data_34292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34292 _Entry.Title ; The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-22 _Entry.Accession_date 2018-06-22 _Entry.Last_release_date 2019-04-18 _Entry.Original_release_date 2019-04-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34292 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Lisboa J. . . . 34292 2 L. Celma L. . . . 34292 3 D. Sanchez D. . . . 34292 4 M. Marquis M. . . . 34292 5 J. Andreani J. . . . 34292 6 R. Guerois R. . . . 34292 7 F. Ochsenbein F. . . . 34292 8 D. Durand D. . . . 34292 9 S. Marsin S. . . . 34292 10 P. Cuniasse P. . . . 34292 11 J. Radicella J. P. . . 34292 12 S. Quevillon-Cheruel S. . . . 34292 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34292 DprA . 34292 'Helicobacter pylori' . 34292 'Winged Helix' . 34292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 34292 '15N chemical shifts' 55 34292 '1H chemical shifts' 427 34292 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 . . 2019-08-06 2018-06-22 update BMRB 'update entry citation' 34292 1 . . 2019-04-22 2018-06-22 original author 'original release' 34292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GW7 . 34292 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34292 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1111/febs.14788 _Citation.PubMed_ID 30771270 _Citation.Full_citation . _Citation.Title ; The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 286 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-464X _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 1941 _Citation.Page_last 1958 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Lisboa J. . . . 34292 1 2 L. Celma L. . . . 34292 1 3 D. Sanchez D. . . . 34292 1 4 M. Marquis M. . . . 34292 1 5 J. Andreani J. . . . 34292 1 6 R. Guerois R. . . . 34292 1 7 F. Ochsenbein F. . . . 34292 1 8 D. Durand D. . . . 34292 1 9 S. Marsin S. . . . 34292 1 10 P. Cuniasse P. . . . 34292 1 11 J. Radicella J. P. . . 34292 1 12 S. Quevillon-Cheruel S. . . . 34292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34292 _Assembly.ID 1 _Assembly.Name 'DNA protecting protein DprA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLKDYHLKEMPEMEDEFLEY CAKNPSYEEAYLKFGDKLLE YELLGKIKRINHIVVLAHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7139.292 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34292 1 2 . LEU . 34292 1 3 . LYS . 34292 1 4 . ASP . 34292 1 5 . TYR . 34292 1 6 . HIS . 34292 1 7 . LEU . 34292 1 8 . LYS . 34292 1 9 . GLU . 34292 1 10 . MET . 34292 1 11 . PRO . 34292 1 12 . GLU . 34292 1 13 . MET . 34292 1 14 . GLU . 34292 1 15 . ASP . 34292 1 16 . GLU . 34292 1 17 . PHE . 34292 1 18 . LEU . 34292 1 19 . GLU . 34292 1 20 . TYR . 34292 1 21 . CYS . 34292 1 22 . ALA . 34292 1 23 . LYS . 34292 1 24 . ASN . 34292 1 25 . PRO . 34292 1 26 . SER . 34292 1 27 . TYR . 34292 1 28 . GLU . 34292 1 29 . GLU . 34292 1 30 . ALA . 34292 1 31 . TYR . 34292 1 32 . LEU . 34292 1 33 . LYS . 34292 1 34 . PHE . 34292 1 35 . GLY . 34292 1 36 . ASP . 34292 1 37 . LYS . 34292 1 38 . LEU . 34292 1 39 . LEU . 34292 1 40 . GLU . 34292 1 41 . TYR . 34292 1 42 . GLU . 34292 1 43 . LEU . 34292 1 44 . LEU . 34292 1 45 . GLY . 34292 1 46 . LYS . 34292 1 47 . ILE . 34292 1 48 . LYS . 34292 1 49 . ARG . 34292 1 50 . ILE . 34292 1 51 . ASN . 34292 1 52 . HIS . 34292 1 53 . ILE . 34292 1 54 . VAL . 34292 1 55 . VAL . 34292 1 56 . LEU . 34292 1 57 . ALA . 34292 1 58 . HIS . 34292 1 59 . HIS . 34292 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 34292 1 . LEU 2 2 34292 1 . LYS 3 3 34292 1 . ASP 4 4 34292 1 . TYR 5 5 34292 1 . HIS 6 6 34292 1 . LEU 7 7 34292 1 . LYS 8 8 34292 1 . GLU 9 9 34292 1 . MET 10 10 34292 1 . PRO 11 11 34292 1 . GLU 12 12 34292 1 . MET 13 13 34292 1 . GLU 14 14 34292 1 . ASP 15 15 34292 1 . GLU 16 16 34292 1 . PHE 17 17 34292 1 . LEU 18 18 34292 1 . GLU 19 19 34292 1 . TYR 20 20 34292 1 . CYS 21 21 34292 1 . ALA 22 22 34292 1 . LYS 23 23 34292 1 . ASN 24 24 34292 1 . PRO 25 25 34292 1 . SER 26 26 34292 1 . TYR 27 27 34292 1 . GLU 28 28 34292 1 . GLU 29 29 34292 1 . ALA 30 30 34292 1 . TYR 31 31 34292 1 . LEU 32 32 34292 1 . LYS 33 33 34292 1 . PHE 34 34 34292 1 . GLY 35 35 34292 1 . ASP 36 36 34292 1 . LYS 37 37 34292 1 . LEU 38 38 34292 1 . LEU 39 39 34292 1 . GLU 40 40 34292 1 . TYR 41 41 34292 1 . GLU 42 42 34292 1 . LEU 43 43 34292 1 . LEU 44 44 34292 1 . GLY 45 45 34292 1 . LYS 46 46 34292 1 . ILE 47 47 34292 1 . LYS 48 48 34292 1 . ARG 49 49 34292 1 . ILE 50 50 34292 1 . ASN 51 51 34292 1 . HIS 52 52 34292 1 . ILE 53 53 34292 1 . VAL 54 54 34292 1 . VAL 55 55 34292 1 . LEU 56 56 34292 1 . ALA 57 57 34292 1 . HIS 58 58 34292 1 . HIS 59 59 34292 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 34292 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 210 organism . 'Helicobacter pylori' 'Campylobacter pylori' . . Bacteria . Helicobacter pylori . . . . . . . . . . . BB415_01075 . 34292 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 34292 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 34292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34292 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '128 uM 15N,13C HpDprA CTD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HpDprA CTD' '[U-15N; U-13C]' . . 1 $entity_1 . . 128 . . uM . . . . 34292 1 2 'Phosphate Buffer (NH2PO4)' 'natural abundance' . . . . . . 20 . . mM . . . . 34292 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34292 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34292 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '128 uM [U-13C; U-15N] C-terminal Domain of Helicobacter Pylori RecA-loader DNA Processing Protein A (DprA), 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HpDprA CTD' '[U-13C; U-15N]' . . 1 $entity_1 . . 128 . . uM . . . . 34292 2 2 'Phosphate Buffer (NH2PO4)' 'natural abundance' . . . . . . 20 . . mM . . . . 34292 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34292 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34292 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '34 uM [U-15N] C-terminal Domain of Helicobacter Pylori RecA-loader DNA Processing Protein A (DprA), 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HpDprA CTD' [U-15N] . . 1 $entity_1 . . 34 . . uM . . . . 34292 3 2 'Phosphate Buffer (NH2PO4)' 'natural abundance' . . . . . . 20 . . mM . . . . 