data_15874 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15874 _Entry.Title ; Solution Structure of Human Supervillin Headpiece, Minimized Average ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-11 _Entry.Accession_date 2008-07-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Jeffrey Brown . W. . 15874 2 Vardar-Ulu Didem . . . 15874 3 'C. James' McKnight . . . 15874 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' . 15874 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Boston University School of Medicine' . 15874 1 . 'McKnight Group' . 15874 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Archvillin . 15874 Headpiece . 15874 HP . 15874 NMR . 15874 Supervillin . 15874 SVHP . 15874 Villin . 15874 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15874 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 15874 '15N chemical shifts' 60 15874 '1H chemical shifts' 434 15874 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 . . 2009-11-11 2008-07-11 update BMRB 'complete entry citation' 15874 1 . . 2009-09-03 2008-07-11 original author 'original release' 15874 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1QQV 'Solution Structure of the Headpiece Domain of Chicken Villin' 15874 PDB 1QZP 'NMR Structure of the Human Dematin Headpiece Domain' 15874 PDB 1UJS 'Solution Structure of the Villin Headpiece Domain of Human Actin-Binding LIM protein homolog' 15874 PDB 1UNC 'Solution Structure of the Human Villin C-Terminal Headpiece Subdomain' 15874 PDB 1UND 'Solution Structure of the Human Advillin C-Terminal Subdomain' 15874 PDB 1VII 'Thermostable Subdomain from Chicken Villin Headpiece, NMR, Minimized Average Structure' 15874 PDB 1WY3 'Chicken Villin Subdomain HP-35, K65(NLE), N68H, pH 7.0' 15874 PDB 1WY4 'Chicken Villin Subdomain HP-35, K65(NLE), N68H, pH 5.1' 15874 PDB 1YRF 'Chicken Villin Subdomain HP-35, N68H, pH 6.7' 15874 PDB 1YRI 'Chicken Villin Subdomain HP-35, N68H, pH 6.4' 15874 PDB 1YU5 'Crystal Structure of the Headpiece Domain of Chicken Villin' 15874 PDB 1YU7 'Crystal Structure of the W64A Mutant of Villin Headpiece' 15874 PDB 1YU8 'Crystal Structure of the R37A Mutant of Villin Headpiece' 15874 PDB 1ZV6 'NMR Structure of the human Dematin Headpiece S74E Mutant' 15874 PDB 2JM0 'Solution Structure of Chicken Villin Headpiece Subdomain Containing a Fluorinated Sidechain in the Core' 15874 PDB 2K6N 'BMRB Entry Tracking System' 15874 PDB 2PPZ 'NMR Solution Structure of the Villin Headpiece Mutant G34L' 15874 stop_ save_ ############### # Citations # ############### save_Solution_Structure_of_Supervillin_Headpiece _Citation.Sf_category citations _Citation.Sf_framecode Solution_Structure_of_Supervillin_Headpiece _Citation.Entry_ID 15874 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19683541 _Citation.Full_citation . _Citation.Title 'How to arm a supervillin: designing F-actin binding activity into supervillin headpiece.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 393 _Citation.Journal_issue 3 _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 608 _Citation.Page_last 618 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Brown . W. . 15874 1 2 Didem Vardar-Ulu . . . 15874 1 3 'C. James' McKnight . . . 15874 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15874 _Assembly.ID 1 _Assembly.Name 'Supervillin Headpiece' _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 'Supervillin Headpiece' 1 $Supervillin_Headpiece A . yes native no no . . . 15874 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Supervillin_Headpiece _Entity.Sf_category entity _Entity.Sf_framecode Supervillin_Headpiece _Entity.Entry_ID 15874 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Supervillin_Headpiece _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 ; MLAKLCKTIYPLADLLARPL PEGVDPLKLEIYLTDEDFEF ALDMTRDEYNALPAWKQVNL KKAKGLF ; _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 67 _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 7708.110 _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 BMRB 15873 . Supervillin_Headpiece . . . . . 100.00 67 100.00 100.00 5.55e-39 . . . . 15874 1 2 no PDB 2K6M . "Solution Structure Of Human Supervillin Headpiece" . . . . . 100.00 67 100.00 100.00 5.55e-39 . . . . 15874 1 3 no PDB 2K6N . "Solution Structure Of Human Supervillin Headpiece, Minimized Average" . . . . . 100.00 67 100.00 100.00 5.55e-39 . . . . 15874 1 4 no DBJ BAG65483 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1128 98.51 100.00 1.92e-36 . . . . 15874 1 5 no DBJ BAG65549 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1033 98.51 100.00 2.06e-36 . . . . 15874 1 6 no EMBL CAH56147 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 168 97.01 98.51 1.01e-36 . . . . 15874 1 7 no GB AAC48783 . "supervillin [Bos taurus]" . . . . . 100.00 1792 98.51 100.00 4.92e-36 . . . . 15874 1 8 no GB AAC64695 . "supervillin [Homo sapiens]" . . . . . 100.00 1788 98.51 100.00 2.70e-36 . . . . 15874 1 9 no GB AAC64696 . "supervillin [Homo sapiens]" . . . . . 100.00 1788 98.51 100.00 2.52e-36 . . . . 15874 1 10 no GB AAD14682 . "archvillin [Homo sapiens]" . . . . . 100.00 2214 98.51 100.00 3.23e-36 . . . . 15874 1 11 no GB AAH92440 . "SVIL protein [Homo sapiens]" . . . . . 100.00 81 98.51 100.00 1.06e-38 . . . . 15874 1 12 no REF NP_003165 . "supervillin isoform 1 [Homo sapiens]" . . . . . 100.00 1788 98.51 100.00 2.72e-36 . . . . 15874 1 13 no REF NP_068506 . "supervillin isoform 2 [Homo sapiens]" . . . . . 100.00 2214 98.51 100.00 3.67e-36 . . . . 15874 1 14 no REF NP_776615 . "supervillin [Bos taurus]" . . . . . 100.00 1792 98.51 100.00 4.92e-36 . . . . 15874 1 15 no REF XP_001083894 . "PREDICTED: supervillin [Macaca mulatta]" . . . . . 100.00 2299 97.01 98.51 2.64e-35 . . . . 15874 1 16 no REF XP_001136112 . "PREDICTED: supervillin isoform X9 [Pan troglodytes]" . . . . . 100.00 2214 98.51 100.00 4.99e-36 . . . . 15874 1 17 no SP O46385 . "RecName: Full=Supervillin; AltName: Full=Archvillin; AltName: Full=p205/p250" . . . . . 100.00 2194 98.51 100.00 5.22e-36 . . . . 15874 1 18 no SP O95425 . "RecName: Full=Supervillin; AltName: Full=Archvillin; AltName: Full=p205/p250" . . . . . 100.00 2214 98.51 100.00 3.67e-36 . . . . 15874 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 . MET . 15874 1 2 . LEU . 15874 1 3 . ALA . 15874 1 4 . LYS . 15874 1 5 . LEU . 15874 1 6 . CYS . 15874 1 7 . LYS . 15874 1 8 . THR . 15874 1 9 . ILE . 15874 1 10 . TYR . 15874 1 11 . PRO . 15874 1 12 . LEU . 15874 1 13 . ALA . 15874 1 14 . ASP . 15874 1 15 . LEU . 15874 1 16 . LEU . 15874 1 17 . ALA . 15874 1 18 . ARG . 15874 1 19 . PRO . 15874 1 20 . LEU . 15874 1 21 . PRO . 15874 1 22 . GLU . 15874 1 23 . GLY . 15874 1 24 . VAL . 15874 1 25 . ASP . 15874 1 26 . PRO . 15874 1 27 . LEU . 15874 1 28 . LYS . 15874 1 29 . LEU . 15874 1 30 . GLU . 15874 1 31 . ILE . 15874 1 32 . TYR . 15874 1 33 . LEU . 15874 1 34 . THR . 15874 1 35 . ASP . 15874 1 36 . GLU . 15874 1 37 . ASP . 15874 1 38 . PHE . 15874 1 39 . GLU . 15874 1 40 . PHE . 15874 1 41 . ALA . 15874 1 42 . LEU . 15874 1 43 . ASP . 15874 1 44 . MET . 15874 1 45 . THR . 15874 1 46 . ARG . 15874 1 47 . ASP . 15874 1 48 . GLU . 15874 1 49 . TYR . 15874 1 50 . ASN . 15874 1 51 . ALA . 15874 1 52 . LEU . 15874 1 53 . PRO . 15874 1 54 . ALA . 15874 1 55 . TRP . 15874 1 56 . LYS . 15874 1 57 . GLN . 15874 1 58 . VAL . 15874 1 59 . ASN . 15874 1 60 . LEU . 15874 1 61 . LYS . 15874 1 62 . LYS . 15874 1 63 . ALA . 15874 1 64 . LYS . 15874 1 65 . GLY . 15874 1 66 . LEU . 15874 1 67 . PHE . 