB3 H 1 1.946 0.000 . 2 . . . A 2 PRO HB3 . 19606 1 4 . 1 1 2 2 PRO HG2 H 1 2.016 0.000 . 1 . . . A 2 PRO HG2 . 19606 1 5 . 1 1 2 2 PRO HG3 H 1 2.016 0.000 . 1 . . . A 2 PRO HG3 . 19606 1 6 . 1 1 2 2 PRO HD2 H 1 3.575 0.007 . 2 . . . A 2 PRO HD2 . 19606 1 7 . 1 1 2 2 PRO HD3 H 1 3.579 0.007 . 2 . . . A 2 PRO HD3 . 19606 1 8 . 1 1 2 2 PRO CA C 13 63.151 0.000 . 1 . . . A 2 PRO CA . 19606 1 9 . 1 1 2 2 PRO CB C 13 32.357 0.013 . 1 . . . A 2 PRO CB . 19606 1 10 . 1 1 2 2 PRO CG C 13 27.088 0.008 . 1 . . . A 2 PRO CG . 19606 1 11 . 1 1 2 2 PRO CD C 13 49.692 0.005 . 1 . . . A 2 PRO CD . 19606 1 12 . 1 1 3 3 LEU H H 1 8.542 0.000 . 1 . . . A 3 LEU H . 19606 1 13 . 1 1 3 3 LEU HA H 1 4.356 0.000 . 1 . . . A 3 LEU HA . 19606 1 14 . 1 1 3 3 LEU HB2 H 1 1.678 0.000 . 2 . . . A 3 LEU HB2 . 19606 1 15 . 1 1 3 3 LEU HB3 H 1 1.596 0.000 . 2 . . . A 3 LEU HB3 . 19606 1 16 . 1 1 3 3 LEU HG H 1 1.664 0.001 . 1 . . . A 3 LEU HG . 19606 1 17 . 1 1 3 3 LEU HD11 H 1 0.928 0.000 . 2 . . . A 3 LEU HD11 . 19606 1 18 . 1 1 3 3 LEU HD12 H 1 0.928 0.000 . 2 . . . A 3 LEU HD12 . 19606 1 19 . 1 1 3 3 LEU HD13 H 1 0.928 0.000 . 2 . . . A 3 LEU HD13 . 19606 1 20 . 1 1 3 3 LEU HD21 H 1 0.889 0.000 . 2 . . . A 3 LEU HD21 . 19606 1 21 . 1 1 3 3 LEU HD22 H 1 0.889 0.000 . 2 . . . A 3 LEU HD22 . 19606 1 22 . 1 1 3 3 LEU HD23 H 1 0.889 0.000 . 2 . . . A 3 LEU HD23 . 19606 1 23 . 1 1 3 3 LEU CA C 13 55.432 0.004 . 1 . . . A 3 LEU CA . 19606 1 24 . 1 1 3 3 LEU CB C 13 42.314 0.006 . 1 . . . A 3 LEU CB . 19606 1 25 . 1 1 3 3 LEU CG C 13 27.064 0.012 . 1 . . . A 3 LEU CG . 19606 1 26 . 1 1 3 3 LEU CD1 C 13 24.916 0.019 . 2 . . . A 3 LEU CD1 . 19606 1 27 . 1 1 3 3 LEU CD2 C 13 23.591 0.014 . 2 . . . A 3 LEU CD2 . 19606 1 28 . 1 1 3 3 LEU N N 15 122.408 0.000 . 1 . . . A 3 LEU N . 19606 1 29 . 1 1 4 4 GLY H H 1 8.406 0.000 . 1 . . . A 4 GLY H . 19606 1 30 . 1 1 4 4 GLY HA2 H 1 3.958 0.000 . 1 . . . A 4 GLY HA2 . 19606 1 31 . 1 1 4 4 GLY HA3 H 1 3.958 0.000 . 1 . . . A 4 GLY HA3 . 19606 1 32 . 1 1 4 4 GLY CA C 13 45.294 0.012 . 1 . . . A 4 GLY CA . 19606 1 33 . 1 1 4 4 GLY N N 15 109.946 0.000 . 1 . . . A 4 GLY N . 19606 1 34 . 1 1 5 5 SER H H 1 8.216 0.000 . 1 . . . A 5 SER H . 19606 1 35 . 1 1 5 5 SER HA H 1 4.501 0.000 . 1 . . . A 5 SER HA . 19606 1 36 . 1 1 5 5 SER HB2 H 1 3.793 0.001 . 2 . . . A 5 SER HB2 . 19606 1 37 . 1 1 5 5 SER HB3 H 1 3.882 0.000 . 2 . . . A 5 SER HB3 . 19606 1 38 . 1 1 5 5 SER CA C 13 58.036 0.008 . 1 . . . A 5 SER CA . 19606 1 39 . 1 1 5 5 SER CB C 13 64.169 0.003 . 1 . . . A 5 SER CB . 19606 1 40 . 1 1 5 5 SER N N 15 115.532 0.000 . 1 . . . A 5 SER N . 19606 1 41 . 1 1 6 6 SER H H 1 8.460 0.000 . 1 . . . A 6 SER H . 19606 1 42 . 1 1 6 6 SER HA H 1 4.420 0.000 . 1 . . . A 6 SER HA . 19606 1 43 . 1 1 6 6 SER HB2 H 1 3.851 0.001 . 2 . . . A 6 SER HB2 . 19606 1 44 . 1 1 6 6 SER HB3 H 1 3.916 0.001 . 2 . . . A 6 SER HB3 . 19606 1 45 . 1 1 6 6 SER CA C 13 58.902 0.009 . 1 . . . A 6 SER CA . 19606 1 46 . 1 1 6 6 SER CB C 13 63.798 0.009 . 1 . . . A 6 SER CB . 19606 1 47 . 1 1 6 6 SER N N 15 117.955 0.000 . 1 . . . A 6 SER N . 19606 1 48 . 1 1 7 7 GLU H H 1 8.550 0.000 . 1 . . . A 7 GLU H . 19606 1 49 . 1 1 7 7 GLU HA H 1 4.025 0.000 . 1 . . . A 7 GLU HA . 19606 1 50 . 1 1 7 7 GLU HB2 H 1 1.944 0.000 . 2 . . . A 7 GLU HB2 . 19606 1 51 . 1 1 7 7 GLU HB3 H 1 2.006 0.001 . 2 . . . A 7 GLU HB3 . 19606 1 52 . 1 1 7 7 GLU HG2 H 1 2.258 0.000 . 1 . . . A 7 GLU HG2 . 19606 1 53 . 1 1 7 7 GLU HG3 H 1 2.258 0.000 . 1 . . . A 7 GLU HG3 . 19606 1 54 . 1 1 7 7 GLU CA C 13 58.068 0.031 . 1 . . . A 7 GLU CA . 19606 1 55 . 1 1 7 7 GLU CB C 13 29.753 0.014 . 1 . . . A 7 GLU CB . 19606 1 56 . 1 1 7 7 GLU CG C 13 36.271 0.001 . 1 . . . A 7 GLU CG . 19606 1 57 . 1 1 7 7 GLU N N 15 122.747 0.000 . 1 . . . A 7 GLU N . 19606 1 58 . 1 1 8 8 ASP H H 1 8.293 0.000 . 1 . . . A 8 ASP H . 19606 1 59 . 1 1 8 8 ASP HA H 1 4.495 0.000 . 1 . . . A 8 ASP HA . 19606 1 60 . 1 1 8 8 ASP HB2 H 1 2.675 0.000 . 2 . . . A 8 ASP HB2 . 19606 1 61 . 1 1 8 8 ASP HB3 H 1 2.705 0.000 . 2 . . . A 8 ASP HB3 . 19606 1 62 . 1 1 8 8 ASP CA C 13 55.590 0.015 . 1 . . . A 8 ASP CA . 19606 1 63 . 1 1 8 8 ASP CB C 13 40.662 0.006 . 1 . . . A 8 ASP CB . 19606 1 64 . 1 1 8 8 ASP N N 15 120.868 0.000 . 1 . . . A 8 ASP N . 19606 1 65 . 1 1 9 9 GLN H H 1 8.290 0.000 . 1 . . . A 9 GLN H . 19606 1 66 . 1 1 9 9 GLN HA H 1 4.335 0.000 . 1 . . . A 9 GLN HA . 19606 1 67 . 1 1 9 9 GLN HB2 H 1 2.006 0.003 . 2 . . . A 9 GLN HB2 . 19606 1 68 . 1 1 9 9 GLN HB3 H 1 2.217 0.002 . 2 . . . A 9 GLN HB3 . 19606 1 69 . 1 1 9 9 GLN HG2 H 1 2.356 0.001 . 2 . . . A 9 GLN HG2 . 19606 1 70 . 1 1 9 9 GLN HG3 H 1 2.290 0.000 . 2 . . . A 9 GLN HG3 . 19606 1 71 . 1 1 9 9 GLN CA C 13 57.493 0.005 . 1 . . . A 9 GLN CA . 19606 1 72 . 1 1 9 9 GLN CB C 13 28.739 0.018 . 1 . . . A 9 GLN CB . 19606 1 73 . 1 1 9 9 GLN CG C 13 33.956 0.012 . 1 . . . A 9 GLN CG . 19606 1 74 . 1 1 9 9 GLN N N 15 121.706 0.000 . 1 . . . A 9 GLN N . 19606 1 75 . 1 1 10 10 THR H H 1 8.193 0.000 . 1 . . . A 10 THR H . 19606 1 76 . 1 1 10 10 THR HA H 1 3.802 0.000 . 1 . . . A 10 THR HA . 19606 1 77 . 1 1 10 10 THR HB H 1 4.246 0.001 . 1 . . . A 10 THR HB . 19606 1 78 . 1 1 10 10 THR HG21 H 1 1.235 0.000 . 1 . . . A 10 THR HG21 . 19606 1 79 . 1 1 10 10 THR HG22 H 1 1.235 0.000 . 