34292 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34292 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34292 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34292 1 pH 5.6 . pH 34292 1 pressure 1 . atm 34292 1 temperature 298 . K 34292 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34292 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34292 2 pH 5.6 . pD 34292 2 pressure 1 . atm 34292 2 temperature 298 . K 34292 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34292 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34292 3 pH 7.4 . pH 34292 3 pressure 1 . atm 34292 3 temperature 300 . K 34292 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34292 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34292 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34292 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34292 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34292 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34292 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34292 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34292 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34292 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34292 _Software.ID 4 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34292 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34292 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34292 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34292 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34292 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34292 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 34292 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker Avance . 950 . . . 34292 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 34292 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 34292 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34292 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34292 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34292 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34292 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34292 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34292 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34292 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34292 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34292 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34292 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34292 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34292 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 34292 1 2 '3D 1H-13C NOESY aromatic' . . . 34292 1 3 '3D 1H-15N NOESY' . . . 34292 1 4 '2D 1H-15N HSQC' . . . 34292 1 5 '3D 1H-15N TOCSY' . . . 34292 1 6 '3D HNCA' . . . 34292 1 7 '3D HBHA(CO)NH' . . . 34292 1 8 '3D CBCA(CO)NH' . . . 34292 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.102 0.000 . 1 . . . . A 1 MET HA . 34292 1 2 . 1 1 1 1 MET HB2 H 1 2.158 0.000 . 1 . . . . A 1 MET HB2 . 34292 1 3 . 1 1 1 1 MET HB3 H 1 2.158 0.000 . 1 . . . . A 1 MET HB3 . 34292 1 4 . 1 1 1 1 MET HG2 H 1 2.582 0.000 . 1 . . . . A 1 MET HG2 . 34292 1 5 . 1 1 1 1 MET HG3 H 1 2.582 0.000 . 1 . . . . A 1 MET HG3 . 34292 1 6 . 1 1 1 1 MET CA C 13 55.046 0.000 . 1 . . . . A 1 MET CA . 34292 1 7 . 1 1 1 1 MET CB C 13 33.165 0.000 . 1 . . . . A 1 MET CB . 34292 1 8 . 1 1 1 1 MET CG C 13 31.061 0.000 . 1 . . . . A 1 MET CG . 34292 1 9 . 1 1 2 2 LEU H H 1 8.679 0.000 . 1 . . . . A 2 LEU H . 34292 1 10 . 1 1 2 2 LEU HA H 1 4.379 0.000 . 1 . . . . A 2 LEU HA . 34292 1 11 . 1 1 2 2 LEU HG H 1 1.617 0.000 . 1 . . . . A 2 LEU HG . 34292 1 12 . 1 1 2 2 LEU HD11 H 1 0.922 0.000 . 2 . . . . A 2 LEU HD11 . 34292 1 13 . 1 1 2 2 LEU HD12 H 1 0.922 0.000 . 2 . . . . A 2 LEU HD12 . 34292 1 14 . 1 1 2 2 LEU HD13 H 1 0.922 0.000 . 2 . . . . A 2 LEU HD13 . 34292 1 15 . 1 1 2 2 LEU HD21 H 1 0.877 0.000 . 2 . . . . A 2 LEU HD21 . 34292 1 16 . 1 1 2 2 LEU HD22 H 1 0.877 0.000 . 2 . . . . A 2 LEU HD22 . 34292 1 17 . 1 1 2 2 LEU HD23 H 1 0.877 0.000 . 2 . . . . A 2 LEU HD23 . 34292 1 18 . 1 1 2 2 LEU CA C 13 55.578 0.000 . 1 . . . . A 2 LEU CA . 34292 1 19 . 1 1 2 2 LEU CB C 13 42.357 0.000 . 1 . . . . A 2 LEU CB . 34292 1 20 . 1 1 2 2 LEU CG C 13 27.172 0.000 . 1 . . . . A 2 LEU CG . 34292 1 21 . 1 1 2 2 LEU CD1 C 13 24.381 0.000 . 2 . . . . A 2 LEU CD1 . 34292 1 22 . 1 1 2 2 LEU CD2 C 13 24.042 0.000 . 2 . . . . A 2 LEU CD2 . 34292 1 23 . 1 1 2 2 LEU N N 15 125.563 0.000 . 1 . . . . A 2 LEU N . 34292 1 24 . 1 1 3 3 LYS H H 1 8.228 0.000 . 1 . . . . A 3 LYS H . 34292 1 25 . 1 1 3 3 LYS HA H 1 4.273 0.000 . 1 . . . . A 3 LYS HA . 34292 1 26 . 1 1 3 3 LYS HB2 H 1 1.821 0.000 . 2 . . . . A 3 LYS HB2 . 34292 1 27 . 1 1 3 3 LYS HB3 H 1 1.754 0.000 . 2 . . . . A 3 LYS HB3 . 34292 1 28 . 1 1 3 3 LYS HG2 H 1 1.448 0.000 . 1 . . . . A 3 LYS HG2 . 34292 1 29 . 1 1 3 3 LYS HG3 H 1 1.448 0.000 . 1 . . . . A 3 LYS HG3 . 34292 1 30 . 1 1 3 3 LYS HD2 H 1 1.675 0.000 . 1 . . . . A 3 LYS HD2 . 34292 1 31 . 1 1 3 3 LYS HD3 H 1 1.675 0.000 . 1 . . . . A 3 LYS HD3 . 34292 1 32 . 1 1 3 3 LYS HE2 H 1 2.988 0.000 . 1 . . . . A 3 LYS HE2 . 34292 1 33 . 1 1 3 3 LYS HE3 H 1 2.988 0.000 . 1 . . . . A 3 LYS HE3 . 34292 1 34 . 1 1 3 3 LYS CA C 13 56.533 0.000 . 1 . . . . A 3 LYS CA . 34292 1 35 . 1 1 3 3 LYS CB C 13 33.153 0.007 . 1 . . . . A 3 LYS CB . 34292 1 36 . 1 1 3 3 LYS CG C 13 25.037 0.000 . 1 . . . . A 3 LYS CG . 34292 1 37 . 1 1 3 3 LYS CD C 13 29.319 0.000 . 1 . . . . A 3 LYS CD . 34292 1 38 . 1 1 3 3 LYS CE C 13 42.046 0.000 . 1 . . . . A 3 LYS CE . 34292 1 39 . 1 1 3 3 LYS N N 15 121.809 0.000 . 1 . . . . A 3 LYS N . 34292 1 40 . 1 1 4 4 ASP H H 1 8.181 0.000 . 1 . . . . A 4 ASP H . 34292 1 41 . 1 1 4 4 ASP HA H 1 4.544 0.000 . 1 . . . . A 4 ASP HA . 34292 1 42 . 1 1 4 4 ASP HB2 H 1 2.561 0.000 . 1 . . . . A 4 ASP HB2 . 34292 1 43 . 1 1 4 4 ASP HB3 H 1 2.561 0.000 . 1 . . . . A 4 ASP HB3 . 34292 1 44 . 1 1 4 4 ASP CA C 13 54.025 0.000 . 1 . . . . A 4 ASP CA . 34292 1 45 . 1 1 4 4 ASP CB C 13 41.510 0.000 . 1 . . . . A 4 ASP CB . 34292 1 46 . 1 1 4 4 ASP N N 15 120.879 0.000 . 1 . . . . A 4 ASP N . 34292 1 47 . 1 1 5 5 TYR H H 1 8.079 0.000 . 1 . . . . A 5 TYR H . 34292 1 48 . 1 1 5 5 TYR HA H 1 4.445 0.000 . 1 . . . . A 5 TYR HA . 34292 1 49 . 1 1 5 5 TYR HB2 H 1 2.999 0.000 . 2 . . . . A 5 TYR HB2 . 34292 1 50 . 1 1 5 5 TYR HB3 H 1 2.900 0.000 . 2 . . . . A 5 TYR HB3 . 34292 1 51 . 1 1 5 5 TYR HD1 H 1 7.083 0.000 . 1 . . . . A 5 TYR HD1 . 34292 1 52 . 1 1 5 5 TYR HD2 H 1 7.083 0.000 . 1 . . . . A 5 TYR HD2 . 34292 1 53 . 1 1 5 5 TYR HE1 H 1 6.805 0.000 . 1 . . . . A 5 TYR HE1 . 34292 1 54 . 1 1 5 5 TYR HE2 H 1 6.805 0.000 . 1 . . . . A 5 TYR HE2 . 34292 1 55 . 1 1 5 5 TYR CA C 13 58.305 0.000 . 1 . . . . A 5 TYR CA . 34292 1 56 . 1 1 5 5 TYR CB C 13 38.669 0.017 . 1 . . . . A 5 TYR CB . 34292 1 57 . 1 1 5 5 TYR CD1 C 13 133.432 0.000 . 1 . . . . A 5 TYR CD1 . 34292 1 58 . 1 1 5 5 TYR CD2 C 13 133.432 0.000 . 1 . . . . A 5 TYR CD2 . 34292 1 59 . 1 1 5 5 TYR CE1 C 13 118.709 0.000 . 1 . . . . A 5 TYR CE1 . 34292 1 60 . 1 1 5 5 TYR CE2 C 13 118.709 0.000 . 1 . . . . A 5 TYR CE2 . 