15874 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 . MET 1 1 15874 1 . LEU 2 2 15874 1 . ALA 3 3 15874 1 . LYS 4 4 15874 1 . LEU 5 5 15874 1 . CYS 6 6 15874 1 . LYS 7 7 15874 1 . THR 8 8 15874 1 . ILE 9 9 15874 1 . TYR 10 10 15874 1 . PRO 11 11 15874 1 . LEU 12 12 15874 1 . ALA 13 13 15874 1 . ASP 14 14 15874 1 . LEU 15 15 15874 1 . LEU 16 16 15874 1 . ALA 17 17 15874 1 . ARG 18 18 15874 1 . PRO 19 19 15874 1 . LEU 20 20 15874 1 . PRO 21 21 15874 1 . GLU 22 22 15874 1 . GLY 23 23 15874 1 . VAL 24 24 15874 1 . ASP 25 25 15874 1 . PRO 26 26 15874 1 . LEU 27 27 15874 1 . LYS 28 28 15874 1 . LEU 29 29 15874 1 . GLU 30 30 15874 1 . ILE 31 31 15874 1 . TYR 32 32 15874 1 . LEU 33 33 15874 1 . THR 34 34 15874 1 . ASP 35 35 15874 1 . GLU 36 36 15874 1 . ASP 37 37 15874 1 . PHE 38 38 15874 1 . GLU 39 39 15874 1 . PHE 40 40 15874 1 . ALA 41 41 15874 1 . LEU 42 42 15874 1 . ASP 43 43 15874 1 . MET 44 44 15874 1 . THR 45 45 15874 1 . ARG 46 46 15874 1 . ASP 47 47 15874 1 . GLU 48 48 15874 1 . TYR 49 49 15874 1 . ASN 50 50 15874 1 . ALA 51 51 15874 1 . LEU 52 52 15874 1 . PRO 53 53 15874 1 . ALA 54 54 15874 1 . TRP 55 55 15874 1 . LYS 56 56 15874 1 . GLN 57 57 15874 1 . VAL 58 58 15874 1 . ASN 59 59 15874 1 . LEU 60 60 15874 1 . LYS 61 61 15874 1 . LYS 62 62 15874 1 . ALA 63 63 15874 1 . LYS 64 64 15874 1 . GLY 65 65 15874 1 . LEU 66 66 15874 1 . PHE 67 67 15874 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 15874 _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 $Supervillin_Headpiece . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15874 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 15874 _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 $Supervillin_Headpiece . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pSVHP(pET24A) . . . . . . 15874 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 15874 _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 'Supervillin Headpiece' '[U-13C; U-15N]' . . 1 $Supervillin_Headpiece . . 1.3-2.5 . . mM . . . . 15874 1 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15874 1 3 TMSP 'natural abundance' . . . . . . 500 . . uM . . . . 15874 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15874 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15874 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 15874 _Sample.ID 2 _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 'Supervillin Headpiece' [U-15N] . . 1 $Supervillin_Headpiece . . 1.3-2.5 . . mM . . . . 15874 2 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15874 2 3 TMSP 'natural abundance' . . . . . . 500 . . uM . . . . 15874 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15874 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15874 2 stop_ save_ save_10%13C _Sample.Sf_category sample _Sample.Sf_framecode 10%13C _Sample.Entry_ID 15874 _Sample.ID 3 _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 'Supervillin Headpiece' '[U-10% 13C]' . . 1 $Supervillin_Headpiece . . 1.3-2.5 . . mM . . . . 15874 3 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15874 3 3 TMSP 'natural abundance' . . . . . . 500 . . uM . . . . 15874 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15874 3 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15874 3 stop_ save_ save_13C _Sample.Sf_category sample _Sample.Sf_framecode 13C _Sample.Entry_ID 15874 _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 'Supervillin Headpiece' [U-13C] . . 1 $Supervillin_Headpiece . . 1.3-2.5 . . mM . . . . 15874 4 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15874 4 3 TMSP 'natural abundance' . . . . . . 500 . . uM . . . . 15874 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15874 4 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15874 4 stop_ save_ save_Unlabeled _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled _Sample.Entry_ID 15874 _Sample.ID 5 _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 'Supervillin Headpiece' 'natural abundance' . . 1 $Supervillin_Headpiece . . 1.3-2.5 . . mM . . . . 15874 5 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15874 5 3 TMSP 'natural abundance' . . . . . . 500 . . uM . . . . 15874 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15874 5 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15874 5 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 15874 _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 15874 1 pressure 1 . atm 15874 1 temperature 293 . K 15874 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15874 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15874 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15874 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15874 _Software.ID 2 _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' . . 15874 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15874 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15874 _Software.ID 3 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15874 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structural Alignment' 15874 3 'Structural Visualization' 15874 3 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15874 _Software.ID 4 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15874 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15874 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15874 _Software.ID 5 _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' . . 15874 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15874 5 stop_ save_ save_PREDITOR _Software.Sf_category software _Software.Sf_framecode PREDITOR _Software.Entry_ID 15874 _Software.ID 6 _Software.Name PREDITOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PREDITOR) M. V. Berjanskii, S. Neal, D. S. Wishart' . . 15874 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15874 6 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15874 _Software.ID 7 _Software.Name NMRView _Software.Version 7.0.16 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15874 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15874 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BUSM_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BUSM_Spectrometer _NMR_spectrometer.Entry_ID 15874 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15874 _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 'BUSM Spectrometer' Bruker DMX . 500 . . . 15874 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 15874 _Experiment_list.ID 1 _Experiment_list.Details 'Distance restraints were determined from a NOESY Buildup Series - Mixing Times of 50, 75, 100, 125, 150 - 13C and 15N NOE Assignments were bined as weak' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $13C isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $Unlabeled isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 5 $Unlabeled isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 5 '3D HNCO' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 6 '3D HNCA' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $13C isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 10 '3D HCCH-COSY' no . . . . . . . . . . 4 $13C isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 11 '3D HNHA' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 12 '3D HNHB' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $Unlabeled isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $13C isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $10%13C isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 1 17 '3D HMQC-J' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $BUSM_Spectrometer . . . . . . . . . . . . . . . . 