1 . . . A 10 THR HG22 . 19606 1 80 . 1 1 10 10 THR HG23 H 1 1.235 0.000 . 1 . . . A 10 THR HG23 . 19606 1 81 . 1 1 10 10 THR CA C 13 67.728 0.005 . 1 . . . A 10 THR CA . 19606 1 82 . 1 1 10 10 THR CB C 13 68.615 0.007 . 1 . . . A 10 THR CB . 19606 1 83 . 1 1 10 10 THR CG2 C 13 22.164 0.011 . 1 . . . A 10 THR CG2 . 19606 1 84 . 1 1 10 10 THR N N 15 115.700 0.000 . 1 . . . A 10 THR N . 19606 1 85 . 1 1 11 11 ALA H H 1 8.242 0.000 . 1 . . . A 11 ALA H . 19606 1 86 . 1 1 11 11 ALA HA H 1 4.029 0.001 . 1 . . . A 11 ALA HA . 19606 1 87 . 1 1 11 11 ALA HB1 H 1 1.468 0.000 . 1 . . . A 11 ALA HB1 . 19606 1 88 . 1 1 11 11 ALA HB2 H 1 1.468 0.000 . 1 . . . A 11 ALA HB2 . 19606 1 89 . 1 1 11 11 ALA HB3 H 1 1.468 0.000 . 1 . . . A 11 ALA HB3 . 19606 1 90 . 1 1 11 11 ALA CA C 13 55.685 0.046 . 1 . . . A 11 ALA CA . 19606 1 91 . 1 1 11 11 ALA CB C 13 17.965 0.011 . 1 . . . A 11 ALA CB . 19606 1 92 . 1 1 11 11 ALA N N 15 123.074 0.000 . 1 . . . A 11 ALA N . 19606 1 93 . 1 1 12 12 ALA H H 1 7.994 0.000 . 1 . . . A 12 ALA H . 19606 1 94 . 1 1 12 12 ALA HA H 1 4.174 0.000 . 1 . . . A 12 ALA HA . 19606 1 95 . 1 1 12 12 ALA HB1 H 1 1.501 0.000 . 1 . . . A 12 ALA HB1 . 19606 1 96 . 1 1 12 12 ALA HB2 H 1 1.501 0.000 . 1 . . . A 12 ALA HB2 . 19606 1 97 . 1 1 12 12 ALA HB3 H 1 1.501 0.000 . 1 . . . A 12 ALA HB3 . 19606 1 98 . 1 1 12 12 ALA CA C 13 54.962 0.002 . 1 . . . A 12 ALA CA . 19606 1 99 . 1 1 12 12 ALA CB C 13 18.209 0.008 . 1 . . . A 12 ALA CB . 19606 1 100 . 1 1 12 12 ALA N N 15 121.630 0.000 . 1 . . . A 12 ALA N . 19606 1 101 . 1 1 13 13 LEU H H 1 8.084 0.000 . 1 . . . A 13 LEU H . 19606 1 102 . 1 1 13 13 LEU HA H 1 4.180 0.003 . 1 . . . A 13 LEU HA . 19606 1 103 . 1 1 13 13 LEU HB2 H 1 2.085 0.000 . 2 . . . A 13 LEU HB2 . 19606 1 104 . 1 1 13 13 LEU HB3 H 1 1.423 0.003 . 2 . . . A 13 LEU HB3 . 19606 1 105 . 1 1 13 13 LEU HG H 1 2.093 0.001 . 1 . . . A 13 LEU HG . 19606 1 106 . 1 1 13 13 LEU HD11 H 1 1.014 0.001 . 2 . . . A 13 LEU HD11 . 19606 1 107 . 1 1 13 13 LEU HD12 H 1 1.014 0.001 . 2 . . . A 13 LEU HD12 . 19606 1 108 . 1 1 13 13 LEU HD13 H 1 1.014 0.001 . 2 . . . A 13 LEU HD13 . 19606 1 109 . 1 1 13 13 LEU HD21 H 1 1.128 0.000 . 2 . . . A 13 LEU HD21 . 19606 1 110 . 1 1 13 13 LEU HD22 H 1 1.128 0.000 . 2 . . . A 13 LEU HD22 . 19606 1 111 . 1 1 13 13 LEU HD23 H 1 1.128 0.000 . 2 . . . A 13 LEU HD23 . 19606 1 112 . 1 1 13 13 LEU CA C 13 58.084 0.002 . 1 . . . A 13 LEU CA . 19606 1 113 . 1 1 13 13 LEU CB C 13 42.138 0.032 . 1 . . . A 13 LEU CB . 19606 1 114 . 1 1 13 13 LEU CG C 13 27.110 0.022 . 1 . . . A 13 LEU CG . 19606 1 115 . 1 1 13 13 LEU CD1 C 13 23.043 0.011 . 2 . . . A 13 LEU CD1 . 19606 1 116 . 1 1 13 13 LEU CD2 C 13 27.184 0.013 . 2 . . . A 13 LEU CD2 . 19606 1 117 . 1 1 13 13 LEU N N 15 118.959 0.000 . 1 . . . A 13 LEU N . 19606 1 118 . 1 1 14 14 MET H H 1 8.735 0.000 . 1 . . . A 14 MET H . 19606 1 119 . 1 1 14 14 MET HA H 1 4.251 0.001 . 1 . . . A 14 MET HA . 19606 1 120 . 1 1 14 14 MET HB2 H 1 2.069 0.000 . 1 . . . A 14 MET HB2 . 19606 1 121 . 1 1 14 14 MET HG2 H 1 2.326 0.000 . 2 . . . A 14 MET HG2 . 19606 1 122 . 1 1 14 14 MET HG3 H 1 2.605 0.000 . 2 . . . A 14 MET HG3 . 19606 1 123 . 1 1 14 14 MET HE1 H 1 2.217 0.001 . 1 . . . A 14 MET HE1 . 19606 1 124 . 1 1 14 14 MET HE2 H 1 2.217 0.001 . 1 . . . A 14 MET HE2 . 19606 1 125 . 1 1 14 14 MET HE3 H 1 2.217 0.001 . 1 . . . A 14 MET HE3 . 19606 1 126 . 1 1 14 14 MET CA C 13 57.168 0.009 . 1 . . . A 14 MET CA . 19606 1 127 . 1 1 14 14 MET CB C 13 30.824 0.020 . 1 . . . A 14 MET CB . 19606 1 128 . 1 1 14 14 MET CG C 13 32.673 0.021 . 1 . . . A 14 MET CG . 19606 1 129 . 1 1 14 14 MET N N 15 118.344 0.000 . 1 . . . A 14 MET N . 19606 1 130 . 1 1 15 15 ALA H H 1 7.934 0.000 . 1 . . . A 15 ALA H . 19606 1 131 . 1 1 15 15 ALA HA H 1 4.132 0.001 . 1 . . . A 15 ALA HA . 19606 1 132 . 1 1 15 15 ALA HB1 H 1 1.502 0.001 . 1 . . . A 15 ALA HB1 . 19606 1 133 . 1 1 15 15 ALA HB2 H 1 1.502 0.001 . 1 . . . A 15 ALA HB2 . 19606 1 134 . 1 1 15 15 ALA HB3 H 1 1.502 0.001 . 1 . . . A 15 ALA HB3 . 19606 1 135 . 1 1 15 15 ALA CA C 13 55.284 0.009 . 1 . . . A 15 ALA CA . 19606 1 136 . 1 1 15 15 ALA CB C 13 17.851 0.012 . 1 . . . A 15 ALA CB . 19606 1 137 . 1 1 15 15 ALA N N 15 121.078 0.000 . 1 . . . A 15 ALA N . 19606 1 138 . 1 1 16 16 HIS H H 1 7.779 0.000 . 1 . . . A 16 HIS H . 19606 1 139 . 1 1 16 16 HIS HA H 1 4.540 0.000 . 1 . . . A 16 HIS HA . 19606 1 140 . 1 1 16 16 HIS HB2 H 1 3.335 0.000 . 1 . . . A 16 HIS HB2 . 19606 1 141 . 1 1 16 16 HIS HB3 H 1 3.335 0.000 . 1 . . . A 16 HIS HB3 . 19606 1 142 . 1 1 16 16 HIS HD2 H 1 6.960 0.000 . 1 . . . A 16 HIS HD2 . 19606 1 143 . 1 1 16 16 HIS CA C 13 58.801 0.003 . 1 . . . A 16 HIS CA . 19606 1 144 . 1 1 16 16 HIS CB C 13 29.589 0.009 . 1 . . . A 16 HIS CB . 19606 1 145 . 1 1 16 16 HIS CD2 C 13 120.475 0.000 . 1 . . . A 16 HIS CD2 . 19606 1 146 . 1 1 16 16 HIS N N 15 117.529 0.000 . 1 . . . A 16 HIS N . 19606 1 147 . 1 1 17 17 LEU H H 1 8.108 0.000 . 1 . . . A 17 LEU H . 19606 1 148 . 1 1 17 17 LEU HA H 1 4.193 0.001 . 1 . . . A 17 LEU HA . 19606 1 149 . 1 1 17 17 LEU HB2 H 1 1.778 0.005 . 2 . . . A 17 LEU HB2 . 19606 1 150 . 1 1 17 17 LEU HB3 H 1 2.233 0.001 . 2 . . . A 17 LEU HB3 . 19606 1 151 . 1 1 17 17 LEU HG H 1 1.913 0.000 . 1 . . . A 17 LEU HG . 19606 1 152 . 