34292 1 61 . 1 1 5 5 TYR N N 15 121.459 0.000 . 1 . . . . A 5 TYR N . 34292 1 62 . 1 1 6 6 HIS H H 1 8.374 0.000 . 1 . . . . A 6 HIS H . 34292 1 63 . 1 1 6 6 HIS HA H 1 4.532 0.000 . 1 . . . . A 6 HIS HA . 34292 1 64 . 1 1 6 6 HIS HB2 H 1 3.198 0.000 . 2 . . . . A 6 HIS HB2 . 34292 1 65 . 1 1 6 6 HIS HB3 H 1 3.098 0.000 . 2 . . . . A 6 HIS HB3 . 34292 1 66 . 1 1 6 6 HIS CA C 13 56.011 0.000 . 1 . . . . A 6 HIS CA . 34292 1 67 . 1 1 6 6 HIS CB C 13 29.116 0.000 . 1 . . . . A 6 HIS CB . 34292 1 68 . 1 1 6 6 HIS N N 15 119.923 0.000 . 1 . . . . A 6 HIS N . 34292 1 69 . 1 1 7 7 LEU H H 1 8.053 0.000 . 1 . . . . A 7 LEU H . 34292 1 70 . 1 1 7 7 LEU HA H 1 4.257 0.000 . 1 . . . . A 7 LEU HA . 34292 1 71 . 1 1 7 7 LEU HB2 H 1 1.612 0.000 . 1 . . . . A 7 LEU HB2 . 34292 1 72 . 1 1 7 7 LEU HB3 H 1 1.612 0.000 . 1 . . . . A 7 LEU HB3 . 34292 1 73 . 1 1 7 7 LEU HG H 1 1.497 0.000 . 1 . . . . A 7 LEU HG . 34292 1 74 . 1 1 7 7 LEU HD11 H 1 0.931 0.000 . 2 . . . . A 7 LEU HD11 . 34292 1 75 . 1 1 7 7 LEU HD12 H 1 0.931 0.000 . 2 . . . . A 7 LEU HD12 . 34292 1 76 . 1 1 7 7 LEU HD13 H 1 0.931 0.000 . 2 . . . . A 7 LEU HD13 . 34292 1 77 . 1 1 7 7 LEU HD21 H 1 0.852 0.000 . 2 . . . . A 7 LEU HD21 . 34292 1 78 . 1 1 7 7 LEU HD22 H 1 0.852 0.000 . 2 . . . . A 7 LEU HD22 . 34292 1 79 . 1 1 7 7 LEU HD23 H 1 0.852 0.000 . 2 . . . . A 7 LEU HD23 . 34292 1 80 . 1 1 7 7 LEU CA C 13 55.475 0.000 . 1 . . . . A 7 LEU CA . 34292 1 81 . 1 1 7 7 LEU CB C 13 42.497 0.000 . 1 . . . . A 7 LEU CB . 34292 1 82 . 1 1 7 7 LEU CG C 13 27.737 0.000 . 1 . . . . A 7 LEU CG . 34292 1 83 . 1 1 7 7 LEU CD1 C 13 24.654 0.000 . 2 . . . . A 7 LEU CD1 . 34292 1 84 . 1 1 7 7 LEU CD2 C 13 23.838 0.000 . 2 . . . . A 7 LEU CD2 . 34292 1 85 . 1 1 7 7 LEU N N 15 122.430 0.000 . 1 . . . . A 7 LEU N . 34292 1 86 . 1 1 8 8 LYS H H 1 8.387 0.000 . 1 . . . . A 8 LYS H . 34292 1 87 . 1 1 8 8 LYS HA H 1 4.225 0.000 . 1 . . . . A 8 LYS HA . 34292 1 88 . 1 1 8 8 LYS HB2 H 1 1.753 0.000 . 2 . . . . A 8 LYS HB2 . 34292 1 89 . 1 1 8 8 LYS HB3 H 1 1.679 0.000 . 2 . . . . A 8 LYS HB3 . 34292 1 90 . 1 1 8 8 LYS HG2 H 1 1.351 0.000 . 2 . . . . A 8 LYS HG2 . 34292 1 91 . 1 1 8 8 LYS HG3 H 1 1.286 0.000 . 2 . . . . A 8 LYS HG3 . 34292 1 92 . 1 1 8 8 LYS HD2 H 1 1.913 0.000 . 1 . . . . A 8 LYS HD2 . 34292 1 93 . 1 1 8 8 LYS HD3 H 1 1.913 0.000 . 1 . . . . A 8 LYS HD3 . 34292 1 94 . 1 1 8 8 LYS HE2 H 1 2.949 0.000 . 1 . . . . A 8 LYS HE2 . 34292 1 95 . 1 1 8 8 LYS HE3 H 1 2.949 0.000 . 1 . . . . A 8 LYS HE3 . 34292 1 96 . 1 1 8 8 LYS CA C 13 56.434 0.000 . 1 . . . . A 8 LYS CA . 34292 1 97 . 1 1 8 8 LYS CB C 13 33.151 0.020 . 1 . . . . A 8 LYS CB . 34292 1 98 . 1 1 8 8 LYS CG C 13 24.864 0.002 . 1 . . . . A 8 LYS CG . 34292 1 99 . 1 1 8 8 LYS CD C 13 31.628 0.000 . 1 . . . . A 8 LYS CD . 34292 1 100 . 1 1 8 8 LYS CE C 13 42.068 0.000 . 1 . . . . A 8 LYS CE . 34292 1 101 . 1 1 8 8 LYS N N 15 122.577 0.000 . 1 . . . . A 8 LYS N . 34292 1 102 . 1 1 9 9 GLU H H 1 8.327 0.000 . 1 . . . . A 9 GLU H . 34292 1 103 . 1 1 9 9 GLU HA H 1 4.286 0.000 . 1 . . . . A 9 GLU HA . 34292 1 104 . 1 1 9 9 GLU HB2 H 1 2.049 0.012 . 2 . . . . A 9 GLU HB2 . 34292 1 105 . 1 1 9 9 GLU HB3 H 1 1.928 0.000 . 2 . . . . A 9 GLU HB3 . 34292 1 106 . 1 1 9 9 GLU HG2 H 1 2.279 0.000 . 1 . . . . A 9 GLU HG2 . 34292 1 107 . 1 1 9 9 GLU HG3 H 1 2.279 0.000 . 1 . . . . A 9 GLU HG3 . 34292 1 108 . 1 1 9 9 GLU CA C 13 56.291 0.000 . 1 . . . . A 9 GLU CA . 34292 1 109 . 1 1 9 9 GLU CB C 13 30.300 0.187 . 1 . . . . A 9 GLU CB . 34292 1 110 . 1 1 9 9 GLU CG C 13 36.282 0.000 . 1 . . . . A 9 GLU CG . 34292 1 111 . 1 1 9 9 GLU N N 15 121.581 0.000 . 1 . . . . A 9 GLU N . 34292 1 112 . 1 1 10 10 MET H H 1 8.383 0.000 . 1 . . . . A 10 MET H . 34292 1 113 . 1 1 10 10 MET HA H 1 4.794 0.000 . 1 . . . . A 10 MET HA . 34292 1 114 . 1 1 10 10 MET HB2 H 1 2.097 0.000 . 2 . . . . A 10 MET HB2 . 34292 1 115 . 1 1 10 10 MET HB3 H 1 1.966 0.000 . 2 . . . . A 10 MET HB3 . 34292 1 116 . 1 1 10 10 MET HG2 H 1 2.615 0.000 . 2 . . . . A 10 MET HG2 . 34292 1 117 . 1 1 10 10 MET HG3 H 1 2.559 0.000 . 2 . . . . A 10 MET HG3 . 34292 1 118 . 1 1 10 10 MET CA C 13 53.494 0.000 . 1 . . . . A 10 MET CA . 34292 1 119 . 1 1 10 10 MET CB C 13 32.579 0.009 . 1 . . . . A 10 MET CB . 34292 1 120 . 1 1 10 10 MET CG C 13 32.299 0.025 . 1 . . . . A 10 MET CG . 34292 1 121 . 1 1 10 10 MET N N 15 122.555 0.000 . 1 . . . . A 10 MET N . 34292 1 122 . 1 1 11 11 PRO HA H 1 4.412 0.000 . 1 . . . . A 11 PRO HA . 34292 1 123 . 1 1 11 11 PRO HB2 H 1 2.293 0.000 . 2 . . . . A 11 PRO HB2 . 34292 1 124 . 1 1 11 11 PRO HB3 H 1 1.913 0.000 . 2 . . . . A 11 PRO HB3 . 34292 1 125 . 1 1 11 11 PRO HG2 H 1 1.990 0.000 . 2 . . . . A 11 PRO HG2 . 34292 1 126 . 1 1 11 11 PRO HG3 H 1 2.027 0.000 . 2 . . . . A 11 PRO HG3 . 34292 1 127 . 1 1 11 11 PRO HD2 H 1 3.703 0.000 . 2 . . . . A 11 PRO HD2 . 34292 1 128 . 1 1 11 11 PRO HD3 H 1 3.783 0.000 . 2 . . . . A 11 PRO HD3 . 34292 1 129 . 1 1 11 11 PRO CA C 13 63.824 0.000 . 1 . . . . A 11 PRO CA . 34292 1 130 . 1 1 11 11 PRO CB C 13 32.232 0.010 . 1 . . . . A 11 PRO CB . 34292 1 131 . 1 1 11 11 PRO CG C 13 27.660 0.000 . 1 . . . . A 11 PRO CG . 34292 1 132 . 1 1 11 11 PRO CD C 13 50.793 0.010 . 1 . . . . A 11 PRO CD . 34292 1 133 . 1 1 12 12 GLU H H 1 8.658 0.000 . 1 . . . . A 12 GLU H . 34292 1 134 . 1 1 12 12 GLU HA H 1 4.257 0.000 . 1 . . . . A 12 GLU HA . 34292 1 135 . 1 1 12 12 GLU HB2 H 1 1.983 0.000 . 1 . . . . A 12 GLU HB2 . 34292 1 136 . 1 1 12 12 GLU HB3 H 1 1.983 0.000 . 1 . . . . A 12 GLU HB3 . 34292 1 137 . 1 1 12 12 GLU HG2 H 1 2.279 0.000 . 1 . . . . A 12 GLU HG2 . 34292 1 138 . 1 1 12 12 GLU HG3 H 1 2.279 0.000 . 1 . . . . A 12 GLU HG3 . 34292 1 139 . 1 1 12 12 GLU CA C 13 57.299 0.000 . 1 . . . . A 12 GLU CA . 34292 1 140 . 1 1 12 12 GLU CB C 13 30.036 0.000 . 1 . . . . A 12 GLU CB . 34292 1 141 . 1 1 12 12 GLU CG C 13 36.447 0.000 . 1 . . . . A 12 GLU CG . 34292 1 142 . 1 1 12 12 GLU N N 15 120.553 0.000 . 1 . . . . A 12 GLU N . 34292 1 143 . 1 1 13 13 MET H H 1 8.302 0.000 . 1 . . . . A 13 MET H . 34292 1 144 . 1 1 13 13 MET HA H 1 4.447 0.000 . 1 . . . . A 13 MET HA . 34292 1 145 . 1 1 13 13 MET HB2 H 1 2.090 0.000 . 1 . . . . A 13 MET HB2 . 34292 1 146 . 1 1 13 13 MET HB3 H 1 2.090 0.000 . 1 . . . . A 13 MET HB3 . 34292 1 147 . 1 1 13 13 MET HG2 H 1 2.567 0.000 . 2 . . . . A 13 MET HG2 . 34292 1 148 . 1 1 13 13 MET HG3 H 1 2.483 0.000 . 2 . . . . A 13 MET HG3 . 34292 1 149 . 1 1 13 13 MET CA C 13 56.072 0.000 . 1 . . . . A 13 MET CA . 34292 1 150 . 1 1 13 13 MET CB C 13 33.129 0.000 . 1 . . . . A 13 MET CB . 34292 1 151 . 1 1 13 13 MET CG C 13 32.369 0.022 . 1 . . . . A 13 MET CG . 34292 1 152 . 1 1 13 13 MET N N 15 120.266 0.000 . 1 . . . . A 13 MET N . 34292 1 153 . 1 1 14 14 GLU H H 1 8.360 0.000 . 1 . . . . A 14 GLU H . 