15874 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 15874 _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 TMSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 15874 1 H 1 TMSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15874 1 N 15 TMSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15874 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 15874 _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' . . . 15874 1 2 '2D 1H-13C HSQC' . . . 15874 1 13 '2D 1H-1H NOESY' . . . 15874 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 CYS HA H 1 4.540 . . 1 . . . . 15 C HA . 15874 1 2 . 1 1 6 6 CYS HB2 H 1 3.000 . . 2 . . . . 15 C HB1 . 15874 1 3 . 1 1 6 6 CYS HB3 H 1 2.933 . . 2 . . . . 15 C HB2 . 15874 1 4 . 1 1 6 6 CYS CB C 13 28.556 . . 1 . . . . 15 C CB . 15874 1 5 . 1 1 7 7 LYS HA H 1 4.376 . . 1 . . . . 16 K HA . 15874 1 6 . 1 1 7 7 LYS HB2 H 1 1.780 . . 2 . . . . 16 K HB1 . 15874 1 7 . 1 1 7 7 LYS HB3 H 1 1.550 . . 2 . . . . 16 K HB2 . 15874 1 8 . 1 1 7 7 LYS CA C 13 37.775 . . 1 . . . . 16 K CA . 15874 1 9 . 1 1 7 7 LYS CB C 13 33.150 . . 1 . . . . 16 K CB . 15874 1 10 . 1 1 8 8 THR H H 1 8.305 . . 1 . . . . 17 T HN . 15874 1 11 . 1 1 8 8 THR HA H 1 4.320 . . 1 . . . . 17 T HA . 15874 1 12 . 1 1 8 8 THR HB H 1 4.200 . . 1 . . . . 17 T HB . 15874 1 13 . 1 1 8 8 THR HG21 H 1 1.194 . . 1 . . . . 17 T HG21 . 15874 1 14 . 1 1 8 8 THR HG22 H 1 1.194 . . 1 . . . . 17 T HG21 . 15874 1 15 . 1 1 8 8 THR HG23 H 1 1.194 . . 1 . . . . 17 T HG21 . 15874 1 16 . 1 1 8 8 THR CA C 13 44.017 . . 1 . . . . 17 T CA . 15874 1 17 . 1 1 8 8 THR CB C 13 31.886 . . 1 . . . . 17 T CB . 15874 1 18 . 1 1 8 8 THR CG2 C 13 41.296 . . 1 . . . . 17 T CG2 . 15874 1 19 . 1 1 8 8 THR N N 15 115.400 . . 1 . . . . 17 T N . 15874 1 20 . 1 1 9 9 ILE H H 1 7.450 . . 1 . . . . 18 I HN . 15874 1 21 . 1 1 9 9 ILE HA H 1 5.077 . . 1 . . . . 18 I HA . 15874 1 22 . 1 1 9 9 ILE HB H 1 1.680 . . 1 . . . . 18 I HB . 15874 1 23 . 1 1 9 9 ILE HD11 H 1 0.696 . . 1 . . . . 18 I HD11 . 15874 1 24 . 1 1 9 9 ILE HD12 H 1 0.696 . . 1 . . . . 18 I HD11 . 15874 1 25 . 1 1 9 9 ILE HD13 H 1 0.696 . . 1 . . . . 18 I HD11 . 15874 1 26 . 1 1 9 9 ILE HG12 H 1 1.345 . . 1 . . . . 18 I HG11 . 15874 1 27 . 1 1 9 9 ILE HG13 H 1 1.228 . . 1 . . . . 18 I HG12 . 15874 1 28 . 1 1 9 9 ILE HG21 H 1 0.853 . . 2 . . . . 18 I HG21 . 15874 1 29 . 1 1 9 9 ILE HG22 H 1 0.853 . . 2 . . . . 18 I HG21 . 15874 1 30 . 1 1 9 9 ILE HG23 H 1 0.853 . . 2 . . . . 18 I HG21 . 15874 1 31 . 1 1 9 9 ILE CA C 13 38.964 . . 1 . . . . 18 I CA . 15874 1 32 . 1 1 9 9 ILE CB C 13 40.553 . . 1 . . . . 18 I CB . 15874 1 33 . 1 1 9 9 ILE CD1 C 13 30.173 . . 1 . . . . 18 I CD1 . 15874 1 34 . 1 1 9 9 ILE CG1 C 13 45.585 . . 2 . . . . 18 I CG1 . 15874 1 35 . 1 1 9 9 ILE CG2 C 13 37.118 . . 1 . . . . 18 I CG2 . 15874 1 36 . 1 1 9 9 ILE N N 15 122.802 . . 1 . . . . 18 I N . 15874 1 37 . 1 1 10 10 TYR H H 1 9.151 . . 1 . . . . 19 Y HN . 15874 1 38 . 1 1 10 10 TYR HA H 1 4.927 . . 1 . . . . 19 Y HA . 15874 1 39 . 1 1 10 10 TYR HB2 H 1 2.924 . . 2 . . . . 19 Y HB1 . 15874 1 40 . 1 1 10 10 TYR HB3 H 1 2.391 . . 2 . . . . 19 Y HB2 . 15874 1 41 . 1 1 10 10 TYR HD1 H 1 7.031 . . 3 . . . . 19 Y HD1 . 15874 1 42 . 1 1 10 10 TYR HE1 H 1 6.529 . . 3 . . . . 19 Y HE1 . 15874 1 43 . 1 1 10 10 TYR CB C 13 41.335 . . 1 . . . . 19 Y CB . 15874 1 44 . 1 1 10 10 TYR N N 15 124.420 . . 1 . . . . 19 Y N . 15874 1 45 . 1 1 11 11 PRO HA H 1 4.496 . . 1 . . . . 20 P HA . 15874 1 46 . 1 1 11 11 PRO HB2 H 1 2.513 . . 2 . . . . 20 P HB1 . 15874 1 47 . 1 1 11 11 PRO HB3 H 1 1.956 . . 2 . . . . 20 P HB2 . 15874 1 48 . 1 1 11 11 PRO HD2 H 1 4.003 . . 2 . . . . 20 P HD1 . 15874 1 49 . 1 1 11 11 PRO HD3 H 1 3.930 . . 2 . . . . 20 P HD2 . 15874 1 50 . 1 1 11 11 PRO HG2 H 1 2.140 . . 2 . . . . 20 P HG1 . 15874 1 51 . 1 1 11 11 PRO HG3 H 1 1.910 . . 2 . . . . 20 P HG2 . 15874 1 52 . 1 1 11 11 PRO CA C 13 43.576 . . 1 . . . . 20 P CA . 15874 1 53 . 1 1 11 11 PRO CB C 13 32.801 . . 1 . . . . 20 P CB . 15874 1 54 . 1 1 11 11 PRO CD C 13 32.315 . . 1 . . . . 20 P CD . 15874 1 55 . 1 1 12 12 LEU H H 1 7.790 . . 1 . . . . 21 L HN . 15874 1 56 . 1 1 12 12 LEU HA H 1 3.896 . . 1 . . . . 21 L HA . 15874 1 57 . 1 1 12 12 LEU HB2 H 1 1.781 . . 2 . . . . 21 L HB1 . 15874 1 58 . 1 1 12 12 LEU HB3 H 1 1.397 . . 2 . . . . 21 L HB2 . 15874 1 59 . 1 1 12 12 LEU HD11 H 1 0.950 . . 2 . . . . 21 L HD11 . 15874 1 60 . 1 1 12 12 LEU HD12 H 1 0.950 . . 2 . . . . 21 L HD11 . 15874 1 61 . 1 1 12 12 LEU HD13 H 1 0.950 . . 2 . . . . 21 L HD11 . 15874 1 62 . 1 1 12 12 LEU HD21 H 1 1.150 . . 2 . . . . 21 L HD21 . 15874 1 63 . 1 1 12 12 LEU HD22 H 1 1.150 . . 2 . . . . 21 L HD21 . 15874 1 64 . 1 1 12 12 LEU HD23 H 1 1.150 . . 2 . . . . 21 L HD21 . 15874 1 65 . 1 1 12 12 LEU HG H 1 1.611 . . 1 . . . . 21 L HG . 15874 1 66 . 1 1 12 12 LEU CA C 13 39.620 . . 1 . . . . 21 L CA . 15874 1 67 . 1 1 12 12 LEU CB C 13 42.245 . . 1 . . . . 21 L CB . 15874 1 68 . 1 1 12 12 LEU CD1 C 13 42.753 . . 1 . . . . 21 L CD1 . 15874 1 69 . 1 1 12 12 LEU CD2 C 13 45.573 . . 1 . . . . 21 L CD2 . 15874 1 70 . 1 1 12 12 LEU CG C 13 46.638 . . 1 . . . . 21 L CG . 15874 1 71 . 1 1 12 12 LEU N N 15 123.727 . . 1 . . . . 21 L N . 15874 1 72 . 1 1 13 13 ALA H H 1 8.995 . . 1 . . . . 22 A HN . 15874 1 73 . 1 1 13 13 ALA HA H 1 3.943 . . 1 . . . . 22 A HA . 15874 1 74 . 1 1 13 13 ALA HB1 H 1 1.404 . . 1 . . . . 22 A HB1 . 15874 1 75 . 1 1 13 13 ALA HB2 H 1 1.404 . . 1 . . . . 22 A HB1 . 15874 1 76 . 1 1 13 13 ALA HB3 H 1 1.404 . . 1 . . . . 22 A HB1 . 15874 1 77 . 1 1 13 13 ALA CA C 13 36.717 . . 1 . . . . 22 A CA . 15874 1 78 . 1 1 13 13 ALA CB C 13 37.456 . . 1 . . . . 22 A CB . 15874 1 79 . 1 1 13 13 ALA N N 15 116.790 . . 1 . . . . 22 A N . 15874 1 80 . 1 1 14 14 ASP H H 1 7.393 . . 1 . . . . 23 D HN . 15874 1 81 . 1 1 14 14 ASP HA H 1 4.387 . . 1 . . . . 23 D HA . 15874 1 82 . 1 1 14 14 ASP HB2 H 1 2.498 . . 2 . . . . 23 D HB1 . 15874 1 83 . 1 1 14 14 ASP HB3 H 1 2.839 . . 2 . . . . 23 D HB2 . 15874 1 84 . 1 1 14 14 ASP CB C 13 40.902 . . 1 . . . . 23 D CB . 15874 1 85 . 1 1 14 14 ASP N N 15 115.403 . . 1 . . . . 23 D N . 15874 1 86 . 1 1 15 15 LEU H H 1 7.452 . . 1 . . . . 24 L HN . 15874 1 87 . 1 1 15 15 LEU HA H 1 4.281 . . 1 . . . . 24 L HA . 15874 1 88 . 1 1 15 15 LEU HB2 H 1 1.480 . . 2 . . . . 24 L HB1 . 15874 1 89 . 1 1 15 15 LEU HB3 H 1 1.699 . . 2 . . . . 24 L HB2 . 15874 1 90 . 1 1 15 15 LEU HD11 H 1 1.058 . . 2 . . . . 24 L HD11 . 15874 1 91 . 1 1 15 15 LEU HD12 H 1 1.058 . . 2 . . . . 24 L HD11 . 15874 1 92 . 1 1 15 15 LEU HD13 H 1 1.058 . . 2 . . . . 24 L HD11 . 15874 1 93 . 1 1 15 15 LEU HD21 H 1 0.424 . . 2 . . . . 24 L HD21 . 15874 1 94 . 1 1 15 15 LEU HD22 H 1 0.424 . . 2 . . . . 24 L HD21 . 15874 1 95 . 1 1 15 15 LEU HD23 H 1 0.424 . . 2 . . . . 24 L HD21 . 15874 1 96 . 1 1 15 15 LEU HG H 1 1.670 . . 1 . . . . 24 L HG . 15874 1 97 . 1 1 15 15 LEU CA C 13 35.761 . . 1 . . . . 24 L CA . 15874 1 98 . 1 1 15 15 LEU CB C 13 41.179 . . 1 . . . . 24 L CB . 15874 1 99 . 1 1 15 15 LEU CD1 C 13 46.382 . . 1 . . . . 24 L CD1 . 15874 1 100 . 1 1 15 15 LEU CD2 C 13 40.921 . . 1 . . . . 24 L CD2 . 15874 1 101 . 1 1 15 15 LEU N N 15 116.328 . . 1 . . . . 24 L N . 15874 1 102 . 1 1 16 16 LEU H H 1 7.396 . . 1 . . . . 25 L HN . 15874 1 103 . 1 1 16 16 LEU HA H 1 4.350 . . 1 . . . . 25 L HA . 15874 1 104 . 1 1 16 16 LEU HB2 H 1 1.582 . . 2 . . . . 25 L HB1 . 15874 1 105 . 1 1 16 16 LEU HD11 H 1 0.845 . . 2 . . . . 25 L HD11 . 15874 1 106 . 1 1 16 16 LEU HD12 H 1 0.845 . . 2 . . . . 25 L HD11 . 15874 1 107 . 1 1 16 16 LEU HD13 H 1 0.845 . . 2 . . . . 25 L HD11 . 15874 1 108 . 1 1 16 16 LEU HD21 H 1 0.889 . . 2 . . . . 25 L HD21 . 15874 1 109 . 1 1 16 16 LEU HD22 H 1 0.889 . . 2 . . . . 