1 1 17 17 LEU HD11 H 1 0.789 0.000 . 2 . . . A 17 LEU HD11 . 19606 1 153 . 1 1 17 17 LEU HD12 H 1 0.789 0.000 . 2 . . . A 17 LEU HD12 . 19606 1 154 . 1 1 17 17 LEU HD13 H 1 0.789 0.000 . 2 . . . A 17 LEU HD13 . 19606 1 155 . 1 1 17 17 LEU HD21 H 1 0.754 0.000 . 2 . . . A 17 LEU HD21 . 19606 1 156 . 1 1 17 17 LEU HD22 H 1 0.754 0.000 . 2 . . . A 17 LEU HD22 . 19606 1 157 . 1 1 17 17 LEU HD23 H 1 0.754 0.000 . 2 . . . A 17 LEU HD23 . 19606 1 158 . 1 1 17 17 LEU CA C 13 58.663 0.002 . 1 . . . A 17 LEU CA . 19606 1 159 . 1 1 17 17 LEU CB C 13 41.036 0.005 . 1 . . . A 17 LEU CB . 19606 1 160 . 1 1 17 17 LEU CG C 13 26.800 0.000 . 1 . . . A 17 LEU CG . 19606 1 161 . 1 1 17 17 LEU CD1 C 13 25.920 0.016 . 2 . . . A 17 LEU CD1 . 19606 1 162 . 1 1 17 17 LEU CD2 C 13 23.171 0.012 . 2 . . . A 17 LEU CD2 . 19606 1 163 . 1 1 17 17 LEU N N 15 118.416 0.000 . 1 . . . A 17 LEU N . 19606 1 164 . 1 1 18 18 PHE H H 1 8.671 0.000 . 1 . . . A 18 PHE H . 19606 1 165 . 1 1 18 18 PHE HA H 1 4.238 0.000 . 1 . . . A 18 PHE HA . 19606 1 166 . 1 1 18 18 PHE HB2 H 1 3.376 0.000 . 2 . . . A 18 PHE HB2 . 19606 1 167 . 1 1 18 18 PHE HB3 H 1 3.181 0.001 . 2 . . . A 18 PHE HB3 . 19606 1 168 . 1 1 18 18 PHE HD1 H 1 7.390 0.000 . 3 . . . A 18 PHE HD1 . 19606 1 169 . 1 1 18 18 PHE HD2 H 1 7.390 0.000 . 3 . . . A 18 PHE HD2 . 19606 1 170 . 1 1 18 18 PHE HE1 H 1 7.286 0.000 . 3 . . . A 18 PHE HE1 . 19606 1 171 . 1 1 18 18 PHE HE2 H 1 7.286 0.000 . 3 . . . A 18 PHE HE2 . 19606 1 172 . 1 1 18 18 PHE CA C 13 60.141 0.001 . 1 . . . A 18 PHE CA . 19606 1 173 . 1 1 18 18 PHE CB C 13 38.486 0.010 . 1 . . . A 18 PHE CB . 19606 1 174 . 1 1 18 18 PHE CD1 C 13 131.608 0.000 . 3 . . . A 18 PHE CD1 . 19606 1 175 . 1 1 18 18 PHE CD2 C 13 131.608 0.000 . 3 . . . A 18 PHE CD2 . 19606 1 176 . 1 1 18 18 PHE CE1 C 13 130.761 0.000 . 3 . . . A 18 PHE CE1 . 19606 1 177 . 1 1 18 18 PHE CE2 C 13 130.761 0.000 . 3 . . . A 18 PHE CE2 . 19606 1 178 . 1 1 18 18 PHE N N 15 120.735 0.000 . 1 . . . A 18 PHE N . 19606 1 179 . 1 1 19 19 GLU H H 1 8.274 0.000 . 1 . . . A 19 GLU H . 19606 1 180 . 1 1 19 19 GLU HA H 1 4.048 0.003 . 1 . . . A 19 GLU HA . 19606 1 181 . 1 1 19 19 GLU HB2 H 1 2.258 0.001 . 2 . . . A 19 GLU HB2 . 19606 1 182 . 1 1 19 19 GLU HB3 H 1 2.173 0.001 . 2 . . . A 19 GLU HB3 . 19606 1 183 . 1 1 19 19 GLU HG2 H 1 2.450 0.002 . 1 . . . A 19 GLU HG2 . 19606 1 184 . 1 1 19 19 GLU HG3 H 1 2.450 0.002 . 1 . . . A 19 GLU HG3 . 19606 1 185 . 1 1 19 19 GLU CA C 13 58.995 0.059 . 1 . . . A 19 GLU CA . 19606 1 186 . 1 1 19 19 GLU CB C 13 29.401 0.012 . 1 . . . A 19 GLU CB . 19606 1 187 . 1 1 19 19 GLU CG C 13 36.431 0.004 . 1 . . . A 19 GLU CG . 19606 1 188 . 1 1 19 19 GLU N N 15 120.792 0.000 . 1 . . . A 19 GLU N . 19606 1 189 . 1 1 20 20 MET H H 1 7.428 0.000 . 1 . . . A 20 MET H . 19606 1 190 . 1 1 20 20 MET HA H 1 4.171 0.002 . 1 . . . A 20 MET HA . 19606 1 191 . 1 1 20 20 MET HB2 H 1 2.343 0.000 . 2 . . . A 20 MET HB2 . 19606 1 192 . 1 1 20 20 MET HB3 H 1 2.195 0.001 . 2 . . . A 20 MET HB3 . 19606 1 193 . 1 1 20 20 MET HG2 H 1 2.746 0.001 . 2 . . . A 20 MET HG2 . 19606 1 194 . 1 1 20 20 MET HG3 H 1 2.415 0.002 . 2 . . . A 20 MET HG3 . 19606 1 195 . 1 1 20 20 MET CA C 13 56.651 0.002 . 1 . . . A 20 MET CA . 19606 1 196 . 1 1 20 20 MET CB C 13 34.798 0.039 . 1 . . . A 20 MET CB . 19606 1 197 . 1 1 20 20 MET CG C 13 32.776 0.008 . 1 . . . A 20 MET CG . 19606 1 198 . 1 1 20 20 MET N N 15 116.057 0.000 . 1 . . . A 20 MET N . 19606 1 199 . 1 1 21 21 GLY H H 1 7.655 0.000 . 1 . . . A 21 GLY H . 19606 1 200 . 1 1 21 21 GLY HA2 H 1 3.400 0.011 . 2 . . . A 21 GLY HA2 . 19606 1 201 . 1 1 21 21 GLY HA3 H 1 3.979 0.000 . 2 . . . A 21 GLY HA3 . 19606 1 202 . 1 1 21 21 GLY CA C 13 44.857 0.005 . 1 . . . A 21 GLY CA . 19606 1 203 . 1 1 21 21 GLY N N 15 104.987 0.000 . 1 . . . A 21 GLY N . 19606 1 204 . 1 1 22 22 PHE H H 1 7.893 0.000 . 1 . . . A 22 PHE H . 19606 1 205 . 1 1 22 22 PHE HA H 1 4.841 0.000 . 1 . . . A 22 PHE HA . 19606 1 206 . 1 1 22 22 PHE HB2 H 1 2.910 0.001 . 2 . . . A 22 PHE HB2 . 19606 1 207 . 1 1 22 22 PHE HB3 H 1 3.449 0.002 . 2 . . . A 22 PHE HB3 . 19606 1 208 . 1 1 22 22 PHE HD1 H 1 7.035 0.000 . 3 . . . A 22 PHE HD1 . 19606 1 209 . 1 1 22 22 PHE HD2 H 1 7.035 0.000 . 3 . . . A 22 PHE HD2 . 19606 1 210 . 1 1 22 22 PHE HE1 H 1 7.191 0.000 . 3 . . . A 22 PHE HE1 . 19606 1 211 . 1 1 22 22 PHE HE2 H 1 7.191 0.000 . 3 . . . A 22 PHE HE2 . 19606 1 212 . 1 1 22 22 PHE CA C 13 56.627 0.001 . 1 . . . A 22 PHE CA . 19606 1 213 . 1 1 22 22 PHE CB C 13 37.409 0.006 . 1 . . . A 22 PHE CB . 19606 1 214 . 1 1 22 22 PHE CD1 C 13 128.937 0.000 . 3 . . . A 22 PHE CD1 . 19606 1 215 . 1 1 22 22 PHE CD2 C 13 128.937 0.000 . 3 . . . A 22 PHE CD2 . 19606 1 216 . 1 1 22 22 PHE CE1 C 13 131.154 0.000 . 3 . . . A 22 PHE CE1 . 19606 1 217 . 1 1 22 22 PHE CE2 C 13 131.154 0.000 . 3 . . . A 22 PHE CE2 . 19606 1 218 . 1 1 22 22 PHE N N 15 123.944 0.000 . 1 . . . A 22 PHE N . 19606 1 219 . 1 1 23 23 CYS H H 1 7.872 0.000 . 1 . . . A 23 CYS H . 19606 1 220 . 1 1 23 23 CYS HA H 1 3.883 0.000 . 1 . . . A 23 CYS HA . 19606 1 221 . 1 1 23 23 CYS HB2 H 1 2.514 0.000 . 2 . . . A 23 CYS HB2 . 19606 1 222 . 1 1 23 23 CYS HB3 H 1 2.917 0.001 . 2 . . . A 23 CYS HB3 . 19606 1 223 . 1 1 23 23 CYS CA C 13 57.848 0.009 . 1 . . . A 23 CYS CA . 