34292 1 154 . 1 1 14 14 GLU HA H 1 4.202 0.000 . 1 . . . . A 14 GLU HA . 34292 1 155 . 1 1 14 14 GLU HB2 H 1 2.102 0.000 . 2 . . . . A 14 GLU HB2 . 34292 1 156 . 1 1 14 14 GLU HB3 H 1 2.045 0.000 . 2 . . . . A 14 GLU HB3 . 34292 1 157 . 1 1 14 14 GLU HG2 H 1 2.290 0.000 . 1 . . . . A 14 GLU HG2 . 34292 1 158 . 1 1 14 14 GLU HG3 H 1 2.290 0.000 . 1 . . . . A 14 GLU HG3 . 34292 1 159 . 1 1 14 14 GLU CA C 13 57.601 0.000 . 1 . . . . A 14 GLU CA . 34292 1 160 . 1 1 14 14 GLU CB C 13 30.157 0.009 . 1 . . . . A 14 GLU CB . 34292 1 161 . 1 1 14 14 GLU CG C 13 36.373 0.000 . 1 . . . . A 14 GLU CG . 34292 1 162 . 1 1 14 14 GLU N N 15 121.757 0.000 . 1 . . . . A 14 GLU N . 34292 1 163 . 1 1 15 15 ASP H H 1 8.255 0.000 . 1 . . . . A 15 ASP H . 34292 1 164 . 1 1 15 15 ASP HA H 1 4.557 0.000 . 1 . . . . A 15 ASP HA . 34292 1 165 . 1 1 15 15 ASP HB2 H 1 2.880 0.000 . 2 . . . . A 15 ASP HB2 . 34292 1 166 . 1 1 15 15 ASP HB3 H 1 2.650 0.000 . 2 . . . . A 15 ASP HB3 . 34292 1 167 . 1 1 15 15 ASP CA C 13 55.395 0.000 . 1 . . . . A 15 ASP CA . 34292 1 168 . 1 1 15 15 ASP CB C 13 41.360 0.013 . 1 . . . . A 15 ASP CB . 34292 1 169 . 1 1 15 15 ASP N N 15 121.168 0.000 . 1 . . . . A 15 ASP N . 34292 1 170 . 1 1 16 16 GLU H H 1 8.746 0.000 . 1 . . . . A 16 GLU H . 34292 1 171 . 1 1 16 16 GLU HA H 1 4.106 0.000 . 1 . . . . A 16 GLU HA . 34292 1 172 . 1 1 16 16 GLU HB2 H 1 2.163 0.000 . 1 . . . . A 16 GLU HB2 . 34292 1 173 . 1 1 16 16 GLU HB3 H 1 2.163 0.000 . 1 . . . . A 16 GLU HB3 . 34292 1 174 . 1 1 16 16 GLU HG2 H 1 2.445 0.000 . 2 . . . . A 16 GLU HG2 . 34292 1 175 . 1 1 16 16 GLU HG3 H 1 2.348 0.000 . 2 . . . . A 16 GLU HG3 . 34292 1 176 . 1 1 16 16 GLU CA C 13 59.550 0.000 . 1 . . . . A 16 GLU CA . 34292 1 177 . 1 1 16 16 GLU CB C 13 29.697 0.000 . 1 . . . . A 16 GLU CB . 34292 1 178 . 1 1 16 16 GLU CG C 13 36.456 0.025 . 1 . . . . A 16 GLU CG . 34292 1 179 . 1 1 16 16 GLU N N 15 123.151 0.000 . 1 . . . . A 16 GLU N . 34292 1 180 . 1 1 17 17 PHE H H 1 8.183 0.000 . 1 . . . . A 17 PHE H . 34292 1 181 . 1 1 17 17 PHE HA H 1 3.899 0.000 . 1 . . . . A 17 PHE HA . 34292 1 182 . 1 1 17 17 PHE HB2 H 1 2.754 0.000 . 2 . . . . A 17 PHE HB2 . 34292 1 183 . 1 1 17 17 PHE HB3 H 1 2.639 0.000 . 2 . . . . A 17 PHE HB3 . 34292 1 184 . 1 1 17 17 PHE HD1 H 1 5.669 0.000 . 1 . . . . A 17 PHE HD1 . 34292 1 185 . 1 1 17 17 PHE HD2 H 1 5.669 0.000 . 1 . . . . A 17 PHE HD2 . 34292 1 186 . 1 1 17 17 PHE HE1 H 1 6.418 0.000 . 1 . . . . A 17 PHE HE1 . 34292 1 187 . 1 1 17 17 PHE HE2 H 1 6.418 0.000 . 1 . . . . A 17 PHE HE2 . 34292 1 188 . 1 1 17 17 PHE HZ H 1 6.699 0.000 . 1 . . . . A 17 PHE HZ . 34292 1 189 . 1 1 17 17 PHE CA C 13 60.456 0.000 . 1 . . . . A 17 PHE CA . 34292 1 190 . 1 1 17 17 PHE CB C 13 38.825 0.007 . 1 . . . . A 17 PHE CB . 34292 1 191 . 1 1 17 17 PHE CD1 C 13 131.028 0.000 . 1 . . . . A 17 PHE CD1 . 34292 1 192 . 1 1 17 17 PHE CD2 C 13 131.028 0.000 . 1 . . . . A 17 PHE CD2 . 34292 1 193 . 1 1 17 17 PHE CE1 C 13 130.210 0.000 . 1 . . . . A 17 PHE CE1 . 34292 1 194 . 1 1 17 17 PHE CE2 C 13 130.210 0.000 . 1 . . . . A 17 PHE CE2 . 34292 1 195 . 1 1 17 17 PHE CZ C 13 128.147 0.000 . 1 . . . . A 17 PHE CZ . 34292 1 196 . 1 1 17 17 PHE N N 15 121.088 0.000 . 1 . . . . A 17 PHE N . 34292 1 197 . 1 1 18 18 LEU H H 1 8.121 0.000 . 1 . . . . A 18 LEU H . 34292 1 198 . 1 1 18 18 LEU HA H 1 3.597 0.000 . 1 . . . . A 18 LEU HA . 34292 1 199 . 1 1 18 18 LEU HB2 H 1 1.863 0.000 . 2 . . . . A 18 LEU HB2 . 34292 1 200 . 1 1 18 18 LEU HB3 H 1 1.432 0.000 . 2 . . . . A 18 LEU HB3 . 34292 1 201 . 1 1 18 18 LEU HG H 1 1.866 0.000 . 1 . . . . A 18 LEU HG . 34292 1 202 . 1 1 18 18 LEU HD11 H 1 1.002 0.000 . 2 . . . . A 18 LEU HD11 . 34292 1 203 . 1 1 18 18 LEU HD12 H 1 1.002 0.000 . 2 . . . . A 18 LEU HD12 . 34292 1 204 . 1 1 18 18 LEU HD13 H 1 1.002 0.000 . 2 . . . . A 18 LEU HD13 . 34292 1 205 . 1 1 18 18 LEU HD21 H 1 0.768 0.000 . 2 . . . . A 18 LEU HD21 . 34292 1 206 . 1 1 18 18 LEU HD22 H 1 0.768 0.000 . 2 . . . . A 18 LEU HD22 . 34292 1 207 . 1 1 18 18 LEU HD23 H 1 0.768 0.000 . 2 . . . . A 18 LEU HD23 . 34292 1 208 . 1 1 18 18 LEU CA C 13 58.072 0.000 . 1 . . . . A 18 LEU CA . 34292 1 209 . 1 1 18 18 LEU CB C 13 40.915 0.000 . 1 . . . . A 18 LEU CB . 34292 1 210 . 1 1 18 18 LEU CG C 13 26.678 0.000 . 1 . . . . A 18 LEU CG . 34292 1 211 . 1 1 18 18 LEU CD1 C 13 26.081 0.000 . 2 . . . . A 18 LEU CD1 . 34292 1 212 . 1 1 18 18 LEU CD2 C 13 23.233 0.000 . 2 . . . . A 18 LEU CD2 . 34292 1 213 . 1 1 18 18 LEU N N 15 120.700 0.000 . 1 . . . . A 18 LEU N . 34292 1 214 . 1 1 19 19 GLU H H 1 8.116 0.000 . 1 . . . . A 19 GLU H . 34292 1 215 . 1 1 19 19 GLU HA H 1 3.914 0.000 . 1 . . . . A 19 GLU HA . 34292 1 216 . 1 1 19 19 GLU HB2 H 1 2.059 0.000 . 1 . . . . A 19 GLU HB2 . 34292 1 217 . 1 1 19 19 GLU HB3 H 1 2.059 0.000 . 1 . . . . A 19 GLU HB3 . 34292 1 218 . 1 1 19 19 GLU HG2 H 1 2.352 0.000 . 2 . . . . A 19 GLU HG2 . 34292 1 219 . 1 1 19 19 GLU HG3 H 1 2.285 0.000 . 2 . . . . A 19 GLU HG3 . 34292 1 220 . 1 1 19 19 GLU CA C 13 59.369 0.000 . 1 . . . . A 19 GLU CA . 34292 1 221 . 1 1 19 19 GLU CB C 13 29.409 0.000 . 1 . . . . A 19 GLU CB . 34292 1 222 . 1 1 19 19 GLU CG C 13 36.138 0.007 . 1 . . . . A 19 GLU CG . 34292 1 223 . 1 1 19 19 GLU N N 15 118.358 0.000 . 1 . . . . A 19 GLU N . 34292 1 224 . 1 1 20 20 TYR H H 1 7.623 0.000 . 1 . . . . A 20 TYR H . 34292 1 225 . 1 1 20 20 TYR HA H 1 4.172 0.000 . 1 . . . . A 20 TYR HA . 34292 1 226 . 1 1 20 20 TYR HB2 H 1 3.274 0.000 . 2 . . . . A 20 TYR HB2 . 34292 1 227 . 1 1 20 20 TYR HB3 H 1 3.186 0.000 . 2 . . . . A 20 TYR HB3 . 34292 1 228 . 1 1 20 20 TYR HD1 H 1 7.135 0.000 . 1 . . . . A 20 TYR HD1 . 34292 1 229 . 1 1 20 20 TYR HD2 H 1 7.135 0.000 . 1 . . . . A 20 TYR HD2 . 34292 1 230 . 1 1 20 20 TYR HE1 H 1 6.734 0.000 . 1 . . . . A 20 TYR HE1 . 34292 1 231 . 1 1 20 20 TYR HE2 H 1 6.734 0.000 . 1 . . . . A 20 TYR HE2 . 34292 1 232 . 1 1 20 20 TYR CA C 13 61.357 0.000 . 1 . . . . A 20 TYR CA . 34292 1 233 . 1 1 20 20 TYR CB C 13 38.225 0.011 . 1 . . . . A 20 TYR CB . 34292 1 234 . 1 1 20 20 TYR CD1 C 13 133.934 0.000 . 1 . . . . A 20 TYR CD1 . 34292 1 235 . 1 1 20 20 TYR CD2 C 13 133.934 0.000 . 1 . . . . A 20 TYR CD2 . 34292 1 236 . 1 1 20 20 TYR CE1 C 13 118.131 0.000 . 1 . . . . A 20 TYR CE1 . 34292 1 237 . 1 1 20 20 TYR CE2 C 13 118.131 0.000 . 1 . . . . A 20 TYR CE2 . 34292 1 238 . 1 1 20 20 TYR N N 15 120.734 0.000 . 1 . . . . A 20 TYR N . 34292 1 239 . 1 1 21 21 CYS H H 1 7.937 0.000 . 1 . . . . A 21 CYS H . 34292 1 240 . 1 1 21 21 CYS HA H 1 3.494 0.000 . 1 . . . . A 21 CYS HA . 34292 1 241 . 1 1 21 21 CYS HB2 H 1 2.528 0.000 . 2 . . . . A 21 CYS HB2 . 34292 1 242 . 1 1 21 21 CYS HB3 H 1 2.122 0.000 . 2 . . . . A 21 CYS HB3 . 34292 1 243 . 1 1 21 21 CYS CA C 13 63.638 0.000 . 1 . . . . A 21 CYS CA . 34292 1 244 . 