25 L HD21 . 15874 1 110 . 1 1 16 16 LEU HD23 H 1 0.889 . . 2 . . . . 25 L HD21 . 15874 1 111 . 1 1 16 16 LEU HG H 1 1.660 . . 1 . . . . 25 L HG . 15874 1 112 . 1 1 16 16 LEU CA C 13 36.365 . . 1 . . . . 25 L CA . 15874 1 113 . 1 1 16 16 LEU CB C 13 42.493 . . 1 . . . . 25 L CB . 15874 1 114 . 1 1 16 16 LEU CD1 C 13 41.534 . . 1 . . . . 25 L CD1 . 15874 1 115 . 1 1 16 16 LEU CD2 C 13 44.867 . . 1 . . . . 25 L CD2 . 15874 1 116 . 1 1 16 16 LEU N N 15 116.790 . . 1 . . . . 25 L N . 15874 1 117 . 1 1 17 17 ALA H H 1 6.894 . . 1 . . . . 26 A HN . 15874 1 118 . 1 1 17 17 ALA HA H 1 4.349 . . 1 . . . . 26 A HA . 15874 1 119 . 1 1 17 17 ALA HB1 H 1 1.429 . . 1 . . . . 26 A HB1 . 15874 1 120 . 1 1 17 17 ALA HB2 H 1 1.429 . . 1 . . . . 26 A HB1 . 15874 1 121 . 1 1 17 17 ALA HB3 H 1 1.429 . . 1 . . . . 26 A HB1 . 15874 1 122 . 1 1 17 17 ALA CB C 13 39.296 . . 1 . . . . 26 A CB . 15874 1 123 . 1 1 17 17 ALA N N 15 122.802 . . 1 . . . . 26 A N . 15874 1 124 . 1 1 18 18 ARG H H 1 8.019 . . 1 . . . . 27 R HN . 15874 1 125 . 1 1 18 18 ARG HA H 1 4.429 . . 1 . . . . 27 R HA . 15874 1 126 . 1 1 18 18 ARG HB2 H 1 1.674 . . 2 . . . . 27 R HB1 . 15874 1 127 . 1 1 18 18 ARG HB3 H 1 1.600 . . 2 . . . . 27 R HB2 . 15874 1 128 . 1 1 18 18 ARG HD2 H 1 3.340 . . 2 . . . . 27 R HD1 . 15874 1 129 . 1 1 18 18 ARG HD3 H 1 3.107 . . 2 . . . . 27 R HD2 . 15874 1 130 . 1 1 18 18 ARG HG2 H 1 1.680 . . 2 . . . . 27 R HG1 . 15874 1 131 . 1 1 18 18 ARG HG3 H 1 1.445 . . 2 . . . . 27 R HG2 . 15874 1 132 . 1 1 18 18 ARG CA C 13 32.436 . . 1 . . . . 27 R CA . 15874 1 133 . 1 1 18 18 ARG CB C 13 31.405 . . 1 . . . . 27 R CB . 15874 1 134 . 1 1 18 18 ARG CD C 13 42.820 . . 1 . . . . 27 R CD . 15874 1 135 . 1 1 18 18 ARG CG C 13 45.247 . . 1 . . . . 27 R CG . 15874 1 136 . 1 1 18 18 ARG N N 15 116.328 . . 1 . . . . 27 R N . 15874 1 137 . 1 1 19 19 PRO HA H 1 4.483 . . 1 . . . . 28 P HA . 15874 1 138 . 1 1 19 19 PRO HB2 H 1 2.445 . . 2 . . . . 28 P HB1 . 15874 1 139 . 1 1 19 19 PRO HB3 H 1 2.116 . . 2 . . . . 28 P HB2 . 15874 1 140 . 1 1 19 19 PRO HD2 H 1 3.584 . . 2 . . . . 28 P HD1 . 15874 1 141 . 1 1 19 19 PRO HD3 H 1 3.485 . . 2 . . . . 28 P HD2 . 15874 1 142 . 1 1 19 19 PRO HG2 H 1 1.897 . . 2 . . . . 28 P HG1 . 15874 1 143 . 1 1 19 19 PRO HG3 H 1 1.853 . . 2 . . . . 28 P HG2 . 15874 1 144 . 1 1 19 19 PRO CA C 13 43.719 . . 1 . . . . 28 P CA . 15874 1 145 . 1 1 19 19 PRO CB C 13 35.007 . . 1 . . . . 28 P CB . 15874 1 146 . 1 1 19 19 PRO CD C 13 31.561 . . 1 . . . . 28 P CD . 15874 1 147 . 1 1 19 19 PRO CG C 13 44.240 . . 1 . . . . 28 P CG . 15874 1 148 . 1 1 20 20 LEU H H 1 8.634 . . 1 . . . . 29 L HN . 15874 1 149 . 1 1 20 20 LEU HA H 1 4.286 . . 1 . . . . 29 L HA . 15874 1 150 . 1 1 20 20 LEU HB2 H 1 1.124 . . 2 . . . . 29 L HB1 . 15874 1 151 . 1 1 20 20 LEU HB3 H 1 1.566 . . 2 . . . . 29 L HB2 . 15874 1 152 . 1 1 20 20 LEU HD11 H 1 0.879 . . 2 . . . . 29 L HD11 . 15874 1 153 . 1 1 20 20 LEU HD12 H 1 0.879 . . 2 . . . . 29 L HD11 . 15874 1 154 . 1 1 20 20 LEU HD13 H 1 0.879 . . 2 . . . . 29 L HD11 . 15874 1 155 . 1 1 20 20 LEU HD21 H 1 1.052 . . 2 . . . . 29 L HD21 . 15874 1 156 . 1 1 20 20 LEU HD22 H 1 1.052 . . 2 . . . . 29 L HD21 . 15874 1 157 . 1 1 20 20 LEU HD23 H 1 1.052 . . 2 . . . . 29 L HD21 . 15874 1 158 . 1 1 20 20 LEU HG H 1 1.666 . . 1 . . . . 29 L HG . 15874 1 159 . 1 1 20 20 LEU CA C 13 34.887 . . 1 . . . . 29 L CA . 15874 1 160 . 1 1 20 20 LEU CB C 13 42.067 . . 1 . . . . 29 L CB . 15874 1 161 . 1 1 20 20 LEU CD1 C 13 45.303 . . 1 . . . . 29 L CD1 . 15874 1 162 . 1 1 20 20 LEU CD2 C 13 43.779 . . 1 . . . . 29 L CD2 . 15874 1 163 . 1 1 20 20 LEU N N 15 123.033 . . 1 . . . . 29 L N . 15874 1 164 . 1 1 21 21 PRO HA H 1 4.273 . . 1 . . . . 30 P HA . 15874 1 165 . 1 1 21 21 PRO HB2 H 1 2.180 . . 2 . . . . 30 P HB1 . 15874 1 166 . 1 1 21 21 PRO HB3 H 1 1.200 . . 2 . . . . 30 P HB2 . 15874 1 167 . 1 1 21 21 PRO HD2 H 1 3.697 . . 2 . . . . 30 P HD1 . 15874 1 168 . 1 1 21 21 PRO HD3 H 1 2.688 . . 2 . . . . 30 P HD2 . 15874 1 169 . 1 1 21 21 PRO HG2 H 1 1.570 . . 2 . . . . 30 P HG1 . 15874 1 170 . 1 1 21 21 PRO HG3 H 1 0.860 . . 2 . . . . 30 P HG2 . 15874 1 171 . 1 1 21 21 PRO CA C 13 43.649 . . 1 . . . . 30 P CA . 15874 1 172 . 1 1 21 21 PRO CB C 13 31.638 . . 1 . . . . 30 P CB . 15874 1 173 . 1 1 21 21 PRO CD C 13 31.235 . . 1 . . . . 30 P CD . 15874 1 174 . 1 1 21 21 PRO CG C 13 46.461 . . 1 . . . . 30 P CG . 15874 1 175 . 1 1 22 22 GLU H H 1 8.522 . . 1 . . . . 31 E HN . 15874 1 176 . 1 1 22 22 GLU HA H 1 3.988 . . 1 . . . . 31 E HA . 15874 1 177 . 1 1 22 22 GLU HB2 H 1 1.963 . . 2 . . . . 31 E HB1 . 15874 1 178 . 1 1 22 22 GLU HG2 H 1 2.280 . . 2 . . . . 31 E HG1 . 15874 1 179 . 1 1 22 22 GLU HG3 H 1 2.340 . . 2 . . . . 31 E HG2 . 15874 1 180 . 1 1 22 22 GLU CA C 13 39.044 . . 1 . . . . 31 E CA . 15874 1 181 . 1 1 22 22 GLU CB C 13 29.490 . . 1 . . . . 31 E CB . 15874 1 182 . 1 1 22 22 GLU CG C 13 36.400 . . 1 . . . . 31 E CG . 15874 1 183 . 1 1 22 22 GLU N N 15 123.264 . . 1 . . . . 31 E N . 15874 1 184 . 1 1 23 23 GLY H H 1 8.783 . . 1 . . . . 32 G HN . 15874 1 185 . 1 1 23 23 GLY HA2 H 1 4.177 . . 2 . . . . 32 G HA1 . 15874 1 186 . 1 1 23 23 GLY HA3 H 1 3.697 . . 2 . . . . 32 G HA2 . 15874 1 187 . 1 1 23 23 GLY CA C 13 45.506 . . 1 . . . . 32 G CA . 15874 1 188 . 1 1 23 23 GLY N N 15 111.472 . . 1 . . . . 32 G N . 15874 1 189 . 1 1 24 24 VAL H H 1 6.850 . . 1 . . . . 33 V HN . 15874 1 190 . 1 1 24 24 VAL HA H 1 3.805 . . 1 . . . . 33 V HA . 15874 1 191 . 1 1 24 24 VAL HB H 1 1.537 . . 1 . . . . 33 V HB . 15874 1 192 . 1 1 24 24 VAL HG11 H 1 0.210 . . 2 . . . . 33 V HG11 . 15874 1 193 . 1 1 24 24 VAL HG12 H 1 0.210 . . 2 . . . . 33 V HG11 . 15874 1 194 . 1 1 24 24 VAL HG13 H 1 0.210 . . 2 . . . . 33 V HG11 . 15874 1 195 . 1 1 24 24 VAL HG21 H 1 0.027 . . 2 . . . . 33 V HG21 . 15874 1 196 . 1 1 24 24 VAL HG22 H 1 0.027 . . 2 . . . . 33 V HG21 . 15874 1 197 . 1 1 24 24 VAL HG23 H 1 0.027 . . 2 . . . . 33 V HG21 . 15874 1 198 . 1 1 24 24 VAL CA C 13 42.632 . . 1 . . . . 33 V CA . 15874 1 199 . 1 1 24 24 VAL CB C 13 32.321 . . 1 . . . . 33 V CB . 15874 1 200 . 1 1 24 24 VAL CG1 C 13 40.503 . . 1 . . . . 33 V CG1 . 15874 1 201 . 1 1 24 24 VAL CG2 C 13 40.909 . . 1 . . . . 33 V CG2 . 15874 1 202 . 1 1 24 24 VAL N N 15 117.021 . . 1 . . . . 33 V N . 15874 1 203 . 1 1 25 25 ASP H H 1 8.276 . . 1 . . . . 34 D HN . 15874 1 204 . 1 1 25 25 ASP HB2 H 1 3.146 . . 2 . . . . 34 D HB1 . 15874 1 205 . 1 1 25 25 ASP HB3 H 1 2.667 . . 2 . . . . 34 D HB2 . 15874 1 206 . 1 1 25 25 ASP CB C 13 41.766 . . 1 . . . . 34 D CB . 15874 1 207 . 1 1 25 25 ASP N N 15 126.270 . . 1 . . . . 34 D N . 15874 1 208 . 1 1 26 26 PRO HA H 1 4.082 . . 1 . . . . 35 P HA . 15874 1 209 . 1 1 26 26 PRO HB2 H 1 2.140 . . 2 . . . . 35 P HB1 . 15874 1 210 . 1 1 26 26 PRO HB3 H 1 1.900 . . 2 . . . . 35 P HB2 . 15874 1 211 . 1 1 26 26 PRO HD2 H 1 4.206 . . 2 . . . . 35 P HD1 . 15874 1 212 . 1 1 26 26 PRO HD3 H 1 3.950 . . 2 . . . . 35 P HD2 . 15874 1 213 . 1 1 26 26 PRO HG2 H 1 1.900 . . 2 . . . . 35 P HG1 . 15874 1 214 . 1 1 26 26 PRO HG3 H 1 0.940 . . 2 . . . . 35 P HG2 . 15874 1 215 . 1 1 26 26 PRO CA C 13 44.876 . . 1 . . . . 35 P CA . 15874 1 216 . 1 1 26 26 PRO CB C 13 32.282 . . 1 . . . . 35 P CB . 15874 1 217 . 1 1 26 26 PRO CD C 13 32.291 . . 1 . . . . 35 P CD . 15874 1 218 . 1 1 26 26 PRO CG C 13 46.061 . . 1 . . . . 35 P CG . 15874 1 219 . 1 1 27 27 LEU H H 1 8.583 . . 1 . . . . 36 L HN . 15874 1 220 . 1 1 27 27 LEU HA H 1 4.361 . . 1 . . . . 36 L HA . 15874 1 221 . 1 1 27 27 LEU HB2 H 1 1.750 . . 2 . . . . 36 L HB1 . 15874 1 222 . 1 1 27 27 LEU HB3 H 1 1.987 . . 2 . . . . 36 L HB2 . 15874 1 223 . 1 1 27 27 LEU HD11 H 1 1.020 . . 