19606 1 224 . 1 1 23 23 CYS CB C 13 28.368 0.009 . 1 . . . A 23 CYS CB . 19606 1 225 . 1 1 23 23 CYS N N 15 119.030 0.000 . 1 . . . A 23 CYS N . 19606 1 226 . 1 1 24 24 ASP H H 1 9.239 0.000 . 1 . . . A 24 ASP H . 19606 1 227 . 1 1 24 24 ASP HA H 1 4.732 0.000 . 1 . . . A 24 ASP HA . 19606 1 228 . 1 1 24 24 ASP HB2 H 1 2.401 0.001 . 2 . . . A 24 ASP HB2 . 19606 1 229 . 1 1 24 24 ASP HB3 H 1 3.329 0.000 . 2 . . . A 24 ASP HB3 . 19606 1 230 . 1 1 24 24 ASP CA C 13 52.560 0.022 . 1 . . . A 24 ASP CA . 19606 1 231 . 1 1 24 24 ASP CB C 13 40.308 0.003 . 1 . . . A 24 ASP CB . 19606 1 232 . 1 1 24 24 ASP N N 15 123.683 0.000 . 1 . . . A 24 ASP N . 19606 1 233 . 1 1 25 25 ARG H H 1 8.311 0.000 . 1 . . . A 25 ARG H . 19606 1 234 . 1 1 25 25 ARG HA H 1 4.000 0.001 . 1 . . . A 25 ARG HA . 19606 1 235 . 1 1 25 25 ARG HB2 H 1 1.941 0.006 . 2 . . . A 25 ARG HB2 . 19606 1 236 . 1 1 25 25 ARG HB3 H 1 2.039 0.002 . 2 . . . A 25 ARG HB3 . 19606 1 237 . 1 1 25 25 ARG HG2 H 1 1.861 0.001 . 2 . . . A 25 ARG HG2 . 19606 1 238 . 1 1 25 25 ARG HG3 H 1 1.713 0.000 . 2 . . . A 25 ARG HG3 . 19606 1 239 . 1 1 25 25 ARG HD2 H 1 3.292 0.001 . 1 . . . A 25 ARG HD2 . 19606 1 240 . 1 1 25 25 ARG HD3 H 1 3.292 0.001 . 1 . . . A 25 ARG HD3 . 19606 1 241 . 1 1 25 25 ARG CA C 13 60.689 0.000 . 1 . . . A 25 ARG CA . 19606 1 242 . 1 1 25 25 ARG CB C 13 31.249 0.025 . 1 . . . A 25 ARG CB . 19606 1 243 . 1 1 25 25 ARG CG C 13 28.000 0.015 . 1 . . . A 25 ARG CG . 19606 1 244 . 1 1 25 25 ARG CD C 13 43.395 0.007 . 1 . . . A 25 ARG CD . 19606 1 245 . 1 1 25 25 ARG N N 15 124.745 0.000 . 1 . . . A 25 ARG N . 19606 1 246 . 1 1 26 26 GLN H H 1 8.305 0.000 . 1 . . . A 26 GLN H . 19606 1 247 . 1 1 26 26 GLN HA H 1 4.032 0.001 . 1 . . . A 26 GLN HA . 19606 1 248 . 1 1 26 26 GLN HB3 H 1 2.164 0.030 . 1 . . . A 26 GLN HB3 . 19606 1 249 . 1 1 26 26 GLN HG2 H 1 2.529 0.003 . 2 . . . A 26 GLN HG2 . 19606 1 250 . 1 1 26 26 GLN HG3 H 1 2.437 0.004 . 2 . . . A 26 GLN HG3 . 19606 1 251 . 1 1 26 26 GLN CA C 13 59.164 0.015 . 1 . . . A 26 GLN CA . 19606 1 252 . 1 1 26 26 GLN CB C 13 28.241 0.029 . 1 . . . A 26 GLN CB . 19606 1 253 . 1 1 26 26 GLN CG C 13 34.326 0.004 . 1 . . . A 26 GLN CG . 19606 1 254 . 1 1 26 26 GLN N N 15 115.947 0.000 . 1 . . . A 26 GLN N . 19606 1 255 . 1 1 27 27 LEU H H 1 7.650 0.000 . 1 . . . A 27 LEU H . 19606 1 256 . 1 1 27 27 LEU HA H 1 4.020 0.000 . 1 . . . A 27 LEU HA . 19606 1 257 . 1 1 27 27 LEU HB2 H 1 1.744 0.008 . 2 . . . A 27 LEU HB2 . 19606 1 258 . 1 1 27 27 LEU HB3 H 1 1.432 0.003 . 2 . . . A 27 LEU HB3 . 19606 1 259 . 1 1 27 27 LEU HG H 1 1.435 0.000 . 1 . . . A 27 LEU HG . 19606 1 260 . 1 1 27 27 LEU HD11 H 1 0.886 0.000 . 2 . . . A 27 LEU HD11 . 19606 1 261 . 1 1 27 27 LEU HD12 H 1 0.886 0.000 . 2 . . . A 27 LEU HD12 . 19606 1 262 . 1 1 27 27 LEU HD13 H 1 0.886 0.000 . 2 . . . A 27 LEU HD13 . 19606 1 263 . 1 1 27 27 LEU HD21 H 1 0.906 0.000 . 2 . . . A 27 LEU HD21 . 19606 1 264 . 1 1 27 27 LEU HD22 H 1 0.906 0.000 . 2 . . . A 27 LEU HD22 . 19606 1 265 . 1 1 27 27 LEU HD23 H 1 0.906 0.000 . 2 . . . A 27 LEU HD23 . 19606 1 266 . 1 1 27 27 LEU CA C 13 57.684 0.003 . 1 . . . A 27 LEU CA . 19606 1 267 . 1 1 27 27 LEU CB C 13 41.635 0.047 . 1 . . . A 27 LEU CB . 19606 1 268 . 1 1 27 27 LEU CG C 13 27.065 0.014 . 1 . . . A 27 LEU CG . 19606 1 269 . 1 1 27 27 LEU CD1 C 13 22.729 0.012 . 2 . . . A 27 LEU CD1 . 19606 1 270 . 1 1 27 27 LEU CD2 C 13 26.541 0.014 . 2 . . . A 27 LEU CD2 . 19606 1 271 . 1 1 27 27 LEU N N 15 124.102 0.000 . 1 . . . A 27 LEU N . 19606 1 272 . 1 1 28 28 ASN H H 1 8.593 0.000 . 1 . . . A 28 ASN H . 19606 1 273 . 1 1 28 28 ASN HA H 1 4.051 0.000 . 1 . . . A 28 ASN HA . 19606 1 274 . 1 1 28 28 ASN HB2 H 1 2.411 0.008 . 2 . . . A 28 ASN HB2 . 19606 1 275 . 1 1 28 28 ASN HB3 H 1 2.863 0.003 . 2 . . . A 28 ASN HB3 . 19606 1 276 . 1 1 28 28 ASN HD21 H 1 6.135 0.000 . 1 . . . A 28 ASN HD21 . 19606 1 277 . 1 1 28 28 ASN HD22 H 1 6.644 0.000 . 1 . . . A 28 ASN HD22 . 19606 1 278 . 1 1 28 28 ASN CA C 13 55.899 0.011 . 1 . . . A 28 ASN CA . 19606 1 279 . 1 1 28 28 ASN CB C 13 38.283 0.012 . 1 . . . A 28 ASN CB . 19606 1 280 . 1 1 28 28 ASN N N 15 117.933 0.000 . 1 . . . A 28 ASN N . 19606 1 281 . 1 1 29 29 LEU H H 1 8.255 0.000 . 1 . . . A 29 LEU H . 19606 1 282 . 1 1 29 29 LEU HA H 1 4.029 0.000 . 1 . . . A 29 LEU HA . 19606 1 283 . 1 1 29 29 LEU HB2 H 1 1.737 0.001 . 1 . . . A 29 LEU HB2 . 19606 1 284 . 1 1 29 29 LEU HB3 H 1 1.737 0.001 . 1 . . . A 29 LEU HB3 . 19606 1 285 . 1 1 29 29 LEU HG H 1 1.754 0.000 . 1 . . . A 29 LEU HG . 19606 1 286 . 1 1 29 29 LEU HD11 H 1 0.966 0.000 . 2 . . . A 29 LEU HD11 . 19606 1 287 . 1 1 29 29 LEU HD12 H 1 0.966 0.000 . 2 . . . A 29 LEU HD12 . 19606 1 288 . 1 1 29 29 LEU HD13 H 1 0.966 0.000 . 2 . . . A 29 LEU HD13 . 19606 1 289 . 1 1 29 29 LEU HD21 H 1 0.935 0.000 . 2 . . . A 29 LEU HD21 . 19606 1 290 . 1 1 29 29 LEU HD22 H 1 0.935 0.000 . 2 . . . A 29 LEU HD22 . 19606 1 291 . 1 1 29 29 LEU HD23 H 1 0.935 0.000 . 2 . . . A 29 LEU HD23 . 19606 1 292 . 1 1 29 29 LEU CA C 13 58.227 0.000 . 1 . . . A 29 LEU CA . 19606 1 293 . 1 1 29 29 LEU CB C 13 42.176 0.006 . 1 . . . A 29 LEU CB . 19606 1 294 . 1 1 29 29 LEU CG C 13 26.976 0.000 . 1 . . . A 29 LEU CG . 19606 1 295 . 1 1 29 29 LEU CD1 C 13 24.287 0.000 . 2 . . . A 29 LEU CD1 . 