1 1 21 21 CYS CB C 13 26.796 0.004 . 1 . . . . A 21 CYS CB . 34292 1 245 . 1 1 21 21 CYS N N 15 116.282 0.000 . 1 . . . . A 21 CYS N . 34292 1 246 . 1 1 22 22 ALA H H 1 7.779 0.000 . 1 . . . . A 22 ALA H . 34292 1 247 . 1 1 22 22 ALA HA H 1 4.043 0.000 . 1 . . . . A 22 ALA HA . 34292 1 248 . 1 1 22 22 ALA HB1 H 1 1.467 0.000 . 1 . . . . A 22 ALA HB1 . 34292 1 249 . 1 1 22 22 ALA HB2 H 1 1.467 0.000 . 1 . . . . A 22 ALA HB2 . 34292 1 250 . 1 1 22 22 ALA HB3 H 1 1.467 0.000 . 1 . . . . A 22 ALA HB3 . 34292 1 251 . 1 1 22 22 ALA CA C 13 53.857 0.000 . 1 . . . . A 22 ALA CA . 34292 1 252 . 1 1 22 22 ALA CB C 13 18.218 0.000 . 1 . . . . A 22 ALA CB . 34292 1 253 . 1 1 22 22 ALA N N 15 121.254 0.000 . 1 . . . . A 22 ALA N . 34292 1 254 . 1 1 23 23 LYS H H 1 7.034 0.000 . 1 . . . . A 23 LYS H . 34292 1 255 . 1 1 23 23 LYS HA H 1 4.221 0.000 . 1 . . . . A 23 LYS HA . 34292 1 256 . 1 1 23 23 LYS HB2 H 1 1.914 0.000 . 2 . . . . A 23 LYS HB2 . 34292 1 257 . 1 1 23 23 LYS HB3 H 1 1.664 0.000 . 2 . . . . A 23 LYS HB3 . 34292 1 258 . 1 1 23 23 LYS HG2 H 1 1.442 0.000 . 2 . . . . A 23 LYS HG2 . 34292 1 259 . 1 1 23 23 LYS HG3 H 1 1.394 0.000 . 2 . . . . A 23 LYS HG3 . 34292 1 260 . 1 1 23 23 LYS HD2 H 1 2.042 0.000 . 1 . . . . A 23 LYS HD2 . 34292 1 261 . 1 1 23 23 LYS HD3 H 1 2.042 0.000 . 1 . . . . A 23 LYS HD3 . 34292 1 262 . 1 1 23 23 LYS HE2 H 1 2.947 0.000 . 1 . . . . A 23 LYS HE2 . 34292 1 263 . 1 1 23 23 LYS HE3 H 1 2.947 0.000 . 1 . . . . A 23 LYS HE3 . 34292 1 264 . 1 1 23 23 LYS CA C 13 56.172 0.000 . 1 . . . . A 23 LYS CA . 34292 1 265 . 1 1 23 23 LYS CB C 13 31.648 0.014 . 1 . . . . A 23 LYS CB . 34292 1 266 . 1 1 23 23 LYS CG C 13 24.910 0.001 . 1 . . . . A 23 LYS CG . 34292 1 267 . 1 1 23 23 LYS CD C 13 30.300 0.000 . 1 . . . . A 23 LYS CD . 34292 1 268 . 1 1 23 23 LYS CE C 13 42.097 0.000 . 1 . . . . A 23 LYS CE . 34292 1 269 . 1 1 23 23 LYS N N 15 114.667 0.000 . 1 . . . . A 23 LYS N . 34292 1 270 . 1 1 24 24 ASN H H 1 7.927 0.000 . 1 . . . . A 24 ASN H . 34292 1 271 . 1 1 24 24 ASN HA H 1 5.158 0.000 . 1 . . . . A 24 ASN HA . 34292 1 272 . 1 1 24 24 ASN HB2 H 1 3.011 0.000 . 2 . . . . A 24 ASN HB2 . 34292 1 273 . 1 1 24 24 ASN HB3 H 1 2.619 0.000 . 2 . . . . A 24 ASN HB3 . 34292 1 274 . 1 1 24 24 ASN CA C 13 53.540 0.000 . 1 . . . . A 24 ASN CA . 34292 1 275 . 1 1 24 24 ASN CB C 13 37.538 0.004 . 1 . . . . A 24 ASN CB . 34292 1 276 . 1 1 24 24 ASN N N 15 115.442 0.000 . 1 . . . . A 24 ASN N . 34292 1 277 . 1 1 25 25 PRO HA H 1 4.511 0.000 . 1 . . . . A 25 PRO HA . 34292 1 278 . 1 1 25 25 PRO HB2 H 1 2.148 0.000 . 2 . . . . A 25 PRO HB2 . 34292 1 279 . 1 1 25 25 PRO HB3 H 1 1.752 0.000 . 2 . . . . A 25 PRO HB3 . 34292 1 280 . 1 1 25 25 PRO HG2 H 1 1.491 0.000 . 2 . . . . A 25 PRO HG2 . 34292 1 281 . 1 1 25 25 PRO HG3 H 1 1.707 0.000 . 2 . . . . A 25 PRO HG3 . 34292 1 282 . 1 1 25 25 PRO HD2 H 1 3.232 0.000 . 2 . . . . A 25 PRO HD2 . 34292 1 283 . 1 1 25 25 PRO HD3 H 1 3.776 0.000 . 2 . . . . A 25 PRO HD3 . 34292 1 284 . 1 1 25 25 PRO CA C 13 62.929 0.000 . 1 . . . . A 25 PRO CA . 34292 1 285 . 1 1 25 25 PRO CB C 13 33.139 0.079 . 1 . . . . A 25 PRO CB . 34292 1 286 . 1 1 25 25 PRO CG C 13 27.840 0.031 . 1 . . . . A 25 PRO CG . 34292 1 287 . 1 1 25 25 PRO CD C 13 51.058 0.010 . 1 . . . . A 25 PRO CD . 34292 1 288 . 1 1 26 26 SER H H 1 8.470 0.000 . 1 . . . . A 26 SER H . 34292 1 289 . 1 1 26 26 SER HA H 1 4.789 0.000 . 1 . . . . A 26 SER HA . 34292 1 290 . 1 1 26 26 SER HB2 H 1 4.105 0.000 . 2 . . . . A 26 SER HB2 . 34292 1 291 . 1 1 26 26 SER HB3 H 1 4.430 0.000 . 2 . . . . A 26 SER HB3 . 34292 1 292 . 1 1 26 26 SER CA C 13 58.012 0.000 . 1 . . . . A 26 SER CA . 34292 1 293 . 1 1 26 26 SER CB C 13 64.201 0.013 . 1 . . . . A 26 SER CB . 34292 1 294 . 1 1 26 26 SER N N 15 112.673 0.000 . 1 . . . . A 26 SER N . 34292 1 295 . 1 1 27 27 TYR H H 1 9.120 0.000 . 1 . . . . A 27 TYR H . 34292 1 296 . 1 1 27 27 TYR HA H 1 3.871 0.000 . 1 . . . . A 27 TYR HA . 34292 1 297 . 1 1 27 27 TYR HB2 H 1 2.902 0.000 . 2 . . . . A 27 TYR HB2 . 34292 1 298 . 1 1 27 27 TYR HB3 H 1 2.637 0.000 . 2 . . . . A 27 TYR HB3 . 34292 1 299 . 1 1 27 27 TYR HD1 H 1 6.806 0.000 . 1 . . . . A 27 TYR HD1 . 34292 1 300 . 1 1 27 27 TYR HD2 H 1 6.806 0.000 . 1 . . . . A 27 TYR HD2 . 34292 1 301 . 1 1 27 27 TYR HE1 H 1 6.623 0.000 . 1 . . . . A 27 TYR HE1 . 34292 1 302 . 1 1 27 27 TYR HE2 H 1 6.623 0.000 . 1 . . . . A 27 TYR HE2 . 34292 1 303 . 1 1 27 27 TYR CA C 13 62.617 0.000 . 1 . . . . A 27 TYR CA . 34292 1 304 . 1 1 27 27 TYR CB C 13 38.678 0.010 . 1 . . . . A 27 TYR CB . 34292 1 305 . 1 1 27 27 TYR CD1 C 13 132.851 0.000 . 1 . . . . A 27 TYR CD1 . 34292 1 306 . 1 1 27 27 TYR CD2 C 13 132.851 0.000 . 1 . . . . A 27 TYR CD2 . 34292 1 307 . 1 1 27 27 TYR CE1 C 13 118.281 0.000 . 1 . . . . A 27 TYR CE1 . 34292 1 308 . 1 1 27 27 TYR CE2 C 13 118.281 0.000 . 1 . . . . A 27 TYR CE2 . 34292 1 309 . 1 1 27 27 TYR N N 15 126.207 0.000 . 1 . . . . A 27 TYR N . 34292 1 310 . 1 1 28 28 GLU H H 1 8.967 0.000 . 1 . . . . A 28 GLU H . 34292 1 311 . 1 1 28 28 GLU HA H 1 3.982 0.000 . 1 . . . . A 28 GLU HA . 34292 1 312 . 1 1 28 28 GLU HB2 H 1 2.150 0.000 . 2 . . . . A 28 GLU HB2 . 34292 1 313 . 1 1 28 28 GLU HB3 H 1 2.059 0.000 . 2 . . . . A 28 GLU HB3 . 34292 1 314 . 1 1 28 28 GLU HG2 H 1 2.515 0.000 . 2 . . . . A 28 GLU HG2 . 34292 1 315 . 1 1 28 28 GLU HG3 H 1 2.427 0.000 . 2 . . . . A 28 GLU HG3 . 34292 1 316 . 1 1 28 28 GLU CA C 13 60.632 0.000 . 1 . . . . A 28 GLU CA . 34292 1 317 . 1 1 28 28 GLU CB C 13 29.273 0.030 . 1 . . . . A 28 GLU CB . 34292 1 318 . 1 1 28 28 GLU CG C 13 37.390 0.004 . 1 . . . . A 28 GLU CG . 34292 1 319 . 1 1 28 28 GLU N N 15 116.909 0.000 . 1 . . . . A 28 GLU N . 34292 1 320 . 1 1 29 29 GLU H H 1 7.804 0.000 . 1 . . . . A 29 GLU H . 34292 1 321 . 1 1 29 29 GLU HA H 1 4.060 0.000 . 1 . . . . A 29 GLU HA . 34292 1 322 . 1 1 29 29 GLU HB2 H 1 2.177 0.000 . 1 . . . . A 29 GLU HB2 . 34292 1 323 . 1 1 29 29 GLU HB3 H 1 2.177 0.000 . 1 . . . . A 29 GLU HB3 . 34292 1 324 . 1 1 29 29 GLU HG2 H 1 2.074 0.000 . 2 . . . . A 29 GLU HG2 . 34292 1 325 . 1 1 29 29 GLU HG3 H 1 2.330 0.000 . 2 . . . . A 29 GLU HG3 . 34292 1 326 . 1 1 29 29 GLU CA C 13 59.279 0.000 . 1 . . . . A 29 GLU CA . 34292 1 327 . 1 1 29 29 GLU CB C 13 29.702 0.000 . 1 . . . . A 29 GLU CB . 34292 1 328 . 1 1 29 29 GLU CG C 13 35.802 0.022 . 1 . . . . A 29 GLU CG . 34292 1 329 . 1 1 29 29 GLU N N 15 119.327 0.000 . 1 . . . . A 29 GLU N . 34292 1 330 . 1 1 30 30 ALA H H 1 8.438 0.000 . 1 . . . . A 30 ALA H . 34292 1 331 . 1 1 30 30 ALA HA H 1 4.470 0.000 . 1 . . . . A 30 ALA HA . 34292 1 332 . 1 1 30 30 ALA HB1 H 1 1.614 0.000 . 1 . . . . A 30 ALA HB1 . 34292 1 333 . 1 1 30 30 ALA HB2 H 1 1.614 0.000 . 1 . . . . A 30 ALA HB2 . 34292 1 334 . 1 1 30 30 ALA HB3 H 1 1.614 0.000 . 