2 . . . . 36 L HD11 . 15874 1 224 . 1 1 27 27 LEU HD12 H 1 1.020 . . 2 . . . . 36 L HD11 . 15874 1 225 . 1 1 27 27 LEU HD13 H 1 1.020 . . 2 . . . . 36 L HD11 . 15874 1 226 . 1 1 27 27 LEU HD21 H 1 0.850 . . 2 . . . . 36 L HD21 . 15874 1 227 . 1 1 27 27 LEU HD22 H 1 0.850 . . 2 . . . . 36 L HD21 . 15874 1 228 . 1 1 27 27 LEU HD23 H 1 0.850 . . 2 . . . . 36 L HD21 . 15874 1 229 . 1 1 27 27 LEU HG H 1 1.677 . . 1 . . . . 36 L HG . 15874 1 230 . 1 1 27 27 LEU CA C 13 36.955 . . 1 . . . . 36 L CA . 15874 1 231 . 1 1 27 27 LEU CB C 13 41.466 . . 1 . . . . 36 L CB . 15874 1 232 . 1 1 27 27 LEU CD1 C 13 44.511 . . 1 . . . . 36 L CD1 . 15874 1 233 . 1 1 27 27 LEU CD2 C 13 41.726 . . 1 . . . . 36 L CD2 . 15874 1 234 . 1 1 27 27 LEU CG C 13 28.052 . . 1 . . . . 36 L CG . 15874 1 235 . 1 1 27 27 LEU N N 15 118.640 . . 1 . . . . 36 L N . 15874 1 236 . 1 1 28 28 LYS H H 1 7.838 . . 1 . . . . 37 K HN . 15874 1 237 . 1 1 28 28 LYS HA H 1 5.037 . . 1 . . . . 37 K HA . 15874 1 238 . 1 1 28 28 LYS HB2 H 1 2.106 . . 2 . . . . 37 K HB1 . 15874 1 239 . 1 1 28 28 LYS HB3 H 1 1.585 . . 2 . . . . 37 K HB2 . 15874 1 240 . 1 1 28 28 LYS HD2 H 1 1.720 . . 2 . . . . 37 K HD1 . 15874 1 241 . 1 1 28 28 LYS HE2 H 1 3.030 . . 2 . . . . 37 K HE1 . 15874 1 242 . 1 1 28 28 LYS HG2 H 1 1.344 . . 2 . . . . 37 K HG1 . 15874 1 243 . 1 1 28 28 LYS CA C 13 35.415 . . 1 . . . . 37 K CA . 15874 1 244 . 1 1 28 28 LYS CB C 13 33.967 . . 1 . . . . 37 K CB . 15874 1 245 . 1 1 28 28 LYS CE C 13 42.360 . . 1 . . . . 37 K CE . 15874 1 246 . 1 1 28 28 LYS CG C 13 43.255 . . 1 . . . . 37 K CG . 15874 1 247 . 1 1 28 28 LYS N N 15 120.258 . . 1 . . . . 37 K N . 15874 1 248 . 1 1 29 29 LEU H H 1 8.203 . . 1 . . . . 38 L HN . 15874 1 249 . 1 1 29 29 LEU HA H 1 4.266 . . 1 . . . . 38 L HA . 15874 1 250 . 1 1 29 29 LEU HB2 H 1 1.448 . . 2 . . . . 38 L HB1 . 15874 1 251 . 1 1 29 29 LEU HB3 H 1 1.889 . . 2 . . . . 38 L HB2 . 15874 1 252 . 1 1 29 29 LEU HD11 H 1 0.943 . . 2 . . . . 38 L HD11 . 15874 1 253 . 1 1 29 29 LEU HD12 H 1 0.943 . . 2 . . . . 38 L HD11 . 15874 1 254 . 1 1 29 29 LEU HD13 H 1 0.943 . . 2 . . . . 38 L HD11 . 15874 1 255 . 1 1 29 29 LEU HD21 H 1 0.896 . . 2 . . . . 38 L HD21 . 15874 1 256 . 1 1 29 29 LEU HD22 H 1 0.896 . . 2 . . . . 38 L HD21 . 15874 1 257 . 1 1 29 29 LEU HD23 H 1 0.896 . . 2 . . . . 38 L HD21 . 15874 1 258 . 1 1 29 29 LEU HG H 1 1.990 . . 1 . . . . 38 L HG . 15874 1 259 . 1 1 29 29 LEU CA C 13 39.317 . . 1 . . . . 38 L CA . 15874 1 260 . 1 1 29 29 LEU CD2 C 13 43.560 . . 1 . . . . 38 L CD2 . 15874 1 261 . 1 1 29 29 LEU CG C 13 45.232 . . 1 . . . . 38 L CG . 15874 1 262 . 1 1 29 29 LEU N N 15 117.021 . . 1 . . . . 38 L N . 15874 1 263 . 1 1 30 30 GLU H H 1 10.041 . . 1 . . . . 39 E HN . 15874 1 264 . 1 1 30 30 GLU HA H 1 4.086 . . 1 . . . . 39 E HA . 15874 1 265 . 1 1 30 30 GLU HB2 H 1 1.994 . . 2 . . . . 39 E HB1 . 15874 1 266 . 1 1 30 30 GLU HB3 H 1 1.677 . . 2 . . . . 39 E HB2 . 15874 1 267 . 1 1 30 30 GLU HG2 H 1 2.308 . . 2 . . . . 39 E HG1 . 15874 1 268 . 1 1 30 30 GLU HG3 H 1 2.178 . . 2 . . . . 39 E HG2 . 15874 1 269 . 1 1 30 30 GLU CA C 13 39.629 . . 1 . . . . 39 E CA . 15874 1 270 . 1 1 30 30 GLU CB C 13 45.835 . . 1 . . . . 39 E CB . 15874 1 271 . 1 1 30 30 GLU CG C 13 35.218 . . 1 . . . . 39 E CG . 15874 1 272 . 1 1 30 30 GLU N N 15 114.478 . . 1 . . . . 39 E N . 15874 1 273 . 1 1 31 31 ILE H H 1 7.920 . . 1 . . . . 40 I HN . 15874 1 274 . 1 1 31 31 ILE HA H 1 4.266 . . 1 . . . . 40 I HA . 15874 1 275 . 1 1 31 31 ILE HB H 1 1.960 . . 1 . . . . 40 I HB . 15874 1 276 . 1 1 31 31 ILE HD11 H 1 0.665 . . 1 . . . . 40 I HD11 . 15874 1 277 . 1 1 31 31 ILE HD12 H 1 0.665 . . 1 . . . . 40 I HD11 . 15874 1 278 . 1 1 31 31 ILE HD13 H 1 0.665 . . 1 . . . . 40 I HD11 . 15874 1 279 . 1 1 31 31 ILE HG12 H 1 1.473 . . 1 . . . . 40 I HG11 . 15874 1 280 . 1 1 31 31 ILE HG13 H 1 0.189 . . 1 . . . . 40 I HG12 . 15874 1 281 . 1 1 31 31 ILE HG21 H 1 0.895 . . 2 . . . . 40 I HG21 . 15874 1 282 . 1 1 31 31 ILE HG22 H 1 0.895 . . 2 . . . . 40 I HG21 . 15874 1 283 . 1 1 31 31 ILE HG23 H 1 0.895 . . 2 . . . . 40 I HG21 . 15874 1 284 . 1 1 31 31 ILE CA C 13 44.411 . . 1 . . . . 40 I CA . 15874 1 285 . 1 1 31 31 ILE CB C 13 37.472 . . 1 . . . . 40 I CB . 15874 1 286 . 1 1 31 31 ILE CD1 C 13 33.400 . . 1 . . . . 40 I CD1 . 15874 1 287 . 1 1 31 31 ILE CG1 C 13 43.428 . . 2 . . . . 40 I CG1 . 15874 1 288 . 1 1 31 31 ILE CG2 C 13 36.083 . . 1 . . . . 40 I CG2 . 15874 1 289 . 1 1 31 31 ILE N N 15 116.790 . . 1 . . . . 40 I N . 15874 1 290 . 1 1 32 32 TYR H H 1 7.426 . . 1 . . . . 41 Y HN . 15874 1 291 . 1 1 32 32 TYR HA H 1 4.928 . . 1 . . . . 41 Y HA . 15874 1 292 . 1 1 32 32 TYR HB2 H 1 3.766 . . 2 . . . . 41 Y HB1 . 15874 1 293 . 1 1 32 32 TYR HB3 H 1 3.062 . . 2 . . . . 41 Y HB2 . 15874 1 294 . 1 1 32 32 TYR HD1 H 1 7.487 . . 3 . . . . 41 Y HD1 . 15874 1 295 . 1 1 32 32 TYR HE1 H 1 6.941 . . 3 . . . . 41 Y HE1 . 15874 1 296 . 1 1 32 32 TYR CB C 13 39.324 . . 1 . . . . 41 Y CB . 15874 1 297 . 1 1 32 32 TYR N N 15 119.565 . . 1 . . . . 41 Y N . 15874 1 298 . 1 1 33 33 LEU H H 1 6.749 . . 1 . . . . 42 L HN . 15874 1 299 . 1 1 33 33 LEU HA H 1 5.266 . . 1 . . . . 42 L HA . 15874 1 300 . 1 1 33 33 LEU HB2 H 1 1.813 . . 2 . . . . 42 L HB1 . 15874 1 301 . 1 1 33 33 LEU HB3 H 1 1.968 . . 2 . . . . 42 L HB2 . 15874 1 302 . 1 1 33 33 LEU HD11 H 1 0.787 . . 2 . . . . 42 L HD11 . 15874 1 303 . 1 1 33 33 LEU HD12 H 1 0.787 . . 2 . . . . 42 L HD11 . 15874 1 304 . 1 1 33 33 LEU HD13 H 1 0.787 . . 2 . . . . 42 L HD11 . 15874 1 305 . 1 1 33 33 LEU HD21 H 1 1.070 . . 2 . . . . 42 L HD21 . 15874 1 306 . 1 1 33 33 LEU HD22 H 1 1.070 . . 2 . . . . 42 L HD21 . 15874 1 307 . 1 1 33 33 LEU HD23 H 1 1.070 . . 2 . . . . 42 L HD21 . 15874 1 308 . 1 1 33 33 LEU HG H 1 1.963 . . 1 . . . . 42 L HG . 15874 1 309 . 1 1 33 33 LEU CA C 13 33.953 . . 1 . . . . 42 L CA . 15874 1 310 . 1 1 33 33 LEU CB C 13 45.122 . . 1 . . . . 42 L CB . 15874 1 311 . 1 1 33 33 LEU CD1 C 13 45.420 . . 1 . . . . 42 L CD1 . 15874 1 312 . 1 1 33 33 LEU CD2 C 13 43.788 . . 1 . . . . 42 L CD2 . 15874 1 313 . 1 1 33 33 LEU CG C 13 44.857 . . 1 . . . . 42 L CG . 15874 1 314 . 1 1 33 33 LEU N N 15 114.709 . . 1 . . . . 42 L N . 15874 1 315 . 1 1 34 34 THR H H 1 9.549 . . 1 . . . . 43 T HN . 15874 1 316 . 1 1 34 34 THR HA H 1 4.319 . . 1 . . . . 43 T HA . 15874 1 317 . 1 1 34 34 THR HB H 1 4.795 . . 1 . . . . 43 T HB . 15874 1 318 . 1 1 34 34 THR HG1 H 1 5.520 . . 1 . . . . 43 T HG1 . 15874 1 319 . 1 1 34 34 THR HG21 H 1 1.506 . . 1 . . . . 43 T HG21 . 15874 1 320 . 1 1 34 34 THR HG22 H 1 1.506 . . 1 . . . . 43 T HG21 . 15874 1 321 . 1 1 34 34 THR HG23 H 1 1.506 . . 1 . . . . 43 T HG21 . 15874 1 322 . 1 1 34 34 THR CA C 13 42.615 . . 1 . . . . 43 T CA . 15874 1 323 . 1 1 34 34 THR CB C 13 34.267 . . 1 . . . . 43 T CB . 15874 1 324 . 1 1 34 34 THR CG2 C 13 41.964 . . 1 . . . . 43 T CG2 . 15874 1 325 . 1 1 34 34 THR N N 15 115.172 . . 1 . . . . 43 T N . 15874 1 326 . 1 1 35 35 ASP H H 1 9.173 . . 1 . . . . 44 D HN . 15874 1 327 . 1 1 35 35 ASP HA H 1 4.361 . . 1 . . . . 44 D HA . 15874 1 328 . 1 1 35 35 ASP HB2 H 1 2.763 . . 2 . . . . 44 D HB1 . 15874 1 329 . 1 1 35 35 ASP HB3 H 1 2.634 . . 2 . . . . 44 D HB2 . 15874 1 330 . 1 1 35 35 ASP CA C 13 39.549 . . 1 . . . . 44 D CA . 15874 1 331 . 1 1 35 35 ASP CB C 13 39.585 . . 1 . . . . 44 D CB . 15874 1 332 . 1 1 35 35 ASP N N 15 122.339 . . 1 . . . . 44 D N . 15874 1 333 . 1 1 36 36 GLU H H 1 8.781 . . 1 . . . . 45 E HN . 15874 1 334 . 1 1 36 36 GLU HA H 1 4.119 . . 1 . . . . 45 E HA . 15874 1 335 . 1 1 36 36 GLU HB2 H 1 2.078 . . 2 . . . . 45 E HB1 . 15874 1 336 . 1 1 36 36 GLU HB3 H 1 1.955 . . 2 . . . . 