19606 1 296 . 1 1 29 29 LEU CD2 C 13 24.368 0.000 . 2 . . . A 29 LEU CD2 . 19606 1 297 . 1 1 29 29 LEU N N 15 119.088 0.000 . 1 . . . A 29 LEU N . 19606 1 298 . 1 1 30 30 ARG H H 1 7.658 0.000 . 1 . . . A 30 ARG H . 19606 1 299 . 1 1 30 30 ARG HA H 1 3.975 0.001 . 1 . . . A 30 ARG HA . 19606 1 300 . 1 1 30 30 ARG HB2 H 1 1.991 0.000 . 1 . . . A 30 ARG HB2 . 19606 1 301 . 1 1 30 30 ARG HB3 H 1 1.991 0.000 . 1 . . . A 30 ARG HB3 . 19606 1 302 . 1 1 30 30 ARG HG2 H 1 1.775 0.001 . 2 . . . A 30 ARG HG2 . 19606 1 303 . 1 1 30 30 ARG HG3 H 1 1.560 0.000 . 2 . . . A 30 ARG HG3 . 19606 1 304 . 1 1 30 30 ARG HD2 H 1 3.221 0.000 . 1 . . . A 30 ARG HD2 . 19606 1 305 . 1 1 30 30 ARG HD3 H 1 3.221 0.000 . 1 . . . A 30 ARG HD3 . 19606 1 306 . 1 1 30 30 ARG CA C 13 59.874 0.003 . 1 . . . A 30 ARG CA . 19606 1 307 . 1 1 30 30 ARG CB C 13 30.139 0.009 . 1 . . . A 30 ARG CB . 19606 1 308 . 1 1 30 30 ARG CG C 13 27.707 0.030 . 1 . . . A 30 ARG CG . 19606 1 309 . 1 1 30 30 ARG CD C 13 43.841 0.012 . 1 . . . A 30 ARG CD . 19606 1 310 . 1 1 30 30 ARG N N 15 119.126 0.000 . 1 . . . A 30 ARG N . 19606 1 311 . 1 1 31 31 LEU H H 1 8.557 0.000 . 1 . . . A 31 LEU H . 19606 1 312 . 1 1 31 31 LEU HA H 1 4.050 0.000 . 1 . . . A 31 LEU HA . 19606 1 313 . 1 1 31 31 LEU HB2 H 1 1.291 0.004 . 2 . . . A 31 LEU HB2 . 19606 1 314 . 1 1 31 31 LEU HB3 H 1 1.986 0.000 . 2 . . . A 31 LEU HB3 . 19606 1 315 . 1 1 31 31 LEU HG H 1 1.922 0.005 . 1 . . . A 31 LEU HG . 19606 1 316 . 1 1 31 31 LEU HD11 H 1 0.808 0.000 . 2 . . . A 31 LEU HD11 . 19606 1 317 . 1 1 31 31 LEU HD12 H 1 0.808 0.000 . 2 . . . A 31 LEU HD12 . 19606 1 318 . 1 1 31 31 LEU HD13 H 1 0.808 0.000 . 2 . . . A 31 LEU HD13 . 19606 1 319 . 1 1 31 31 LEU HD21 H 1 0.797 0.000 . 2 . . . A 31 LEU HD21 . 19606 1 320 . 1 1 31 31 LEU HD22 H 1 0.797 0.000 . 2 . . . A 31 LEU HD22 . 19606 1 321 . 1 1 31 31 LEU HD23 H 1 0.797 0.000 . 2 . . . A 31 LEU HD23 . 19606 1 322 . 1 1 31 31 LEU CA C 13 57.591 0.001 . 1 . . . A 31 LEU CA . 19606 1 323 . 1 1 31 31 LEU CB C 13 42.692 0.003 . 1 . . . A 31 LEU CB . 19606 1 324 . 1 1 31 31 LEU CG C 13 26.853 0.027 . 1 . . . A 31 LEU CG . 19606 1 325 . 1 1 31 31 LEU CD1 C 13 26.230 0.015 . 2 . . . A 31 LEU CD1 . 19606 1 326 . 1 1 31 31 LEU CD2 C 13 22.398 0.024 . 2 . . . A 31 LEU CD2 . 19606 1 327 . 1 1 31 31 LEU N N 15 119.791 0.000 . 1 . . . A 31 LEU N . 19606 1 328 . 1 1 32 32 LEU H H 1 8.822 0.000 . 1 . . . A 32 LEU H . 19606 1 329 . 1 1 32 32 LEU HA H 1 3.473 0.000 . 1 . . . A 32 LEU HA . 19606 1 330 . 1 1 32 32 LEU HB2 H 1 0.977 0.000 . 2 . . . A 32 LEU HB2 . 19606 1 331 . 1 1 32 32 LEU HB3 H 1 1.937 0.001 . 2 . . . A 32 LEU HB3 . 19606 1 332 . 1 1 32 32 LEU HG H 1 1.754 0.000 . 1 . . . A 32 LEU HG . 19606 1 333 . 1 1 32 32 LEU HD11 H 1 0.864 0.000 . 2 . . . A 32 LEU HD11 . 19606 1 334 . 1 1 32 32 LEU HD12 H 1 0.864 0.000 . 2 . . . A 32 LEU HD12 . 19606 1 335 . 1 1 32 32 LEU HD13 H 1 0.864 0.000 . 2 . . . A 32 LEU HD13 . 19606 1 336 . 1 1 32 32 LEU HD21 H 1 0.804 0.000 . 2 . . . A 32 LEU HD21 . 19606 1 337 . 1 1 32 32 LEU HD22 H 1 0.804 0.000 . 2 . . . A 32 LEU HD22 . 19606 1 338 . 1 1 32 32 LEU HD23 H 1 0.804 0.000 . 2 . . . A 32 LEU HD23 . 19606 1 339 . 1 1 32 32 LEU CA C 13 58.569 0.003 . 1 . . . A 32 LEU CA . 19606 1 340 . 1 1 32 32 LEU CB C 13 41.220 0.010 . 1 . . . A 32 LEU CB . 19606 1 341 . 1 1 32 32 LEU CG C 13 26.976 0.000 . 1 . . . A 32 LEU CG . 19606 1 342 . 1 1 32 32 LEU CD1 C 13 26.006 0.015 . 2 . . . A 32 LEU CD1 . 19606 1 343 . 1 1 32 32 LEU CD2 C 13 24.698 0.011 . 2 . . . A 32 LEU CD2 . 19606 1 344 . 1 1 32 32 LEU N N 15 121.080 0.000 . 1 . . . A 32 LEU N . 19606 1 345 . 1 1 33 33 LYS H H 1 7.510 0.000 . 1 . . . A 33 LYS H . 19606 1 346 . 1 1 33 33 LYS HA H 1 3.623 0.000 . 1 . . . A 33 LYS HA . 19606 1 347 . 1 1 33 33 LYS HB2 H 1 1.805 0.000 . 1 . . . A 33 LYS HB2 . 19606 1 348 . 1 1 33 33 LYS HB3 H 1 1.805 0.000 . 1 . . . A 33 LYS HB3 . 19606 1 349 . 1 1 33 33 LYS HG2 H 1 1.558 0.001 . 2 . . . A 33 LYS HG2 . 19606 1 350 . 1 1 33 33 LYS HG3 H 1 1.441 0.001 . 2 . . . A 33 LYS HG3 . 19606 1 351 . 1 1 33 33 LYS HD2 H 1 1.696 0.000 . 1 . . . A 33 LYS HD2 . 19606 1 352 . 1 1 33 33 LYS HD3 H 1 1.696 0.000 . 1 . . . A 33 LYS HD3 . 19606 1 353 . 1 1 33 33 LYS HE2 H 1 2.985 0.000 . 2 . . . A 33 LYS HE2 . 19606 1 354 . 1 1 33 33 LYS HE3 H 1 2.968 0.000 . 2 . . . A 33 LYS HE3 . 19606 1 355 . 1 1 33 33 LYS CA C 13 59.669 0.000 . 1 . . . A 33 LYS CA . 19606 1 356 . 1 1 33 33 LYS CB C 13 32.299 0.007 . 1 . . . A 33 LYS CB . 19606 1 357 . 1 1 33 33 LYS CG C 13 25.560 0.002 . 1 . . . A 33 LYS CG . 19606 1 358 . 1 1 33 33 LYS CD C 13 29.427 0.003 . 1 . . . A 33 LYS CD . 19606 1 359 . 1 1 33 33 LYS CE C 13 42.205 0.006 . 1 . . . A 33 LYS CE . 19606 1 360 . 1 1 33 33 LYS N N 15 116.581 0.000 . 1 . . . A 33 LYS N . 19606 1 361 . 1 1 34 34 LYS H H 1 7.915 0.000 . 1 . . . A 34 LYS H . 19606 1 362 . 1 1 34 34 LYS HA H 1 3.798 0.002 . 1 . . . A 34 LYS HA . 19606 1 363 . 1 1 34 34 LYS HB2 H 1 1.624 0.003 . 2 . . . A 34 LYS HB2 . 19606 1 364 . 1 1 34 34 LYS HB3 H 1 1.773 0.000 . 2 . . . A 34 LYS HB3 . 19606 1 365 . 1 1 34 34 LYS HG2 H 1 1.106 0.001 . 2 . . . A 34 LYS HG2 . 19606 1 366 . 1 1 34 34 LYS HD2 H 1 1.263 0.001 . 2 . . . A 34 LYS HD2 . 19606 1 367 . 1 1 34 34 LYS HD3 H 1 1.494 0.001 . 