1 . . . . A 30 ALA HB3 . 34292 1 335 . 1 1 30 30 ALA CA C 13 55.190 0.000 . 1 . . . . A 30 ALA CA . 34292 1 336 . 1 1 30 30 ALA CB C 13 19.101 0.000 . 1 . . . . A 30 ALA CB . 34292 1 337 . 1 1 30 30 ALA N N 15 122.658 0.000 . 1 . . . . A 30 ALA N . 34292 1 338 . 1 1 31 31 TYR H H 1 9.085 0.000 . 1 . . . . A 31 TYR H . 34292 1 339 . 1 1 31 31 TYR HA H 1 3.989 0.000 . 1 . . . . A 31 TYR HA . 34292 1 340 . 1 1 31 31 TYR HB2 H 1 2.816 0.000 . 2 . . . . A 31 TYR HB2 . 34292 1 341 . 1 1 31 31 TYR HB3 H 1 2.628 0.000 . 2 . . . . A 31 TYR HB3 . 34292 1 342 . 1 1 31 31 TYR HD1 H 1 7.057 0.000 . 1 . . . . A 31 TYR HD1 . 34292 1 343 . 1 1 31 31 TYR HD2 H 1 7.057 0.000 . 1 . . . . A 31 TYR HD2 . 34292 1 344 . 1 1 31 31 TYR HE1 H 1 6.813 0.000 . 1 . . . . A 31 TYR HE1 . 34292 1 345 . 1 1 31 31 TYR HE2 H 1 6.813 0.000 . 1 . . . . A 31 TYR HE2 . 34292 1 346 . 1 1 31 31 TYR CA C 13 61.147 0.000 . 1 . . . . A 31 TYR CA . 34292 1 347 . 1 1 31 31 TYR CB C 13 37.882 0.001 . 1 . . . . A 31 TYR CB . 34292 1 348 . 1 1 31 31 TYR CD1 C 13 133.230 0.000 . 1 . . . . A 31 TYR CD1 . 34292 1 349 . 1 1 31 31 TYR CD2 C 13 133.230 0.000 . 1 . . . . A 31 TYR CD2 . 34292 1 350 . 1 1 31 31 TYR CE1 C 13 118.215 0.000 . 1 . . . . A 31 TYR CE1 . 34292 1 351 . 1 1 31 31 TYR CE2 C 13 118.215 0.000 . 1 . . . . A 31 TYR CE2 . 34292 1 352 . 1 1 31 31 TYR N N 15 120.463 0.000 . 1 . . . . A 31 TYR N . 34292 1 353 . 1 1 32 32 LEU H H 1 7.848 0.000 . 1 . . . . A 32 LEU H . 34292 1 354 . 1 1 32 32 LEU HA H 1 3.908 0.000 . 1 . . . . A 32 LEU HA . 34292 1 355 . 1 1 32 32 LEU HB2 H 1 1.857 0.000 . 2 . . . . A 32 LEU HB2 . 34292 1 356 . 1 1 32 32 LEU HB3 H 1 1.619 0.000 . 2 . . . . A 32 LEU HB3 . 34292 1 357 . 1 1 32 32 LEU HG H 1 1.802 0.000 . 1 . . . . A 32 LEU HG . 34292 1 358 . 1 1 32 32 LEU HD11 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD11 . 34292 1 359 . 1 1 32 32 LEU HD12 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD12 . 34292 1 360 . 1 1 32 32 LEU HD13 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD13 . 34292 1 361 . 1 1 32 32 LEU HD21 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD21 . 34292 1 362 . 1 1 32 32 LEU HD22 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD22 . 34292 1 363 . 1 1 32 32 LEU HD23 H 1 0.951 0.000 . 1 . . . . A 32 LEU HD23 . 34292 1 364 . 1 1 32 32 LEU CA C 13 57.795 0.000 . 1 . . . . A 32 LEU CA . 34292 1 365 . 1 1 32 32 LEU CB C 13 41.922 0.025 . 1 . . . . A 32 LEU CB . 34292 1 366 . 1 1 32 32 LEU CG C 13 27.302 0.000 . 1 . . . . A 32 LEU CG . 34292 1 367 . 1 1 32 32 LEU CD1 C 13 24.346 0.000 . 1 . . . . A 32 LEU CD1 . 34292 1 368 . 1 1 32 32 LEU CD2 C 13 24.346 0.000 . 1 . . . . A 32 LEU CD2 . 34292 1 369 . 1 1 32 32 LEU N N 15 121.162 0.000 . 1 . . . . A 32 LEU N . 34292 1 370 . 1 1 33 33 LYS H H 1 7.469 0.000 . 1 . . . . A 33 LYS H . 34292 1 371 . 1 1 33 33 LYS HA H 1 3.840 0.000 . 1 . . . . A 33 LYS HA . 34292 1 372 . 1 1 33 33 LYS HB2 H 1 1.435 0.000 . 2 . . . . A 33 LYS HB2 . 34292 1 373 . 1 1 33 33 LYS HB3 H 1 1.113 0.000 . 2 . . . . A 33 LYS HB3 . 34292 1 374 . 1 1 33 33 LYS HG2 H 1 0.880 0.000 . 2 . . . . A 33 LYS HG2 . 34292 1 375 . 1 1 33 33 LYS HG3 H 1 0.233 0.000 . 2 . . . . A 33 LYS HG3 . 34292 1 376 . 1 1 33 33 LYS HD2 H 1 1.236 0.000 . 2 . . . . A 33 LYS HD2 . 34292 1 377 . 1 1 33 33 LYS HD3 H 1 0.947 0.000 . 2 . . . . A 33 LYS HD3 . 34292 1 378 . 1 1 33 33 LYS HE2 H 1 2.680 0.000 . 2 . . . . A 33 LYS HE2 . 34292 1 379 . 1 1 33 33 LYS HE3 H 1 2.502 0.000 . 2 . . . . A 33 LYS HE3 . 34292 1 380 . 1 1 33 33 LYS CA C 13 58.679 0.000 . 1 . . . . A 33 LYS CA . 34292 1 381 . 1 1 33 33 LYS CB C 13 33.955 0.011 . 1 . . . . A 33 LYS CB . 34292 1 382 . 1 1 33 33 LYS CG C 13 24.780 0.006 . 1 . . . . A 33 LYS CG . 34292 1 383 . 1 1 33 33 LYS CD C 13 28.784 0.007 . 1 . . . . A 33 LYS CD . 34292 1 384 . 1 1 33 33 LYS CE C 13 41.640 0.054 . 1 . . . . A 33 LYS CE . 34292 1 385 . 1 1 33 33 LYS N N 15 116.573 0.000 . 1 . . . . A 33 LYS N . 34292 1 386 . 1 1 34 34 PHE H H 1 8.444 0.000 . 1 . . . . A 34 PHE H . 34292 1 387 . 1 1 34 34 PHE HA H 1 4.594 0.000 . 1 . . . . A 34 PHE HA . 34292 1 388 . 1 1 34 34 PHE HB2 H 1 2.948 0.000 . 2 . . . . A 34 PHE HB2 . 34292 1 389 . 1 1 34 34 PHE HB3 H 1 2.563 0.000 . 2 . . . . A 34 PHE HB3 . 34292 1 390 . 1 1 34 34 PHE HD1 H 1 7.193 0.000 . 1 . . . . A 34 PHE HD1 . 34292 1 391 . 1 1 34 34 PHE HD2 H 1 7.193 0.000 . 1 . . . . A 34 PHE HD2 . 34292 1 392 . 1 1 34 34 PHE HE1 H 1 6.767 0.000 . 1 . . . . A 34 PHE HE1 . 34292 1 393 . 1 1 34 34 PHE HE2 H 1 6.767 0.000 . 1 . . . . A 34 PHE HE2 . 34292 1 394 . 1 1 34 34 PHE HZ H 1 6.977 0.000 . 1 . . . . A 34 PHE HZ . 34292 1 395 . 1 1 34 34 PHE CA C 13 58.630 0.000 . 1 . . . . A 34 PHE CA . 34292 1 396 . 1 1 34 34 PHE CB C 13 41.383 0.030 . 1 . . . . A 34 PHE CB . 34292 1 397 . 1 1 34 34 PHE CD1 C 13 132.050 0.000 . 1 . . . . A 34 PHE CD1 . 34292 1 398 . 1 1 34 34 PHE CD2 C 13 132.050 0.000 . 1 . . . . A 34 PHE CD2 . 34292 1 399 . 1 1 34 34 PHE CE1 C 13 131.729 0.000 . 1 . . . . A 34 PHE CE1 . 34292 1 400 . 1 1 34 34 PHE CE2 C 13 131.729 0.000 . 1 . . . . A 34 PHE CE2 . 34292 1 401 . 1 1 34 34 PHE CZ C 13 129.266 0.000 . 1 . . . . A 34 PHE CZ . 34292 1 402 . 1 1 34 34 PHE N N 15 113.880 0.000 . 1 . . . . A 34 PHE N . 34292 1 403 . 1 1 35 35 GLY H H 1 8.334 0.000 . 1 . . . . A 35 GLY H . 34292 1 404 . 1 1 35 35 GLY HA2 H 1 3.639 0.000 . 2 . . . . A 35 GLY HA2 . 34292 1 405 . 1 1 35 35 GLY HA3 H 1 3.037 0.000 . 2 . . . . A 35 GLY HA3 . 34292 1 406 . 1 1 35 35 GLY CA C 13 46.919 0.002 . 1 . . . . A 35 GLY CA . 34292 1 407 . 1 1 35 35 GLY N N 15 112.089 0.000 . 1 . . . . A 35 GLY N . 34292 1 408 . 1 1 36 36 ASP H H 1 8.797 0.000 . 1 . . . . A 36 ASP H . 34292 1 409 . 1 1 36 36 ASP HA H 1 4.502 0.000 . 1 . . . . A 36 ASP HA . 34292 1 410 . 1 1 36 36 ASP HB2 H 1 2.865 0.000 . 2 . . . . A 36 ASP HB2 . 34292 1 411 . 1 1 36 36 ASP HB3 H 1 2.698 0.000 . 2 . . . . A 36 ASP HB3 . 34292 1 412 . 1 1 36 36 ASP CA C 13 57.070 0.000 . 1 . . . . A 36 ASP CA . 34292 1 413 . 1 1 36 36 ASP CB C 13 40.315 0.007 . 1 . . . . A 36 ASP CB . 34292 1 414 . 1 1 36 36 ASP N N 15 124.385 0.000 . 1 . . . . A 36 ASP N . 34292 1 415 . 1 1 37 37 LYS H H 1 7.779 0.000 . 1 . . . . A 37 LYS H . 34292 1 416 . 1 1 37 37 LYS HA H 1 4.060 0.000 . 1 . . . . A 37 LYS HA . 34292 1 417 . 1 1 37 37 LYS HB2 H 1 1.679 0.000 . 2 . . . . A 37 LYS HB2 . 34292 1 418 . 1 1 37 37 LYS HB3 H 1 1.260 0.000 . 2 . . . . A 37 LYS HB3 . 34292 1 419 . 1 1 37 37 LYS HG2 H 1 1.289 0.000 . 2 . . . . A 37 LYS HG2 . 34292 1 420 . 1 1 37 37 LYS HG3 H 1 0.913 0.000 . 2 . . . . A 37 LYS HG3 . 34292 1 421 . 1 1 37 37 LYS HD2 H 1 1.337 0.000 . 1 . . . . A 37 LYS HD2 . 34292 1 422 . 1 1 37 37 LYS HD3 H 1 1.337 0.000 . 1 . . . . A 37 LYS HD3 . 34292 1 423 . 1 1 37 37 LYS HE2 H 1 2.799 0.000 . 2 . . . . A 37 LYS HE2 . 