45 E HB2 . 15874 1 337 . 1 1 36 36 GLU HG2 H 1 2.338 . . 2 . . . . 45 E HG1 . 15874 1 338 . 1 1 36 36 GLU HG3 H 1 2.380 . . 2 . . . . 45 E HG2 . 15874 1 339 . 1 1 36 36 GLU CA C 13 41.388 . . 1 . . . . 45 E CA . 15874 1 340 . 1 1 36 36 GLU CB C 13 29.301 . . 1 . . . . 45 E CB . 15874 1 341 . 1 1 36 36 GLU CG C 13 36.956 . . 1 . . . . 45 E CG . 15874 1 342 . 1 1 36 36 GLU N N 15 118.640 . . 1 . . . . 45 E N . 15874 1 343 . 1 1 37 37 ASP H H 1 7.864 . . 1 . . . . 46 D HN . 15874 1 344 . 1 1 37 37 ASP HA H 1 4.726 . . 1 . . . . 46 D HA . 15874 1 345 . 1 1 37 37 ASP HB2 H 1 3.083 . . 2 . . . . 46 D HB1 . 15874 1 346 . 1 1 37 37 ASP HB3 H 1 2.630 . . 2 . . . . 46 D HB2 . 15874 1 347 . 1 1 37 37 ASP CA C 13 38.055 . . 1 . . . . 46 D CA . 15874 1 348 . 1 1 37 37 ASP CB C 13 41.567 . . 1 . . . . 46 D CB . 15874 1 349 . 1 1 37 37 ASP N N 15 121.646 . . 1 . . . . 46 D N . 15874 1 350 . 1 1 38 38 PHE H H 1 9.196 . . 1 . . . . 47 F HN . 15874 1 351 . 1 1 38 38 PHE HA H 1 3.753 . . 1 . . . . 47 F HA . 15874 1 352 . 1 1 38 38 PHE HB2 H 1 2.970 . . 2 . . . . 47 F HB1 . 15874 1 353 . 1 1 38 38 PHE HB3 H 1 3.567 . . 2 . . . . 47 F HB2 . 15874 1 354 . 1 1 38 38 PHE HD1 H 1 7.160 . . 3 . . . . 47 F HD1 . 15874 1 355 . 1 1 38 38 PHE HE1 H 1 6.585 . . 3 . . . . 47 F HE1 . 15874 1 356 . 1 1 38 38 PHE HZ H 1 6.425 . . 1 . . . . 47 F HZ . 15874 1 357 . 1 1 38 38 PHE CA C 13 43.221 . . 1 . . . . 47 F CA . 15874 1 358 . 1 1 38 38 PHE CB C 13 40.280 . . 1 . . . . 47 F CB . 15874 1 359 . 1 1 38 38 PHE N N 15 122.802 . . 1 . . . . 47 F N . 15874 1 360 . 1 1 39 39 GLU H H 1 8.496 . . 1 . . . . 48 E HN . 15874 1 361 . 1 1 39 39 GLU HA H 1 4.413 . . 1 . . . . 48 E HA . 15874 1 362 . 1 1 39 39 GLU HB2 H 1 2.067 . . 2 . . . . 48 E HB1 . 15874 1 363 . 1 1 39 39 GLU HG2 H 1 2.650 . . 2 . . . . 48 E HG1 . 15874 1 364 . 1 1 39 39 GLU HG3 H 1 2.401 . . 2 . . . . 48 E HG2 . 15874 1 365 . 1 1 39 39 GLU CA C 13 40.140 . . 1 . . . . 48 E CA . 15874 1 366 . 1 1 39 39 GLU CB C 13 29.498 . . 1 . . . . 48 E CB . 15874 1 367 . 1 1 39 39 GLU CG C 13 37.210 . . 1 . . . . 48 E CG . 15874 1 368 . 1 1 39 39 GLU N N 15 118.177 . . 1 . . . . 48 E N . 15874 1 369 . 1 1 40 40 PHE H H 1 7.898 . . 1 . . . . 49 F HN . 15874 1 370 . 1 1 40 40 PHE HA H 1 4.320 . . 1 . . . . 49 F HA . 15874 1 371 . 1 1 40 40 PHE HB2 H 1 3.394 . . 2 . . . . 49 F HB1 . 15874 1 372 . 1 1 40 40 PHE HB3 H 1 3.190 . . 2 . . . . 49 F HB2 . 15874 1 373 . 1 1 40 40 PHE HD1 H 1 7.211 . . 3 . . . . 49 F HD1 . 15874 1 374 . 1 1 40 40 PHE HE1 H 1 7.344 . . 3 . . . . 49 F HE1 . 15874 1 375 . 1 1 40 40 PHE HZ H 1 7.380 . . 1 . . . . 49 F HZ . 15874 1 376 . 1 1 40 40 PHE CA C 13 41.713 . . 1 . . . . 49 F CA . 15874 1 377 . 1 1 40 40 PHE CB C 13 39.847 . . 1 . . . . 49 F CB . 15874 1 378 . 1 1 40 40 PHE N N 15 119.565 . . 1 . . . . 49 F N . 15874 1 379 . 1 1 41 41 ALA H H 1 8.637 . . 1 . . . . 50 A HN . 15874 1 380 . 1 1 41 41 ALA HA H 1 3.947 . . 1 . . . . 50 A HA . 15874 1 381 . 1 1 41 41 ALA HB1 H 1 1.389 . . 1 . . . . 50 A HB1 . 15874 1 382 . 1 1 41 41 ALA HB2 H 1 1.389 . . 1 . . . . 50 A HB1 . 15874 1 383 . 1 1 41 41 ALA HB3 H 1 1.389 . . 1 . . . . 50 A HB1 . 15874 1 384 . 1 1 41 41 ALA CA C 13 35.451 . . 1 . . . . 50 A CA . 15874 1 385 . 1 1 41 41 ALA CB C 13 39.091 . . 1 . . . . 50 A CB . 15874 1 386 . 1 1 41 41 ALA N N 15 119.565 . . 1 . . . . 50 A N . 15874 1 387 . 1 1 42 42 LEU H H 1 8.275 . . 1 . . . . 51 L HN . 15874 1 388 . 1 1 42 42 LEU HA H 1 4.142 . . 1 . . . . 51 L HA . 15874 1 389 . 1 1 42 42 LEU HB2 H 1 1.278 . . 2 . . . . 51 L HB1 . 15874 1 390 . 1 1 42 42 LEU HD11 H 1 0.408 . . 2 . . . . 51 L HD11 . 15874 1 391 . 1 1 42 42 LEU HD12 H 1 0.408 . . 2 . . . . 51 L HD11 . 15874 1 392 . 1 1 42 42 LEU HD13 H 1 0.408 . . 2 . . . . 51 L HD11 . 15874 1 393 . 1 1 42 42 LEU HD21 H 1 -0.317 . . 2 . . . . 51 L HD21 . 15874 1 394 . 1 1 42 42 LEU HD22 H 1 -0.317 . . 2 . . . . 51 L HD21 . 15874 1 395 . 1 1 42 42 LEU HD23 H 1 -0.317 . . 2 . . . . 51 L HD21 . 15874 1 396 . 1 1 42 42 LEU HG H 1 0.952 . . 1 . . . . 51 L HG . 15874 1 397 . 1 1 42 42 LEU CA C 13 35.946 . . 1 . . . . 51 L CA . 15874 1 398 . 1 1 42 42 LEU CB C 13 41.238 . . 1 . . . . 51 L CB . 15874 1 399 . 1 1 42 42 LEU CD1 C 13 42.634 . . 1 . . . . 51 L CD1 . 15874 1 400 . 1 1 42 42 LEU CD2 C 13 43.180 . . 1 . . . . 51 L CD2 . 15874 1 401 . 1 1 42 42 LEU CG C 13 46.200 . . 1 . . . . 51 L CG . 15874 1 402 . 1 1 42 42 LEU N N 15 113.553 . . 1 . . . . 51 L N . 15874 1 403 . 1 1 43 43 ASP H H 1 7.841 . . 1 . . . . 52 D HN . 15874 1 404 . 1 1 43 43 ASP HA H 1 4.483 . . 1 . . . . 52 D HA . 15874 1 405 . 1 1 43 43 ASP HB2 H 1 3.083 . . 2 . . . . 52 D HB1 . 15874 1 406 . 1 1 43 43 ASP HB3 H 1 2.542 . . 2 . . . . 52 D HB2 . 15874 1 407 . 1 1 43 43 ASP CA C 13 36.572 . . 1 . . . . 52 D CA . 15874 1 408 . 1 1 43 43 ASP CB C 13 39.869 . . 1 . . . . 52 D CB . 15874 1 409 . 1 1 43 43 ASP N N 15 115.865 . . 1 . . . . 52 D N . 15874 1 410 . 1 1 44 44 MET H H 1 7.424 . . 1 . . . . 53 M HN . 15874 1 411 . 1 1 44 44 MET HA H 1 4.753 . . 1 . . . . 53 M HA . 15874 1 412 . 1 1 44 44 MET HB2 H 1 2.422 . . 2 . . . . 53 M HB1 . 15874 1 413 . 1 1 44 44 MET HB3 H 1 2.155 . . 2 . . . . 53 M HB2 . 15874 1 414 . 1 1 44 44 MET HE1 H 1 2.069 . . 1 . . . . 53 M HE1 . 15874 1 415 . 1 1 44 44 MET HE2 H 1 2.069 . . 1 . . . . 53 M HE1 . 15874 1 416 . 1 1 44 44 MET HE3 H 1 2.069 . . 1 . . . . 53 M HE1 . 15874 1 417 . 1 1 44 44 MET HG2 H 1 2.450 . . 2 . . . . 53 M HG1 . 15874 1 418 . 1 1 44 44 MET HG3 H 1 2.496 . . 2 . . . . 53 M HG2 . 15874 1 419 . 1 1 44 44 MET CA C 13 36.030 . . 1 . . . . 53 M CA . 15874 1 420 . 1 1 44 44 MET CB C 13 34.947 . . 1 . . . . 53 M CB . 15874 1 421 . 1 1 44 44 MET CG C 13 29.178 . . 1 . . . . 53 M CG . 15874 1 422 . 1 1 44 44 MET N N 15 111.703 . . 1 . . . . 53 M N . 15874 1 423 . 1 1 45 45 THR H H 1 8.372 . . 1 . . . . 54 T HN . 15874 1 424 . 1 1 45 45 THR HA H 1 4.526 . . 1 . . . . 54 T HA . 15874 1 425 . 1 1 45 45 THR HB H 1 4.680 . . 1 . . . . 54 T HB . 15874 1 426 . 1 1 45 45 THR HG21 H 1 1.304 . . 1 . . . . 54 T HG21 . 15874 1 427 . 1 1 45 45 THR HG22 H 1 1.304 . . 1 . . . . 54 T HG21 . 15874 1 428 . 1 1 45 45 THR HG23 H 1 1.304 . . 1 . . . . 54 T HG21 . 15874 1 429 . 1 1 45 45 THR CA C 13 41.951 . . 1 . . . . 54 T CA . 15874 1 430 . 1 1 45 45 THR CB C 13 33.933 . . 1 . . . . 54 T CB . 15874 1 431 . 1 1 45 45 THR CG2 C 13 40.778 . . 1 . . . . 54 T CG2 . 15874 1 432 . 1 1 45 45 THR N N 15 107.079 . . 1 . . . . 54 T N . 15874 1 433 . 1 1 46 46 ARG H H 1 8.999 . . 1 . . . . 55 R HN . 15874 1 434 . 1 1 46 46 ARG HA H 1 3.469 . . 1 . . . . 55 R HA . 15874 1 435 . 1 1 46 46 ARG HB2 H 1 1.373 . . 2 . . . . 55 R HB1 . 15874 1 436 . 1 1 46 46 ARG HB3 H 1 1.083 . . 2 . . . . 55 R HB2 . 15874 1 437 . 1 1 46 46 ARG HD2 H 1 2.911 . . 2 . . . . 55 R HD1 . 15874 1 438 . 1 1 46 46 ARG HE H 1 7.298 . . 1 . . . . 55 R HE . 15874 1 439 . 1 1 46 46 ARG HG2 H 1 0.806 . . 2 . . . . 55 R HG1 . 15874 1 440 . 1 1 46 46 ARG HG3 H 1 0.724 . . 2 . . . . 55 R HG2 . 15874 1 441 . 1 1 46 46 ARG CA C 13 41.154 . . 1 . . . . 55 R CA . 15874 1 442 . 1 1 46 46 ARG CB C 13 29.806 . . 1 . . . . 55 R CB . 15874 1 443 . 1 1 46 46 ARG CD C 13 42.678 . . 1 . . . . 55 R CD . 15874 1 444 . 1 1 46 46 ARG CG C 13 46.563 . . 1 . . . . 55 R CG . 15874 1 445 . 1 1 46 46 ARG N N 15 122.570 . . 1 . . . . 55 R N . 15874 1 446 . 1 1 46 46 ARG NE N 15 114.940 . . 1 . . . . 55 R NE . 15874 1 447 . 1 1 47 47 ASP H H 1 8.199 . . 1 . . . . 56 D HN . 15874 1 448 . 1 1 47 47 ASP HA H 1 4.334 . . 1 . . . . 56 D HA . 15874 1 449 . 1 1 47 47 ASP HB2 H 1 2.556 . . 2 . . . . 56 D HB1 . 15874 1 450 . 1 1 47 47 ASP HB3 H 1 2.501 . . 2 . . . . 