2 . . . A 34 LYS HD3 . 19606 1 368 . 1 1 34 34 LYS HE2 H 1 2.620 0.001 . 2 . . . A 34 LYS HE2 . 19606 1 369 . 1 1 34 34 LYS HE3 H 1 2.747 0.000 . 2 . . . A 34 LYS HE3 . 19606 1 370 . 1 1 34 34 LYS CA C 13 59.309 0.007 . 1 . . . A 34 LYS CA . 19606 1 371 . 1 1 34 34 LYS CB C 13 33.521 0.004 . 1 . . . A 34 LYS CB . 19606 1 372 . 1 1 34 34 LYS CG C 13 24.440 0.007 . 1 . . . A 34 LYS CG . 19606 1 373 . 1 1 34 34 LYS CD C 13 30.389 0.021 . 1 . . . A 34 LYS CD . 19606 1 374 . 1 1 34 34 LYS CE C 13 42.022 0.011 . 1 . . . A 34 LYS CE . 19606 1 375 . 1 1 34 34 LYS N N 15 121.781 0.000 . 1 . . . A 34 LYS N . 19606 1 376 . 1 1 35 35 HIS H H 1 7.662 0.000 . 1 . . . A 35 HIS H . 19606 1 377 . 1 1 35 35 HIS HA H 1 4.778 0.000 . 1 . . . A 35 HIS HA . 19606 1 378 . 1 1 35 35 HIS HB2 H 1 3.535 0.003 . 2 . . . A 35 HIS HB2 . 19606 1 379 . 1 1 35 35 HIS HB3 H 1 2.624 0.000 . 2 . . . A 35 HIS HB3 . 19606 1 380 . 1 1 35 35 HIS HD2 H 1 6.740 0.000 . 1 . . . A 35 HIS HD2 . 19606 1 381 . 1 1 35 35 HIS CA C 13 55.537 0.000 . 1 . . . A 35 HIS CA . 19606 1 382 . 1 1 35 35 HIS CB C 13 30.222 0.017 . 1 . . . A 35 HIS CB . 19606 1 383 . 1 1 35 35 HIS CD2 C 13 117.684 0.000 . 1 . . . A 35 HIS CD2 . 19606 1 384 . 1 1 35 35 HIS N N 15 113.017 0.000 . 1 . . . A 35 HIS N . 19606 1 385 . 1 1 36 36 ASN H H 1 7.781 0.000 . 1 . . . A 36 ASN H . 19606 1 386 . 1 1 36 36 ASN HA H 1 4.255 0.000 . 1 . . . A 36 ASN HA . 19606 1 387 . 1 1 36 36 ASN HB2 H 1 2.679 0.000 . 2 . . . A 36 ASN HB2 . 19606 1 388 . 1 1 36 36 ASN HB3 H 1 3.141 0.000 . 2 . . . A 36 ASN HB3 . 19606 1 389 . 1 1 36 36 ASN CA C 13 55.064 0.014 . 1 . . . A 36 ASN CA . 19606 1 390 . 1 1 36 36 ASN CB C 13 37.203 0.005 . 1 . . . A 36 ASN CB . 19606 1 391 . 1 1 36 36 ASN N N 15 119.419 0.000 . 1 . . . A 36 ASN N . 19606 1 392 . 1 1 37 37 TYR H H 1 9.103 0.000 . 1 . . . A 37 TYR H . 19606 1 393 . 1 1 37 37 TYR HA H 1 4.209 0.000 . 1 . . . A 37 TYR HA . 19606 1 394 . 1 1 37 37 TYR HB2 H 1 3.192 0.001 . 2 . . . A 37 TYR HB2 . 19606 1 395 . 1 1 37 37 TYR HB3 H 1 3.101 0.004 . 2 . . . A 37 TYR HB3 . 19606 1 396 . 1 1 37 37 TYR HD1 H 1 6.816 0.000 . 3 . . . A 37 TYR HD1 . 19606 1 397 . 1 1 37 37 TYR HD2 H 1 6.816 0.000 . 3 . . . A 37 TYR HD2 . 19606 1 398 . 1 1 37 37 TYR HE1 H 1 6.791 0.000 . 3 . . . A 37 TYR HE1 . 19606 1 399 . 1 1 37 37 TYR HE2 H 1 6.791 0.000 . 3 . . . A 37 TYR HE2 . 19606 1 400 . 1 1 37 37 TYR CA C 13 60.808 0.000 . 1 . . . A 37 TYR CA . 19606 1 401 . 1 1 37 37 TYR CB C 13 33.954 0.006 . 1 . . . A 37 TYR CB . 19606 1 402 . 1 1 37 37 TYR CD1 C 13 132.912 0.000 . 3 . . . A 37 TYR CD1 . 19606 1 403 . 1 1 37 37 TYR CD2 C 13 132.912 0.000 . 3 . . . A 37 TYR CD2 . 19606 1 404 . 1 1 37 37 TYR CE1 C 13 118.152 0.000 . 3 . . . A 37 TYR CE1 . 19606 1 405 . 1 1 37 37 TYR CE2 C 13 118.152 0.000 . 3 . . . A 37 TYR CE2 . 19606 1 406 . 1 1 37 37 TYR N N 15 129.191 0.000 . 1 . . . A 37 TYR N . 19606 1 407 . 1 1 38 38 ASN H H 1 7.249 0.000 . 1 . . . A 38 ASN H . 19606 1 408 . 1 1 38 38 ASN HA H 1 4.815 0.002 . 1 . . . A 38 ASN HA . 19606 1 409 . 1 1 38 38 ASN HB2 H 1 2.880 0.004 . 2 . . . A 38 ASN HB2 . 19606 1 410 . 1 1 38 38 ASN HB3 H 1 3.179 0.001 . 2 . . . A 38 ASN HB3 . 19606 1 411 . 1 1 38 38 ASN CA C 13 52.678 0.001 . 1 . . . A 38 ASN CA . 19606 1 412 . 1 1 38 38 ASN CB C 13 38.481 0.027 . 1 . . . A 38 ASN CB . 19606 1 413 . 1 1 38 38 ASN N N 15 116.482 0.000 . 1 . . . A 38 ASN N . 19606 1 414 . 1 1 39 39 ILE H H 1 8.568 0.000 . 1 . . . A 39 ILE H . 19606 1 415 . 1 1 39 39 ILE HA H 1 3.775 0.000 . 1 . . . A 39 ILE HA . 19606 1 416 . 1 1 39 39 ILE HB H 1 1.924 0.002 . 1 . . . A 39 ILE HB . 19606 1 417 . 1 1 39 39 ILE HG12 H 1 1.442 0.001 . 1 . . . A 39 ILE HG12 . 19606 1 418 . 1 1 39 39 ILE HG13 H 1 1.442 0.001 . 1 . . . A 39 ILE HG13 . 19606 1 419 . 1 1 39 39 ILE HG21 H 1 0.982 0.000 . 1 . . . A 39 ILE HG21 . 19606 1 420 . 1 1 39 39 ILE HG22 H 1 0.982 0.000 . 1 . . . A 39 ILE HG22 . 19606 1 421 . 1 1 39 39 ILE HG23 H 1 0.982 0.000 . 1 . . . A 39 ILE HG23 . 19606 1 422 . 1 1 39 39 ILE HD11 H 1 0.941 0.000 . 1 . . . A 39 ILE HD11 . 19606 1 423 . 1 1 39 39 ILE HD12 H 1 0.941 0.000 . 1 . . . A 39 ILE HD12 . 19606 1 424 . 1 1 39 39 ILE HD13 H 1 0.941 0.000 . 1 . . . A 39 ILE HD13 . 19606 1 425 . 1 1 39 39 ILE CA C 13 63.012 0.007 . 1 . . . A 39 ILE CA . 19606 1 426 . 1 1 39 39 ILE CB C 13 38.437 0.006 . 1 . . . A 39 ILE CB . 19606 1 427 . 1 1 39 39 ILE CG1 C 13 29.286 0.007 . 1 . . . A 39 ILE CG1 . 19606 1 428 . 1 1 39 39 ILE CG2 C 13 17.741 0.000 . 1 . . . A 39 ILE CG2 . 19606 1 429 . 1 1 39 39 ILE CD1 C 13 13.866 0.000 . 1 . . . A 39 ILE CD1 . 19606 1 430 . 1 1 39 39 ILE N N 15 126.777 0.000 . 1 . . . A 39 ILE N . 19606 1 431 . 1 1 40 40 LEU H H 1 7.993 0.000 . 1 . . . A 40 LEU H . 19606 1 432 . 1 1 40 40 LEU HA H 1 4.018 0.000 . 1 . . . A 40 LEU HA . 19606 1 433 . 1 1 40 40 LEU HB2 H 1 1.646 0.000 . 2 . . . A 40 LEU HB2 . 19606 1 434 . 1 1 40 40 LEU HB3 H 1 1.739 0.001 . 2 . . . A 40 LEU HB3 . 19606 1 435 . 1 1 40 40 LEU HG H 1 1.556 0.001 . 1 . . . A 40 LEU HG . 19606 1 436 . 1 1 40 40 LEU HD11 H 1 0.813 0.024 . 2 . . . A 40 LEU HD11 . 19606 1 437 . 1 1 40 40 LEU HD12 H 1 0.813 0.024 . 2 . . . A 40 LEU HD12 . 19606 1 438 . 1 1 40 40 LEU HD13 H 1 0.813 0.024 . 2 . . . A 40 LEU HD13 . 19606 1 439 . 1 1 40 40 LEU HD21 H 1 0.848 0.000 . 