34292 1 424 . 1 1 37 37 LYS HE3 H 1 2.752 0.000 . 2 . . . . A 37 LYS HE3 . 34292 1 425 . 1 1 37 37 LYS CA C 13 58.967 0.000 . 1 . . . . A 37 LYS CA . 34292 1 426 . 1 1 37 37 LYS CB C 13 32.431 0.005 . 1 . . . . A 37 LYS CB . 34292 1 427 . 1 1 37 37 LYS CG C 13 24.880 0.066 . 1 . . . . A 37 LYS CG . 34292 1 428 . 1 1 37 37 LYS CD C 13 28.950 0.000 . 1 . . . . A 37 LYS CD . 34292 1 429 . 1 1 37 37 LYS CE C 13 41.550 0.003 . 1 . . . . A 37 LYS CE . 34292 1 430 . 1 1 37 37 LYS N N 15 121.254 0.000 . 1 . . . . A 37 LYS N . 34292 1 431 . 1 1 38 38 LEU H H 1 7.606 0.000 . 1 . . . . A 38 LEU H . 34292 1 432 . 1 1 38 38 LEU HA H 1 3.987 0.000 . 1 . . . . A 38 LEU HA . 34292 1 433 . 1 1 38 38 LEU HB2 H 1 2.060 0.000 . 2 . . . . A 38 LEU HB2 . 34292 1 434 . 1 1 38 38 LEU HB3 H 1 1.615 0.000 . 2 . . . . A 38 LEU HB3 . 34292 1 435 . 1 1 38 38 LEU HG H 1 1.706 0.000 . 1 . . . . A 38 LEU HG . 34292 1 436 . 1 1 38 38 LEU HD11 H 1 0.942 0.000 . 2 . . . . A 38 LEU HD11 . 34292 1 437 . 1 1 38 38 LEU HD12 H 1 0.942 0.000 . 2 . . . . A 38 LEU HD12 . 34292 1 438 . 1 1 38 38 LEU HD13 H 1 0.942 0.000 . 2 . . . . A 38 LEU HD13 . 34292 1 439 . 1 1 38 38 LEU HD21 H 1 0.699 0.000 . 2 . . . . A 38 LEU HD21 . 34292 1 440 . 1 1 38 38 LEU HD22 H 1 0.699 0.000 . 2 . . . . A 38 LEU HD22 . 34292 1 441 . 1 1 38 38 LEU HD23 H 1 0.699 0.000 . 2 . . . . A 38 LEU HD23 . 34292 1 442 . 1 1 38 38 LEU CA C 13 58.559 0.000 . 1 . . . . A 38 LEU CA . 34292 1 443 . 1 1 38 38 LEU CB C 13 42.710 0.005 . 1 . . . . A 38 LEU CB . 34292 1 444 . 1 1 38 38 LEU CG C 13 27.763 0.000 . 1 . . . . A 38 LEU CG . 34292 1 445 . 1 1 38 38 LEU CD1 C 13 25.588 0.000 . 2 . . . . A 38 LEU CD1 . 34292 1 446 . 1 1 38 38 LEU CD2 C 13 25.992 0.000 . 2 . . . . A 38 LEU CD2 . 34292 1 447 . 1 1 38 38 LEU N N 15 117.789 0.000 . 1 . . . . A 38 LEU N . 34292 1 448 . 1 1 39 39 LEU H H 1 7.159 0.000 . 1 . . . . A 39 LEU H . 34292 1 449 . 1 1 39 39 LEU HA H 1 4.304 0.000 . 1 . . . . A 39 LEU HA . 34292 1 450 . 1 1 39 39 LEU HB2 H 1 1.956 0.000 . 2 . . . . A 39 LEU HB2 . 34292 1 451 . 1 1 39 39 LEU HB3 H 1 1.771 0.000 . 2 . . . . A 39 LEU HB3 . 34292 1 452 . 1 1 39 39 LEU HG H 1 1.838 0.000 . 1 . . . . A 39 LEU HG . 34292 1 453 . 1 1 39 39 LEU HD11 H 1 1.076 0.000 . 2 . . . . A 39 LEU HD11 . 34292 1 454 . 1 1 39 39 LEU HD12 H 1 1.076 0.000 . 2 . . . . A 39 LEU HD12 . 34292 1 455 . 1 1 39 39 LEU HD13 H 1 1.076 0.000 . 2 . . . . A 39 LEU HD13 . 34292 1 456 . 1 1 39 39 LEU HD21 H 1 0.974 0.000 . 2 . . . . A 39 LEU HD21 . 34292 1 457 . 1 1 39 39 LEU HD22 H 1 0.974 0.000 . 2 . . . . A 39 LEU HD22 . 34292 1 458 . 1 1 39 39 LEU HD23 H 1 0.974 0.000 . 2 . . . . A 39 LEU HD23 . 34292 1 459 . 1 1 39 39 LEU CA C 13 57.708 0.000 . 1 . . . . A 39 LEU CA . 34292 1 460 . 1 1 39 39 LEU CB C 13 41.154 0.005 . 1 . . . . A 39 LEU CB . 34292 1 461 . 1 1 39 39 LEU CG C 13 28.002 0.000 . 1 . . . . A 39 LEU CG . 34292 1 462 . 1 1 39 39 LEU CD1 C 13 25.029 0.000 . 2 . . . . A 39 LEU CD1 . 34292 1 463 . 1 1 39 39 LEU CD2 C 13 23.968 0.000 . 2 . . . . A 39 LEU CD2 . 34292 1 464 . 1 1 39 39 LEU N N 15 117.619 0.000 . 1 . . . . A 39 LEU N . 34292 1 465 . 1 1 40 40 GLU H H 1 7.908 0.000 . 1 . . . . A 40 GLU H . 34292 1 466 . 1 1 40 40 GLU HA H 1 4.021 0.000 . 1 . . . . A 40 GLU HA . 34292 1 467 . 1 1 40 40 GLU HB2 H 1 2.195 0.000 . 2 . . . . A 40 GLU HB2 . 34292 1 468 . 1 1 40 40 GLU HB3 H 1 2.101 0.000 . 2 . . . . A 40 GLU HB3 . 34292 1 469 . 1 1 40 40 GLU HG2 H 1 2.419 0.000 . 1 . . . . A 40 GLU HG2 . 34292 1 470 . 1 1 40 40 GLU HG3 H 1 2.419 0.000 . 1 . . . . A 40 GLU HG3 . 34292 1 471 . 1 1 40 40 GLU CA C 13 59.580 0.000 . 1 . . . . A 40 GLU CA . 34292 1 472 . 1 1 40 40 GLU CB C 13 29.413 0.005 . 1 . . . . A 40 GLU CB . 34292 1 473 . 1 1 40 40 GLU CG C 13 37.002 0.000 . 1 . . . . A 40 GLU CG . 34292 1 474 . 1 1 40 40 GLU N N 15 119.748 0.000 . 1 . . . . A 40 GLU N . 34292 1 475 . 1 1 41 41 TYR H H 1 8.366 0.000 . 1 . . . . A 41 TYR H . 34292 1 476 . 1 1 41 41 TYR HA H 1 4.176 0.000 . 1 . . . . A 41 TYR HA . 34292 1 477 . 1 1 41 41 TYR HB2 H 1 2.817 0.000 . 2 . . . . A 41 TYR HB2 . 34292 1 478 . 1 1 41 41 TYR HB3 H 1 3.208 0.000 . 2 . . . . A 41 TYR HB3 . 34292 1 479 . 1 1 41 41 TYR HD1 H 1 6.916 0.000 . 1 . . . . A 41 TYR HD1 . 34292 1 480 . 1 1 41 41 TYR HD2 H 1 6.916 0.000 . 1 . . . . A 41 TYR HD2 . 34292 1 481 . 1 1 41 41 TYR HE1 H 1 6.618 0.000 . 1 . . . . A 41 TYR HE1 . 34292 1 482 . 1 1 41 41 TYR HE2 H 1 6.618 0.000 . 1 . . . . A 41 TYR HE2 . 34292 1 483 . 1 1 41 41 TYR CA C 13 62.020 0.000 . 1 . . . . A 41 TYR CA . 34292 1 484 . 1 1 41 41 TYR CB C 13 38.120 0.012 . 1 . . . . A 41 TYR CB . 34292 1 485 . 1 1 41 41 TYR CD1 C 13 132.512 0.000 . 1 . . . . A 41 TYR CD1 . 34292 1 486 . 1 1 41 41 TYR CD2 C 13 132.512 0.000 . 1 . . . . A 41 TYR CD2 . 34292 1 487 . 1 1 41 41 TYR CE1 C 13 118.125 0.000 . 1 . . . . A 41 TYR CE1 . 34292 1 488 . 1 1 41 41 TYR CE2 C 13 118.125 0.000 . 1 . . . . A 41 TYR CE2 . 34292 1 489 . 1 1 41 41 TYR N N 15 117.674 0.000 . 1 . . . . A 41 TYR N . 34292 1 490 . 1 1 42 42 GLU H H 1 8.362 0.000 . 1 . . . . A 42 GLU H . 34292 1 491 . 1 1 42 42 GLU HA H 1 4.399 0.000 . 1 . . . . A 42 GLU HA . 34292 1 492 . 1 1 42 42 GLU HB2 H 1 2.208 0.000 . 2 . . . . A 42 GLU HB2 . 34292 1 493 . 1 1 42 42 GLU HB3 H 1 2.356 0.000 . 2 . . . . A 42 GLU HB3 . 34292 1 494 . 1 1 42 42 GLU HG2 H 1 2.508 0.000 . 2 . . . . A 42 GLU HG2 . 34292 1 495 . 1 1 42 42 GLU HG3 H 1 2.225 0.000 . 2 . . . . A 42 GLU HG3 . 34292 1 496 . 1 1 42 42 GLU CA C 13 59.876 0.000 . 1 . . . . A 42 GLU CA . 34292 1 497 . 1 1 42 42 GLU CB C 13 30.258 0.027 . 1 . . . . A 42 GLU CB . 34292 1 498 . 1 1 42 42 GLU CG C 13 36.948 0.008 . 1 . . . . A 42 GLU CG . 34292 1 499 . 1 1 42 42 GLU N N 15 123.092 0.000 . 1 . . . . A 42 GLU N . 34292 1 500 . 1 1 43 43 LEU H H 1 8.491 0.000 . 1 . . . . A 43 LEU H . 34292 1 501 . 1 1 43 43 LEU HA H 1 4.179 0.000 . 1 . . . . A 43 LEU HA . 34292 1 502 . 1 1 43 43 LEU HB2 H 1 1.956 0.000 . 2 . . . . A 43 LEU HB2 . 34292 1 503 . 1 1 43 43 LEU HB3 H 1 1.709 0.000 . 2 . . . . A 43 LEU HB3 . 34292 1 504 . 1 1 43 43 LEU HG H 1 1.797 0.000 . 1 . . . . A 43 LEU HG . 34292 1 505 . 1 1 43 43 LEU HD11 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD11 . 34292 1 506 . 1 1 43 43 LEU HD12 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD12 . 34292 1 507 . 1 1 43 43 LEU HD13 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD13 . 34292 1 508 . 1 1 43 43 LEU HD21 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD21 . 34292 1 509 . 1 1 43 43 LEU HD22 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD22 . 34292 1 510 . 1 1 43 43 LEU HD23 H 1 0.918 0.000 . 1 . . . . A 43 LEU HD23 . 34292 1 511 . 1 1 43 43 LEU CA C 13 58.339 0.000 . 1 . . . . A 43 LEU CA . 34292 1 512 . 1 1 43 43 LEU CB C 13 41.656 0.010 . 