56 D HB2 . 15874 1 451 . 1 1 47 47 ASP CB C 13 40.724 . . 1 . . . . 56 D CB . 15874 1 452 . 1 1 47 47 ASP N N 15 116.559 . . 1 . . . . 56 D N . 15874 1 453 . 1 1 48 48 GLU H H 1 7.547 . . 1 . . . . 57 E HN . 15874 1 454 . 1 1 48 48 GLU HA H 1 3.920 . . 1 . . . . 57 E HA . 15874 1 455 . 1 1 48 48 GLU HB2 H 1 2.053 . . 2 . . . . 57 E HB1 . 15874 1 456 . 1 1 48 48 GLU HB3 H 1 2.287 . . 2 . . . . 57 E HB2 . 15874 1 457 . 1 1 48 48 GLU HG2 H 1 2.300 . . 2 . . . . 57 E HG1 . 15874 1 458 . 1 1 48 48 GLU CA C 13 40.418 . . 1 . . . . 57 E CA . 15874 1 459 . 1 1 48 48 GLU CB C 13 29.932 . . 1 . . . . 57 E CB . 15874 1 460 . 1 1 48 48 GLU CG C 13 37.319 . . 1 . . . . 57 E CG . 15874 1 461 . 1 1 48 48 GLU N N 15 120.721 . . 1 . . . . 57 E N . 15874 1 462 . 1 1 49 49 TYR H H 1 8.535 . . 1 . . . . 58 Y HN . 15874 1 463 . 1 1 49 49 TYR HA H 1 4.181 . . 1 . . . . 58 Y HA . 15874 1 464 . 1 1 49 49 TYR HB2 H 1 3.286 . . 2 . . . . 58 Y HB1 . 15874 1 465 . 1 1 49 49 TYR HB3 H 1 3.110 . . 2 . . . . 58 Y HB2 . 15874 1 466 . 1 1 49 49 TYR HD1 H 1 7.137 . . 3 . . . . 58 Y HD1 . 15874 1 467 . 1 1 49 49 TYR HE1 H 1 6.830 . . 3 . . . . 58 Y HE1 . 15874 1 468 . 1 1 49 49 TYR CA C 13 42.353 . . 1 . . . . 58 Y CA . 15874 1 469 . 1 1 49 49 TYR CB C 13 39.530 . . 1 . . . . 58 Y CB . 15874 1 470 . 1 1 49 49 TYR N N 15 122.570 . . 1 . . . . 58 Y N . 15874 1 471 . 1 1 50 50 ASN H H 1 8.869 . . 1 . . . . 59 N HN . 15874 1 472 . 1 1 50 50 ASN HA H 1 4.293 . . 1 . . . . 59 N HA . 15874 1 473 . 1 1 50 50 ASN HB2 H 1 2.868 . . 2 . . . . 59 N HB1 . 15874 1 474 . 1 1 50 50 ASN HD21 H 1 7.711 . . 2 . . . . 59 N HD21 . 15874 1 475 . 1 1 50 50 ASN HD22 H 1 6.731 . . 2 . . . . 59 N HD22 . 15874 1 476 . 1 1 50 50 ASN CA C 13 35.728 . . 1 . . . . 59 N CA . 15874 1 477 . 1 1 50 50 ASN CB C 13 38.117 . . 1 . . . . 59 N CB . 15874 1 478 . 1 1 50 50 ASN N N 15 117.484 . . 1 . . . . 59 N N . 15874 1 479 . 1 1 50 50 ASN ND2 N 15 111.241 . . 1 . . . . 59 N ND2 . 15874 1 480 . 1 1 51 51 ALA H H 1 7.146 . . 1 . . . . 60 A HN . 15874 1 481 . 1 1 51 51 ALA HA H 1 4.342 . . 1 . . . . 60 A HA . 15874 1 482 . 1 1 51 51 ALA HB1 H 1 1.441 . . 1 . . . . 60 A HB1 . 15874 1 483 . 1 1 51 51 ALA HB2 H 1 1.441 . . 1 . . . . 60 A HB1 . 15874 1 484 . 1 1 51 51 ALA HB3 H 1 1.441 . . 1 . . . . 60 A HB1 . 15874 1 485 . 1 1 51 51 ALA CA C 13 33.070 . . 1 . . . . 60 A CA . 15874 1 486 . 1 1 51 51 ALA CB C 13 38.063 . . 1 . . . . 60 A CB . 15874 1 487 . 1 1 51 51 ALA N N 15 120.027 . . 1 . . . . 60 A N . 15874 1 488 . 1 1 52 52 LEU H H 1 7.396 . . 1 . . . . 61 L HN . 15874 1 489 . 1 1 52 52 LEU HA H 1 4.338 . . 1 . . . . 61 L HA . 15874 1 490 . 1 1 52 52 LEU HB2 H 1 1.725 . . 2 . . . . 61 L HB1 . 15874 1 491 . 1 1 52 52 LEU HB3 H 1 0.920 . . 2 . . . . 61 L HB2 . 15874 1 492 . 1 1 52 52 LEU HD11 H 1 0.667 . . 2 . . . . 61 L HD11 . 15874 1 493 . 1 1 52 52 LEU HD12 H 1 0.667 . . 2 . . . . 61 L HD11 . 15874 1 494 . 1 1 52 52 LEU HD13 H 1 0.667 . . 2 . . . . 61 L HD11 . 15874 1 495 . 1 1 52 52 LEU HD21 H 1 0.744 . . 2 . . . . 61 L HD21 . 15874 1 496 . 1 1 52 52 LEU HD22 H 1 0.744 . . 2 . . . . 61 L HD21 . 15874 1 497 . 1 1 52 52 LEU HD23 H 1 0.744 . . 2 . . . . 61 L HD21 . 15874 1 498 . 1 1 52 52 LEU HG H 1 1.985 . . 1 . . . . 61 L HG . 15874 1 499 . 1 1 52 52 LEU CA C 13 33.941 . . 1 . . . . 61 L CA . 15874 1 500 . 1 1 52 52 LEU CB C 13 42.540 . . 1 . . . . 61 L CB . 15874 1 501 . 1 1 52 52 LEU CD1 C 13 44.894 . . 1 . . . . 61 L CD1 . 15874 1 502 . 1 1 52 52 LEU CD2 C 13 41.434 . . 1 . . . . 61 L CD2 . 15874 1 503 . 1 1 52 52 LEU CG C 13 45.014 . . 1 . . . . 61 L CG . 15874 1 504 . 1 1 52 52 LEU N N 15 121.183 . . 1 . . . . 61 L N . 15874 1 505 . 1 1 53 53 PRO HA H 1 4.381 . . 1 . . . . 62 P HA . 15874 1 506 . 1 1 53 53 PRO HB2 H 1 2.374 . . 2 . . . . 62 P HB1 . 15874 1 507 . 1 1 53 53 PRO HB3 H 1 1.271 . . 2 . . . . 62 P HB2 . 15874 1 508 . 1 1 53 53 PRO HD2 H 1 3.139 . . 2 . . . . 62 P HD1 . 15874 1 509 . 1 1 53 53 PRO HD3 H 1 3.798 . . 2 . . . . 62 P HD2 . 15874 1 510 . 1 1 53 53 PRO HG2 H 1 2.079 . . 2 . . . . 62 P HG1 . 15874 1 511 . 1 1 53 53 PRO HG3 H 1 1.453 . . 2 . . . . 62 P HG2 . 15874 1 512 . 1 1 53 53 PRO CA C 13 43.181 . . 1 . . . . 62 P CA . 15874 1 513 . 1 1 53 53 PRO CB C 13 32.503 . . 1 . . . . 62 P CB . 15874 1 514 . 1 1 53 53 PRO CD C 13 30.980 . . 1 . . . . 62 P CD . 15874 1 515 . 1 1 53 53 PRO CG C 13 46.693 . . 1 . . . . 62 P CG . 15874 1 516 . 1 1 54 54 ALA H H 1 8.847 . . 1 . . . . 63 A HN . 15874 1 517 . 1 1 54 54 ALA HA H 1 3.953 . . 1 . . . . 63 A HA . 15874 1 518 . 1 1 54 54 ALA HB1 H 1 1.537 . . 1 . . . . 63 A HB1 . 15874 1 519 . 1 1 54 54 ALA HB2 H 1 1.537 . . 1 . . . . 63 A HB1 . 15874 1 520 . 1 1 54 54 ALA HB3 H 1 1.537 . . 1 . . . . 63 A HB1 . 15874 1 521 . 1 1 54 54 ALA CA C 13 36.779 . . 1 . . . . 63 A CA . 15874 1 522 . 1 1 54 54 ALA CB C 13 36.769 . . 1 . . . . 63 A CB . 15874 1 523 . 1 1 54 54 ALA N N 15 126.270 . . 1 . . . . 63 A N . 15874 1 524 . 1 1 55 55 TRP H H 1 7.875 . . 1 . . . . 64 W HN . 15874 1 525 . 1 1 55 55 TRP HA H 1 4.378 . . 1 . . . . 64 W HA . 15874 1 526 . 1 1 55 55 TRP HB2 H 1 3.227 . . 2 . . . . 64 W HB1 . 15874 1 527 . 1 1 55 55 TRP HB3 H 1 3.495 . . 2 . . . . 64 W HB2 . 15874 1 528 . 1 1 55 55 TRP HD1 H 1 7.592 . . 1 . . . . 64 W HD1 . 15874 1 529 . 1 1 55 55 TRP HE1 H 1 10.560 . . 3 . . . . 64 W HE1 . 15874 1 530 . 1 1 55 55 TRP HE3 H 1 7.382 . . 3 . . . . 64 W HE3 . 15874 1 531 . 1 1 55 55 TRP HH2 H 1 7.250 . . 1 . . . . 64 W HH2 . 15874 1 532 . 1 1 55 55 TRP HZ2 H 1 7.542 . . 3 . . . . 64 W HZ2 . 15874 1 533 . 1 1 55 55 TRP HZ3 H 1 7.090 . . 3 . . . . 64 W HZ3 . 15874 1 534 . 1 1 55 55 TRP CA C 13 39.808 . . 1 . . . . 64 W CA . 15874 1 535 . 1 1 55 55 TRP CB C 13 45.794 . . 1 . . . . 64 W CB . 15874 1 536 . 1 1 55 55 TRP N N 15 113.553 . . 1 . . . . 64 W N . 15874 1 537 . 1 1 55 55 TRP NE1 N 15 130.663 . . 1 . . . . 64 W NE1 . 15874 1 538 . 1 1 56 56 LYS H H 1 6.197 . . 1 . . . . 65 K HN . 15874 1 539 . 1 1 56 56 LYS HA H 1 3.631 . . 1 . . . . 65 K HA . 15874 1 540 . 1 1 56 56 LYS HB2 H 1 1.343 . . 2 . . . . 65 K HB1 . 15874 1 541 . 1 1 56 56 LYS HB3 H 1 0.790 . . 2 . . . . 65 K HB2 . 15874 1 542 . 1 1 56 56 LYS HD2 H 1 1.340 . . 2 . . . . 65 K HD1 . 15874 1 543 . 1 1 56 56 LYS HE2 H 1 2.750 . . 2 . . . . 65 K HE1 . 15874 1 544 . 1 1 56 56 LYS HE3 H 1 2.800 . . 2 . . . . 65 K HE2 . 15874 1 545 . 1 1 56 56 LYS HG2 H 1 0.525 . . 2 . . . . 65 K HG1 . 15874 1 546 . 1 1 56 56 LYS HG3 H 1 0.225 . . 2 . . . . 65 K HG2 . 15874 1 547 . 1 1 56 56 LYS CA C 13 39.976 . . 1 . . . . 65 K CA . 15874 1 548 . 1 1 56 56 LYS CB C 13 32.615 . . 1 . . . . 65 K CB . 15874 1 549 . 1 1 56 56 LYS CD C 13 29.551 . . 1 . . . . 65 K CD . 15874 1 550 . 1 1 56 56 LYS CG C 13 44.002 . . 1 . . . . 65 K CG . 15874 1 551 . 1 1 56 56 LYS N N 15 122.802 . . 1 . . . . 65 K N . 15874 1 552 . 1 1 57 57 GLN H H 1 7.521 . . 1 . . . . 66 Q HN . 15874 1 553 . 1 1 57 57 GLN HA H 1 3.585 . . 1 . . . . 66 Q HA . 15874 1 554 . 1 1 57 57 GLN HB2 H 1 2.133 . . 2 . . . . 66 Q HB1 . 15874 1 555 . 1 1 57 57 GLN HB3 H 1 2.345 . . 2 . . . . 66 Q HB2 . 15874 1 556 . 1 1 57 57 GLN HE21 H 1 6.819 . . 2 . . . . 66 Q HE21 . 15874 1 557 . 1 1 57 57 GLN HE22 H 1 6.688 . . 2 . . . . 66 Q HE22 . 15874 1 558 . 1 1 57 57 GLN HG2 H 1 1.973 . . 2 . . . . 66 Q HG1 . 15874 1 559 . 1 1 57 57 GLN HG3 H 1 0.964 . . 2 . . . . 66 Q HG2 . 15874 1 560 . 1 1 57 57 GLN CA C 13 40.775 . . 1 . . . . 66 Q CA . 15874 1 561 . 1 1 57 57 GLN CB C 13 46.154 . . 1 . . . . 66 Q CB . 15874 1 562 . 1 1 57 57 GLN CG C 13 33.625 . . 1 . . . . 66 Q CG . 15874 1 563 . 1 1 57 57 GLN N N 15 120.480 . . 1 . . . . 66 Q N . 15874 1 564 . 1 1 57 57 GLN NE2 N 15 113.091 . . 