2 . . . A 40 LEU HD21 . 19606 1 440 . 1 1 40 40 LEU HD22 H 1 0.848 0.000 . 2 . . . A 40 LEU HD22 . 19606 1 441 . 1 1 40 40 LEU HD23 H 1 0.848 0.000 . 2 . . . A 40 LEU HD23 . 19606 1 442 . 1 1 40 40 LEU CA C 13 58.200 0.000 . 1 . . . A 40 LEU CA . 19606 1 443 . 1 1 40 40 LEU CB C 13 40.699 0.017 . 1 . . . A 40 LEU CB . 19606 1 444 . 1 1 40 40 LEU CG C 13 27.320 0.022 . 1 . . . A 40 LEU CG . 19606 1 445 . 1 1 40 40 LEU CD1 C 13 24.098 0.094 . 2 . . . A 40 LEU CD1 . 19606 1 446 . 1 1 40 40 LEU CD2 C 13 24.251 0.000 . 2 . . . A 40 LEU CD2 . 19606 1 447 . 1 1 40 40 LEU N N 15 122.044 0.000 . 1 . . . A 40 LEU N . 19606 1 448 . 1 1 41 41 GLN H H 1 7.555 0.000 . 1 . . . A 41 GLN H . 19606 1 449 . 1 1 41 41 GLN HA H 1 3.756 0.000 . 1 . . . A 41 GLN HA . 19606 1 450 . 1 1 41 41 GLN HB2 H 1 1.779 0.000 . 2 . . . A 41 GLN HB2 . 19606 1 451 . 1 1 41 41 GLN HB3 H 1 1.425 0.000 . 2 . . . A 41 GLN HB3 . 19606 1 452 . 1 1 41 41 GLN HG2 H 1 2.246 0.005 . 1 . . . A 41 GLN HG2 . 19606 1 453 . 1 1 41 41 GLN HG3 H 1 2.246 0.005 . 1 . . . A 41 GLN HG3 . 19606 1 454 . 1 1 41 41 GLN CA C 13 58.318 0.002 . 1 . . . A 41 GLN CA . 19606 1 455 . 1 1 41 41 GLN CB C 13 28.104 0.017 . 1 . . . A 41 GLN CB . 19606 1 456 . 1 1 41 41 GLN CG C 13 33.874 0.007 . 1 . . . A 41 GLN CG . 19606 1 457 . 1 1 41 41 GLN N N 15 119.421 0.000 . 1 . . . A 41 GLN N . 19606 1 458 . 1 1 42 42 VAL H H 1 7.454 0.000 . 1 . . . A 42 VAL H . 19606 1 459 . 1 1 42 42 VAL HA H 1 3.192 0.000 . 1 . . . A 42 VAL HA . 19606 1 460 . 1 1 42 42 VAL HB H 1 2.165 0.003 . 1 . . . A 42 VAL HB . 19606 1 461 . 1 1 42 42 VAL HG11 H 1 0.890 0.000 . 2 . . . A 42 VAL HG11 . 19606 1 462 . 1 1 42 42 VAL HG12 H 1 0.890 0.000 . 2 . . . A 42 VAL HG12 . 19606 1 463 . 1 1 42 42 VAL HG13 H 1 0.890 0.000 . 2 . . . A 42 VAL HG13 . 19606 1 464 . 1 1 42 42 VAL HG21 H 1 0.793 0.000 . 2 . . . A 42 VAL HG21 . 19606 1 465 . 1 1 42 42 VAL HG22 H 1 0.793 0.000 . 2 . . . A 42 VAL HG22 . 19606 1 466 . 1 1 42 42 VAL HG23 H 1 0.793 0.000 . 2 . . . A 42 VAL HG23 . 19606 1 467 . 1 1 42 42 VAL CA C 13 67.354 0.005 . 1 . . . A 42 VAL CA . 19606 1 468 . 1 1 42 42 VAL CB C 13 31.545 0.007 . 1 . . . A 42 VAL CB . 19606 1 469 . 1 1 42 42 VAL CG1 C 13 23.755 0.001 . 2 . . . A 42 VAL CG1 . 19606 1 470 . 1 1 42 42 VAL CG2 C 13 21.766 0.008 . 2 . . . A 42 VAL CG2 . 19606 1 471 . 1 1 42 42 VAL N N 15 119.806 0.000 . 1 . . . A 42 VAL N . 19606 1 472 . 1 1 43 43 VAL H H 1 8.396 0.000 . 1 . . . A 43 VAL H . 19606 1 473 . 1 1 43 43 VAL HA H 1 3.140 0.001 . 1 . . . A 43 VAL HA . 19606 1 474 . 1 1 43 43 VAL HB H 1 2.021 0.002 . 1 . . . A 43 VAL HB . 19606 1 475 . 1 1 43 43 VAL HG11 H 1 0.974 0.002 . 2 . . . A 43 VAL HG11 . 19606 1 476 . 1 1 43 43 VAL HG12 H 1 0.974 0.002 . 2 . . . A 43 VAL HG12 . 19606 1 477 . 1 1 43 43 VAL HG13 H 1 0.974 0.002 . 2 . . . A 43 VAL HG13 . 19606 1 478 . 1 1 43 43 VAL HG21 H 1 0.928 0.000 . 2 . . . A 43 VAL HG21 . 19606 1 479 . 1 1 43 43 VAL HG22 H 1 0.928 0.000 . 2 . . . A 43 VAL HG22 . 19606 1 480 . 1 1 43 43 VAL HG23 H 1 0.928 0.000 . 2 . . . A 43 VAL HG23 . 19606 1 481 . 1 1 43 43 VAL CA C 13 66.968 0.008 . 1 . . . A 43 VAL CA . 19606 1 482 . 1 1 43 43 VAL CB C 13 31.767 0.005 . 1 . . . A 43 VAL CB . 19606 1 483 . 1 1 43 43 VAL CG1 C 13 24.057 0.003 . 2 . . . A 43 VAL CG1 . 19606 1 484 . 1 1 43 43 VAL CG2 C 13 21.593 0.006 . 2 . . . A 43 VAL CG2 . 19606 1 485 . 1 1 43 43 VAL N N 15 118.511 0.000 . 1 . . . A 43 VAL N . 19606 1 486 . 1 1 44 44 THR H H 1 7.767 0.000 . 1 . . . A 44 THR H . 19606 1 487 . 1 1 44 44 THR HA H 1 3.673 0.000 . 1 . . . A 44 THR HA . 19606 1 488 . 1 1 44 44 THR HB H 1 4.119 0.001 . 1 . . . A 44 THR HB . 19606 1 489 . 1 1 44 44 THR HG21 H 1 1.132 0.000 . 1 . . . A 44 THR HG1 . 19606 1 490 . 1 1 44 44 THR HG22 H 1 1.132 0.000 . 1 . . . A 44 THR HG1 . 19606 1 491 . 1 1 44 44 THR HG23 H 1 1.132 0.000 . 1 . . . A 44 THR HG1 . 19606 1 492 . 1 1 44 44 THR CA C 13 67.784 0.009 . 1 . . . A 44 THR CA . 19606 1 493 . 1 1 44 44 THR CB C 13 68.711 0.001 . 1 . . . A 44 THR CB . 19606 1 494 . 1 1 44 44 THR CG2 C 13 20.956 0.004 . 1 . . . A 44 THR CG2 . 19606 1 495 . 1 1 44 44 THR N N 15 114.155 0.000 . 1 . . . A 44 THR N . 19606 1 496 . 1 1 45 45 GLU H H 1 7.326 0.000 . 1 . . . A 45 GLU H . 19606 1 497 . 1 1 45 45 GLU HA H 1 4.042 0.000 . 1 . . . A 45 GLU HA . 19606 1 498 . 1 1 45 45 GLU HB2 H 1 2.119 0.001 . 2 . . . A 45 GLU HB2 . 19606 1 499 . 1 1 45 45 GLU HB3 H 1 1.951 0.009 . 2 . . . A 45 GLU HB3 . 19606 1 500 . 1 1 45 45 GLU HG2 H 1 2.365 0.001 . 1 . . . A 45 GLU HG2 . 19606 1 501 . 1 1 45 45 GLU HG3 H 1 2.365 0.001 . 1 . . . A 45 GLU HG3 . 19606 1 502 . 1 1 45 45 GLU CA C 13 60.235 0.001 . 1 . . . A 45 GLU CA . 19606 1 503 . 1 1 45 45 GLU CB C 13 28.602 0.026 . 1 . . . A 45 GLU CB . 19606 1 504 . 1 1 45 45 GLU CG C 13 36.395 0.010 . 1 . . . A 45 GLU CG . 19606 1 505 . 1 1 45 45 GLU N N 15 121.134 0.000 . 1 . . . A 45 GLU N . 19606 1 506 . 1 1 46 46 LEU H H 1 8.362 0.000 . 1 . . . A 46 LEU H . 19606 1 507 . 1 1 46 46 LEU HA H 1 3.750 0.005 . 1 . . . A 46 LEU HA . 19606 1 508 . 1 1 46 46 LEU HB2 H 1 1.244 0.000 . 2 . . . A 46 LEU HB2 . 19606 1 509 . 1 1 46 46 LEU HB3 H 1 0.561 0.004 . 2 . . . A 46 LEU HB3 . 19606 1 510 . 1 1 46 46 LEU HG H 1 1.338 0.001 . 1 . . . A 46 LEU HG . 19606 1 511 . 1 1 46 46 LEU HD11 H 1 0.715 0.000 . 2 . . . A 46 LEU HD11 . 19606 1 512 . 1 1 46 46 LEU HD12 H 1 0.715 0.000 . 2 . . . A 46 LEU HD12 . 19606 1 513 . 1 1 46 46 LEU HD13 H 1 0.715 0.000 . 2 . . . A 46 LEU HD13 . 19606 1 514 . 1 1 46 46 LEU HD21 H 1 0.140 0.000 . 2 . . . A 46 LEU HD21 . 19606 1 515 . 1 1 46 46 LEU HD22 H 1 0.140 0.000 . 2 . . . A 46 LEU HD22 . 19606 1 516 . 1 1 46 46 LEU HD23 H 1 0.140 0.000 . 2 . . . A 46 LEU HD23 . 19606 1 517 . 1 1 46 46 LEU CA C 13 58.307 0.008 . 1 . . . A 46 LEU CA . 19606 1 518 . 1 1 46 46 LEU CB C 13 41.516 0.011 . 1 . . . A 46 LEU CB . 19606 1 519 . 1 1 46 46 LEU CG C 13 26.568 0.015 . 1 . . . A 46 LEU CG . 19606 1 520 . 1 1 46 46 LEU CD1 C 13 23.443 0.019 . 2 . . . A 46 LEU CD1 . 19606 1 521 . 1 1 46 46 LEU CD2 C 13 26.170 0.006 . 2 . . . A 46 LEU CD2 . 19606 1 522 . 1 1 46 46 LEU N N 15 120.965 0.000 . 1 . . . A 46 LEU N . 19606 1 523 . 1 1 47 47 LEU H H 1 8.200 0.000 . 1 . . . A 47 LEU H . 19606 1 524 . 1 1 47 47 LEU HA H 1 4.184 0.000 . 1 . . . A 47 LEU HA . 19606 1 525 . 1 1 47 47 LEU HB2 H 1 1.496 0.001 . 2 . . . A 47 LEU HB2 . 19606 1 526 . 1 1 47 47 LEU HB3 H 1 1.909 0.002 . 2 . . . A 47 LEU HB3 . 19606 1 527 . 1 1 47 47 LEU HD11 H 1 1.016 0.000 . 1 . . . A 47 LEU HD11 . 19606 1 528 . 1 1 47 47 LEU HD12 H 1 1.016 0.000 . 1 . . . A 47 LEU HD12 . 19606 1 529 . 1 1 47 47 LEU HD13 H 1 1.016 0.000 . 1 . . . A 47 LEU HD13 . 19606 1 530 . 1 1 47 47 LEU CA C 13 57.227 0.022 . 1 . . . A 47 LEU CA . 19606 1 531 . 1 1 47 47 LEU CB C 13 42.117 0.019 . 1 . . . A 47 LEU CB . 19606 1 532 . 1 1 47 47 LEU CD1 C 13 23.091 0.001 . 2 . . . A 47 LEU CD1 . 19606 1 533 . 1 1 47 47 LEU CD2 C 13 26.416 0.007 . 2 . . . A 47 LEU CD2 . 19606 1 534 . 1 1 47 47 LEU N N 15 118.138 0.000 . 1 . . . A 47 LEU N . 19606 1 535 . 1 1 48 48 GLN H H 1 7.643 0.000 . 1 . . . A 48 GLN H . 19606 1 536 . 1 1 48 48 GLN HA H 1 4.196 0.000 . 1 . . . A 48 GLN HA . 19606 1 537 . 1 1 48 48 GLN HB2 H 1 2.222 0.007 . 1 . . . A 48 GLN HB2 . 19606 1 538 . 1 1 48 48 GLN HB3 H 1 2.222 0.007 . 1 . . . A 48 GLN HB3 . 19606 1 539 . 1 1 48 48 GLN HG2 H 1 2.564 0.000 . 2 . . . A 48 GLN HG2 . 19606 1 540 . 1 1 48 48 GLN HG3 H 1 2.405 0.002 . 2 . . . A 48 GLN HG3 . 19606 1 541 . 1 1 48 48 GLN CA C 13 57.521 0.024 . 1 . . . A 48 GLN CA . 19606 1 542 . 1 1 48 48 GLN CB C 13 28.501 0.012 . 1 . . . A 48 GLN CB . 19606 1 543 . 1 1 48 48 GLN CG C 13 34.045 0.020 . 1 . . . A 48 GLN CG . 19606 1 544 . 1 1 48 48 GLN N N 15 118.147 0.000 . 1 . . . A 48 GLN N . 19606 1 545 . 1 1 49 49 LEU H H 1 7.966 0.000 . 1 . . . A 49 LEU H . 19606 1 546 . 1 1 49 49 LEU HA H 1 4.226 0.001 . 1 . . . A 49 LEU HA . 19606 1 547 . 1 1 49 49 LEU HB2 H 1 1.573 0.000 . 2 . . . A 49 LEU HB2 . 19606 1 548 . 1 1 49 49 LEU HB3 H 1 1.823 0.000 . 2 . . . A 49 LEU HB3 . 19606 1 549 . 1 1 49 49 LEU HG H 1 1.890 0.001 . 1 . . . A 49 LEU HG . 19606 1 550 . 1 1 49 49 LEU HD11 H 1 0.912 0.000 . 2 . . . A 49 LEU HD11 . 19606 1 551 . 1 1 49 49 LEU HD12 H 1 0.912 0.000 . 2 . . . A 49 LEU HD12 . 19606 1 552 . 1 1 49 49 LEU HD13 H 1 0.912 0.000 . 2 . . . A 49 LEU HD13 . 19606 1 553 . 1 1 49 49 LEU HD21 H 1 0.953 0.000 . 2 . . . A 49 LEU HD21 . 19606 1 554 . 1 1 49 49 LEU HD22 H 1 0.953 0.000 . 2 . . . A 49 LEU HD22 . 19606 1 555 . 1 1 49 49 LEU HD23 H 1 0.953 0.000 . 2 . . . A 49 LEU HD23 . 19606 1 556 . 1 1 49 49 LEU CA C 13 56.336 0.000 . 1 . . . A 49 LEU CA . 19606 1 557 . 1 1 49 49 LEU CB C 13 42.333 0.015 . 1 . . . A 49 LEU CB . 19606 1 558 . 1 1 49 49 LEU CG C 13 26.658 0.012 . 1 . . . A 49 LEU CG . 19606 1 559 . 1 1 49 49 LEU CD1 C 13 22.960 0.016 . 2 . . . A 49 LEU CD1 . 19606 1 560 . 1 1 49 49 LEU CD2 C 13 26.009 0.022 . 2 . . . A 49 LEU CD2 . 19606 1 561 . 1 1 49 49 LEU N N 15 119.709 0.000 . 1 . . . A 49 LEU N . 19606 1 562 . 1 1 50 50 ASN H H 1 7.930 0.000 . 1 . . . A 50 ASN H . 19606 1 563 . 1 1 50 50 ASN HA H 1 4.731 0.000 . 1 . . . A 50 ASN HA . 19606 1 564 . 1 1 50 50 ASN HB2 H 1 2.935 0.005 . 2 . . . A 50 ASN HB2 . 19606 1 565 . 1 1 50 50 ASN HB3 H 1 2.830 0.001 . 2 . . . A 50 ASN HB3 . 19606 1 566 . 1 1 50 50 ASN CA C 13 53.671 0.002 . 1 . . . A 50 ASN CA . 19606 1 567 . 1 1 50 50 ASN CB C 13 39.191 0.009 . 1 . . . A 50 ASN CB . 19606 1 568 . 1 1 50 50 ASN N N 15 117.058 0.000 . 1 . . . A 50 ASN N . 19606 1 569 . 1 1 51 51 ASN H H 1 8.114 0.000 . 1 . . . A 51 ASN H . 19606 1 570 . 1 1 51 51 ASN HA H 1 4.806 0.001 . 1 . . . A 51 ASN HA . 19606 1 571 . 1 1 51 51 ASN HB2 H 1 2.915 0.000 . 2 . . . A 51 ASN HB2 . 19606 1 572 . 1 1 51 51 ASN HB3 H 1 2.772 0.000 . 2 . . . A 51 ASN HB3 . 19606 1 573 . 1 1 51 51 ASN CA C 13 53.435 0.012 . 1 . . . A 51 ASN CA . 19606 1 574 . 1 1 51 51 ASN CB C 13 39.175 0.008 . 1 . . . A 51 ASN CB . 19606 1 575 . 1 1 51 51 ASN N N 15 119.097 0.000 . 1 . . . A 51 ASN N . 19606 1 576 . 1 1 52 52 ASN H H 1 7.948 0.000 . 1 . . . A 52 ASN H . 19606 1 577 . 1 1 52 52 ASN HA H 1 4.497 0.000 . 1 . . . A 52 ASN HA . 19606 1 578 . 1 1 52 52 ASN HB2 H 1 2.691 0.001 . 1 . . . A 52 ASN HB2 . 19606 1 579 . 1 1 52 52 ASN HB3 H 1 2.691 0.001 . 1 . . . A 52 ASN HB3 . 19606 1 580 . 1 1 52 52 ASN CA C 13 55.020 0.013 . 1 . . . A 52 ASN CA . 19606 1 581 . 1 1 52 52 ASN CB C 13 40.655 0.002 . 1 . . . A 52 ASN CB . 19606 1 582 . 1 1 52 52 ASN N N 15 124.324 0.000 . 1 . . . A 52 ASN N . 19606 1 stop_ save_