1 . . . . 66 Q NE2 . 15874 1 565 . 1 1 58 58 VAL H H 1 7.775 . . 1 . . . . 67 V HN . 15874 1 566 . 1 1 58 58 VAL HA H 1 3.197 . . 1 . . . . 67 V HA . 15874 1 567 . 1 1 58 58 VAL HB H 1 1.931 . . 1 . . . . 67 V HB . 15874 1 568 . 1 1 58 58 VAL HG11 H 1 0.981 . . 2 . . . . 67 V HG11 . 15874 1 569 . 1 1 58 58 VAL HG12 H 1 0.981 . . 2 . . . . 67 V HG11 . 15874 1 570 . 1 1 58 58 VAL HG13 H 1 0.981 . . 2 . . . . 67 V HG11 . 15874 1 571 . 1 1 58 58 VAL HG21 H 1 0.430 . . 2 . . . . 67 V HG21 . 15874 1 572 . 1 1 58 58 VAL HG22 H 1 0.430 . . 2 . . . . 67 V HG21 . 15874 1 573 . 1 1 58 58 VAL HG23 H 1 0.430 . . 2 . . . . 67 V HG21 . 15874 1 574 . 1 1 58 58 VAL CA C 13 29.564 . . 1 . . . . 67 V CA . 15874 1 575 . 1 1 58 58 VAL CB C 13 31.723 . . 1 . . . . 67 V CB . 15874 1 576 . 1 1 58 58 VAL CG1 C 13 41.908 . . 1 . . . . 67 V CG1 . 15874 1 577 . 1 1 58 58 VAL CG2 C 13 39.618 . . 1 . . . . 67 V CG2 . 15874 1 578 . 1 1 58 58 VAL N N 15 117.021 . . 1 . . . . 67 V N . 15874 1 579 . 1 1 59 59 ASN H H 1 7.497 . . 1 . . . . 68 N HN . 15874 1 580 . 1 1 59 59 ASN HA H 1 4.310 . . 1 . . . . 68 N HA . 15874 1 581 . 1 1 59 59 ASN HB2 H 1 2.859 . . 2 . . . . 68 N HB1 . 15874 1 582 . 1 1 59 59 ASN HD21 H 1 7.883 . . 2 . . . . 68 N HD21 . 15874 1 583 . 1 1 59 59 ASN HD22 H 1 7.296 . . 2 . . . . 68 N HD22 . 15874 1 584 . 1 1 59 59 ASN CA C 13 37.310 . . 1 . . . . 68 N CA . 15874 1 585 . 1 1 59 59 ASN CB C 13 37.866 . . 1 . . . . 68 N CB . 15874 1 586 . 1 1 59 59 ASN N N 15 118.177 . . 1 . . . . 68 N N . 15874 1 587 . 1 1 59 59 ASN ND2 N 15 110.779 . . 1 . . . . 68 N ND2 . 15874 1 588 . 1 1 60 60 LEU H H 1 8.144 . . 1 . . . . 69 L HN . 15874 1 589 . 1 1 60 60 LEU HA H 1 4.226 . . 1 . . . . 69 L HA . 15874 1 590 . 1 1 60 60 LEU HB2 H 1 1.865 . . 2 . . . . 69 L HB1 . 15874 1 591 . 1 1 60 60 LEU HB3 H 1 1.685 . . 2 . . . . 69 L HB2 . 15874 1 592 . 1 1 60 60 LEU HD11 H 1 0.956 . . 2 . . . . 69 L HD11 . 15874 1 593 . 1 1 60 60 LEU HD12 H 1 0.956 . . 2 . . . . 69 L HD11 . 15874 1 594 . 1 1 60 60 LEU HD13 H 1 0.956 . . 2 . . . . 69 L HD11 . 15874 1 595 . 1 1 60 60 LEU HD21 H 1 1.054 . . 2 . . . . 69 L HD21 . 15874 1 596 . 1 1 60 60 LEU HD22 H 1 1.054 . . 2 . . . . 69 L HD21 . 15874 1 597 . 1 1 60 60 LEU HD23 H 1 1.054 . . 2 . . . . 69 L HD21 . 15874 1 598 . 1 1 60 60 LEU HG H 1 1.562 . . 1 . . . . 69 L HG . 15874 1 599 . 1 1 60 60 LEU CA C 13 39.078 . . 1 . . . . 69 L CA . 15874 1 600 . 1 1 60 60 LEU CB C 13 42.244 . . 1 . . . . 69 L CB . 15874 1 601 . 1 1 60 60 LEU CD2 C 13 45.483 . . 1 . . . . 69 L CD2 . 15874 1 602 . 1 1 60 60 LEU CG C 13 45.880 . . 1 . . . . 69 L CG . 15874 1 603 . 1 1 60 60 LEU N N 15 122.570 . . 1 . . . . 69 L N . 15874 1 604 . 1 1 61 61 LYS H H 1 8.190 . . 1 . . . . 70 K HN . 15874 1 605 . 1 1 61 61 LYS HA H 1 3.610 . . 1 . . . . 70 K HA . 15874 1 606 . 1 1 61 61 LYS HB2 H 1 1.543 . . 2 . . . . 70 K HB1 . 15874 1 607 . 1 1 61 61 LYS HB3 H 1 1.999 . . 2 . . . . 70 K HB2 . 15874 1 608 . 1 1 61 61 LYS HD2 H 1 1.300 . . 2 . . . . 70 K HD1 . 15874 1 609 . 1 1 61 61 LYS HE2 H 1 2.190 . . 2 . . . . 70 K HE1 . 15874 1 610 . 1 1 61 61 LYS HG2 H 1 1.182 . . 2 . . . . 70 K HG1 . 15874 1 611 . 1 1 61 61 LYS CA C 13 43.383 . . 1 . . . . 70 K CA . 15874 1 612 . 1 1 61 61 LYS CB C 13 32.375 . . 1 . . . . 70 K CB . 15874 1 613 . 1 1 61 61 LYS CG C 13 46.202 . . 1 . . . . 70 K CG . 15874 1 614 . 1 1 61 61 LYS N N 15 116.790 . . 1 . . . . 70 K N . 15874 1 615 . 1 1 62 62 LYS H H 1 8.863 . . 1 . . . . 71 K HN . 15874 1 616 . 1 1 62 62 LYS HA H 1 4.121 . . 1 . . . . 71 K HA . 15874 1 617 . 1 1 62 62 LYS HB2 H 1 1.925 . . 2 . . . . 71 K HB1 . 15874 1 618 . 1 1 62 62 LYS HD2 H 1 1.643 . . 2 . . . . 71 K HD1 . 15874 1 619 . 1 1 62 62 LYS HE2 H 1 2.912 . . 2 . . . . 71 K HE1 . 15874 1 620 . 1 1 62 62 LYS HE3 H 1 2.739 . . 2 . . . . 71 K HE2 . 15874 1 621 . 1 1 62 62 LYS HG2 H 1 1.530 . . 2 . . . . 71 K HG1 . 15874 1 622 . 1 1 62 62 LYS HG3 H 1 1.464 . . 2 . . . . 71 K HG2 . 15874 1 623 . 1 1 62 62 LYS CA C 13 41.331 . . 1 . . . . 71 K CA . 15874 1 624 . 1 1 62 62 LYS CB C 13 32.973 . . 1 . . . . 71 K CB . 15874 1 625 . 1 1 62 62 LYS CD C 13 30.088 . . 1 . . . . 71 K CD . 15874 1 626 . 1 1 62 62 LYS CE C 13 42.167 . . 1 . . . . 71 K CE . 15874 1 627 . 1 1 62 62 LYS CG C 13 45.208 . . 1 . . . . 71 K CG . 15874 1 628 . 1 1 62 62 LYS N N 15 119.102 . . 1 . . . . 71 K N . 15874 1 629 . 1 1 63 63 ALA H H 1 7.734 . . 1 . . . . 72 A HN . 15874 1 630 . 1 1 63 63 ALA HA H 1 4.211 . . 1 . . . . 72 A HA . 15874 1 631 . 1 1 63 63 ALA HB1 H 1 1.606 . . 1 . . . . 72 A HB1 . 15874 1 632 . 1 1 63 63 ALA HB2 H 1 1.606 . . 1 . . . . 72 A HB1 . 15874 1 633 . 1 1 63 63 ALA HB3 H 1 1.606 . . 1 . . . . 72 A HB1 . 15874 1 634 . 1 1 63 63 ALA CA C 13 35.710 . . 1 . . . . 72 A CA . 15874 1 635 . 1 1 63 63 ALA CB C 13 37.243 . . 1 . . . . 72 A CB . 15874 1 636 . 1 1 63 63 ALA N N 15 121.414 . . 1 . . . . 72 A N . 15874 1 637 . 1 1 64 64 LYS H H 1 7.546 . . 1 . . . . 73 K HN . 15874 1 638 . 1 1 64 64 LYS HA H 1 4.468 . . 1 . . . . 73 K HA . 15874 1 639 . 1 1 64 64 LYS HB2 H 1 2.060 . . 2 . . . . 73 K HB1 . 15874 1 640 . 1 1 64 64 LYS HB3 H 1 1.600 . . 2 . . . . 73 K HB2 . 15874 1 641 . 1 1 64 64 LYS HD2 H 1 1.660 . . 2 . . . . 73 K HD1 . 15874 1 642 . 1 1 64 64 LYS HE2 H 1 2.840 . . 2 . . . . 73 K HE1 . 15874 1 643 . 1 1 64 64 LYS HG2 H 1 1.410 . . 2 . . . . 73 K HG1 . 15874 1 644 . 1 1 64 64 LYS CA C 13 34.628 . . 1 . . . . 73 K CA . 15874 1 645 . 1 1 64 64 LYS CB C 13 32.588 . . 1 . . . . 73 K CB . 15874 1 646 . 1 1 64 64 LYS N N 15 114.016 . . 1 . . . . 73 K N . 15874 1 647 . 1 1 65 65 GLY H H 1 7.508 . . 1 . . . . 74 G HN . 15874 1 648 . 1 1 65 65 GLY HA2 H 1 4.260 . . 2 . . . . 74 G HA1 . 15874 1 649 . 1 1 65 65 GLY HA3 H 1 4.012 . . 2 . . . . 74 G HA2 . 15874 1 650 . 1 1 65 65 GLY CA C 13 46.235 . . 1 . . . . 74 G CA . 15874 1 651 . 1 1 65 65 GLY N N 15 105.692 . . 1 . . . . 74 G N . 15874 1 652 . 1 1 66 66 LEU H H 1 8.400 . . 1 . . . . 75 L HN . 15874 1 653 . 1 1 66 66 LEU HA H 1 4.519 . . 1 . . . . 75 L HA . 15874 1 654 . 1 1 66 66 LEU HB2 H 1 1.881 . . 2 . . . . 75 L HB1 . 15874 1 655 . 1 1 66 66 LEU HB3 H 1 1.135 . . 2 . . . . 75 L HB2 . 15874 1 656 . 1 1 66 66 LEU HD11 H 1 0.588 . . 2 . . . . 75 L HD11 . 15874 1 657 . 1 1 66 66 LEU HD12 H 1 0.588 . . 2 . . . . 75 L HD11 . 15874 1 658 . 1 1 66 66 LEU HD13 H 1 0.588 . . 2 . . . . 75 L HD11 . 15874 1 659 . 1 1 66 66 LEU HD21 H 1 0.644 . . 2 . . . . 75 L HD21 . 15874 1 660 . 1 1 66 66 LEU HD22 H 1 0.644 . . 2 . . . . 75 L HD21 . 15874 1 661 . 1 1 66 66 LEU HD23 H 1 0.644 . . 2 . . . . 75 L HD21 . 15874 1 662 . 1 1 66 66 LEU HG H 1 1.494 . . 1 . . . . 75 L HG . 15874 1 663 . 1 1 66 66 LEU CA C 13 34.331 . . 1 . . . . 75 L CA . 15874 1 664 . 1 1 66 66 LEU CB C 13 42.886 . . 1 . . . . 75 L CB . 15874 1 665 . 1 1 66 66 LEU CD1 C 13 45.178 . . 1 . . . . 75 L CD1 . 15874 1 666 . 1 1 66 66 LEU CD2 C 13 42.593 . . 1 . . . . 75 L CD2 . 15874 1 667 . 1 1 66 66 LEU CG C 13 44.980 . . 1 . . . . 75 L CG . 15874 1 668 . 1 1 66 66 LEU N N 15 120.952 . . 1 . . . . 75 L N . 15874 1 669 . 1 1 67 67 PHE H H 1 7.517 . . 1 . . . . 76 F HN . 15874 1 670 . 1 1 67 67 PHE HA H 1 4.192 . . 1 . . . . 76 F HA . 15874 1 671 . 1 1 67 67 PHE HB2 H 1 2.747 . . 2 . . . . 76 F HB1 . 15874 1 672 . 1 1 67 67 PHE HD1 H 1 7.316 . . 3 . . . . 76 F HD1 . 15874 1 673 . 1 1 67 67 PHE HE1 H 1 7.486 . . 3 . . . . 76 F HE1 . 15874 1 674 . 1 1 67 67 PHE HZ H 1 7.410 . . 1 . . . . 76 F HZ . 15874 1 675 . 1 1 67 67 PHE CA C 13 42.030 . . 1 . . . . 76 F CA . 15874 1 676 . 1 1 67 67 PHE CB C 13 43.840 . . 1 . . . . 76 F CB . 15874 1 677 . 1 1 67 67 PHE N N 15 126.039 . . 1 . . . . 76 F N . 15874 1 stop_ save_