1 . . . . A 43 LEU CB . 34292 1 513 . 1 1 43 43 LEU CG C 13 27.098 0.000 . 1 . . . . A 43 LEU CG . 34292 1 514 . 1 1 43 43 LEU CD1 C 13 23.962 0.000 . 1 . . . . A 43 LEU CD1 . 34292 1 515 . 1 1 43 43 LEU CD2 C 13 23.962 0.000 . 1 . . . . A 43 LEU CD2 . 34292 1 516 . 1 1 43 43 LEU N N 15 124.056 0.000 . 1 . . . . A 43 LEU N . 34292 1 517 . 1 1 44 44 LEU H H 1 7.762 0.000 . 1 . . . . A 44 LEU H . 34292 1 518 . 1 1 44 44 LEU HA H 1 4.289 0.000 . 1 . . . . A 44 LEU HA . 34292 1 519 . 1 1 44 44 LEU HB2 H 1 1.854 0.000 . 2 . . . . A 44 LEU HB2 . 34292 1 520 . 1 1 44 44 LEU HB3 H 1 1.609 0.000 . 2 . . . . A 44 LEU HB3 . 34292 1 521 . 1 1 44 44 LEU HG H 1 1.674 0.000 . 1 . . . . A 44 LEU HG . 34292 1 522 . 1 1 44 44 LEU HD11 H 1 0.849 0.000 . 2 . . . . A 44 LEU HD11 . 34292 1 523 . 1 1 44 44 LEU HD12 H 1 0.849 0.000 . 2 . . . . A 44 LEU HD12 . 34292 1 524 . 1 1 44 44 LEU HD13 H 1 0.849 0.000 . 2 . . . . A 44 LEU HD13 . 34292 1 525 . 1 1 44 44 LEU HD21 H 1 0.693 0.000 . 2 . . . . A 44 LEU HD21 . 34292 1 526 . 1 1 44 44 LEU HD22 H 1 0.693 0.000 . 2 . . . . A 44 LEU HD22 . 34292 1 527 . 1 1 44 44 LEU HD23 H 1 0.693 0.000 . 2 . . . . A 44 LEU HD23 . 34292 1 528 . 1 1 44 44 LEU CA C 13 55.398 0.000 . 1 . . . . A 44 LEU CA . 34292 1 529 . 1 1 44 44 LEU CB C 13 41.651 0.020 . 1 . . . . A 44 LEU CB . 34292 1 530 . 1 1 44 44 LEU CG C 13 29.115 0.000 . 1 . . . . A 44 LEU CG . 34292 1 531 . 1 1 44 44 LEU CD1 C 13 22.284 0.000 . 2 . . . . A 44 LEU CD1 . 34292 1 532 . 1 1 44 44 LEU CD2 C 13 25.554 0.000 . 2 . . . . A 44 LEU CD2 . 34292 1 533 . 1 1 44 44 LEU N N 15 116.001 0.000 . 1 . . . . A 44 LEU N . 34292 1 534 . 1 1 45 45 GLY H H 1 7.992 0.000 . 1 . . . . A 45 GLY H . 34292 1 535 . 1 1 45 45 GLY HA2 H 1 4.148 0.000 . 2 . . . . A 45 GLY HA2 . 34292 1 536 . 1 1 45 45 GLY HA3 H 1 3.991 0.000 . 2 . . . . A 45 GLY HA3 . 34292 1 537 . 1 1 45 45 GLY CA C 13 45.716 0.000 . 1 . . . . A 45 GLY CA . 34292 1 538 . 1 1 45 45 GLY N N 15 107.333 0.000 . 1 . . . . A 45 GLY N . 34292 1 539 . 1 1 46 46 LYS H H 1 8.072 0.000 . 1 . . . . A 46 LYS H . 34292 1 540 . 1 1 46 46 LYS HA H 1 4.318 0.000 . 1 . . . . A 46 LYS HA . 34292 1 541 . 1 1 46 46 LYS HB2 H 1 1.991 0.000 . 2 . . . . A 46 LYS HB2 . 34292 1 542 . 1 1 46 46 LYS HB3 H 1 1.815 0.000 . 2 . . . . A 46 LYS HB3 . 34292 1 543 . 1 1 46 46 LYS HG2 H 1 1.434 0.000 . 2 . . . . A 46 LYS HG2 . 34292 1 544 . 1 1 46 46 LYS HG3 H 1 1.387 0.000 . 2 . . . . A 46 LYS HG3 . 34292 1 545 . 1 1 46 46 LYS HD2 H 1 1.385 0.000 . 1 . . . . A 46 LYS HD2 . 34292 1 546 . 1 1 46 46 LYS HD3 H 1 1.385 0.000 . 1 . . . . A 46 LYS HD3 . 34292 1 547 . 1 1 46 46 LYS HE2 H 1 2.855 0.000 . 1 . . . . A 46 LYS HE2 . 34292 1 548 . 1 1 46 46 LYS HE3 H 1 2.855 0.000 . 1 . . . . A 46 LYS HE3 . 34292 1 549 . 1 1 46 46 LYS CA C 13 57.769 0.000 . 1 . . . . A 46 LYS CA . 34292 1 550 . 1 1 46 46 LYS CB C 13 34.704 0.004 . 1 . . . . A 46 LYS CB . 34292 1 551 . 1 1 46 46 LYS CG C 13 26.345 0.002 . 1 . . . . A 46 LYS CG . 34292 1 552 . 1 1 46 46 LYS CD C 13 24.781 0.000 . 1 . . . . A 46 LYS CD . 34292 1 553 . 1 1 46 46 LYS CE C 13 42.112 0.000 . 1 . . . . A 46 LYS CE . 34292 1 554 . 1 1 46 46 LYS N N 15 115.963 0.000 . 1 . . . . A 46 LYS N . 34292 1 555 . 1 1 47 47 ILE H H 1 7.297 0.000 . 1 . . . . A 47 ILE H . 34292 1 556 . 1 1 47 47 ILE HA H 1 5.113 0.000 . 1 . . . . A 47 ILE HA . 34292 1 557 . 1 1 47 47 ILE HB H 1 1.889 0.000 . 1 . . . . A 47 ILE HB . 34292 1 558 . 1 1 47 47 ILE HG12 H 1 1.237 0.000 . 2 . . . . A 47 ILE HG12 . 34292 1 559 . 1 1 47 47 ILE HG13 H 1 0.879 0.000 . 2 . . . . A 47 ILE HG13 . 34292 1 560 . 1 1 47 47 ILE HG21 H 1 0.894 0.000 . 1 . . . . A 47 ILE HG21 . 34292 1 561 . 1 1 47 47 ILE HG22 H 1 0.894 0.000 . 1 . . . . A 47 ILE HG22 . 34292 1 562 . 1 1 47 47 ILE HG23 H 1 0.894 0.000 . 1 . . . . A 47 ILE HG23 . 34292 1 563 . 1 1 47 47 ILE HD11 H 1 1.057 0.000 . 1 . . . . A 47 ILE HD11 . 34292 1 564 . 1 1 47 47 ILE HD12 H 1 1.057 0.000 . 1 . . . . A 47 ILE HD12 . 34292 1 565 . 1 1 47 47 ILE HD13 H 1 1.057 0.000 . 1 . . . . A 47 ILE HD13 . 34292 1 566 . 1 1 47 47 ILE CA C 13 58.188 0.000 . 1 . . . . A 47 ILE CA . 34292 1 567 . 1 1 47 47 ILE CB C 13 42.686 0.000 . 1 . . . . A 47 ILE CB . 34292 1 568 . 1 1 47 47 ILE CG1 C 13 25.938 0.026 . 1 . . . . A 47 ILE CG1 . 34292 1 569 . 1 1 47 47 ILE CG2 C 13 19.413 0.000 . 1 . . . . A 47 ILE CG2 . 34292 1 570 . 1 1 47 47 ILE CD1 C 13 15.076 0.000 . 1 . . . . A 47 ILE CD1 . 34292 1 571 . 1 1 47 47 ILE N N 15 109.700 0.000 . 1 . . . . A 47 ILE N . 34292 1 572 . 1 1 48 48 LYS H H 1 9.133 0.000 . 1 . . . . A 48 LYS H . 34292 1 573 . 1 1 48 48 LYS HA H 1 4.700 0.000 . 1 . . . . A 48 LYS HA . 34292 1 574 . 1 1 48 48 LYS HB2 H 1 1.682 0.000 . 2 . . . . A 48 LYS HB2 . 34292 1 575 . 1 1 48 48 LYS HB3 H 1 1.571 0.000 . 2 . . . . A 48 LYS HB3 . 34292 1 576 . 1 1 48 48 LYS HG2 H 1 1.245 0.000 . 2 . . . . A 48 LYS HG2 . 34292 1 577 . 1 1 48 48 LYS HG3 H 1 1.177 0.000 . 2 . . . . A 48 LYS HG3 . 34292 1 578 . 1 1 48 48 LYS HD2 H 1 1.373 0.000 . 1 . . . . A 48 LYS HD2 . 34292 1 579 . 1 1 48 48 LYS HD3 H 1 1.373 0.000 . 1 . . . . A 48 LYS HD3 . 34292 1 580 . 1 1 48 48 LYS HE2 H 1 2.849 0.000 . 1 . . . . A 48 LYS HE2 . 34292 1 581 . 1 1 48 48 LYS HE3 H 1 2.849 0.000 . 1 . . . . A 48 LYS HE3 . 34292 1 582 . 1 1 48 48 LYS CA C 13 54.683 0.000 . 1 . . . . A 48 LYS CA . 34292 1 583 . 1 1 48 48 LYS CB C 13 36.355 0.000 . 1 . . . . A 48 LYS CB . 34292 1 584 . 1 1 48 48 LYS CG C 13 24.770 0.005 . 1 . . . . A 48 LYS CG . 34292 1 585 . 1 1 48 48 LYS CD C 13 29.227 0.000 . 1 . . . . A 48 LYS CD . 34292 1 586 . 1 1 48 48 LYS CE C 13 41.982 0.000 . 1 . . . . A 48 LYS CE . 34292 1 587 . 1 1 48 48 LYS N N 15 119.903 0.000 . 1 . . . . A 48 LYS N . 34292 1 588 . 1 1 49 49 ARG H H 1 8.677 0.000 . 1 . . . . A 49 ARG H . 34292 1 589 . 1 1 49 49 ARG HA H 1 5.027 0.000 . 1 . . . . A 49 ARG HA . 34292 1 590 . 1 1 49 49 ARG HB2 H 1 1.536 0.000 . 2 . . . . A 49 ARG HB2 . 34292 1 591 . 1 1 49 49 ARG HB3 H 1 1.718 0.000 . 2 . . . . A 49 ARG HB3 . 34292 1 592 . 1 1 49 49 ARG HG2 H 1 1.279 0.000 . 1 . . . . A 49 ARG HG2 . 34292 1 593 . 1 1 49 49 ARG HG3 H 1 1.279 0.000 . 1 . . . . A 49 ARG HG3 . 34292 1 594 . 1 1 49 49 ARG HD2 H 1 2.510 0.000 . 1 . . . . A 49 ARG HD2 . 34292 1 595 . 1 1 49 49 ARG HD3 H 1 2.510 0.000 . 1 . . . . A 49 ARG HD3 . 34292 1 596 . 1 1 49 49 ARG CA C 13 55.043 0.000 . 1 . . . . A 49 ARG CA . 34292 1 597 . 1 1 49 49 ARG CB C 13 31.720 0.001 . 1 . . . . A 49 ARG CB . 34292 1 598 . 1 1 49 49 ARG CG C 13 27.122 0.000 . 1 . . . . A 49 ARG CG . 34292 1 599 . 1 1 49 49 ARG CD C 13 43.361 0.001 . 1 . . . . A 49 ARG CD . 34292 1 600 . 1 1 49 49 ARG N N 15 122.344 0.000 . 1 . . . . A 49 ARG N . 34292 1 601 . 1 1 50 50 ILE H H 1 8.743 0.000 . 1 . . . . A 50 ILE H . 34292 1 602 . 1 1 50 50 ILE HA H 1 4.195 0.000 . 1 . . . . A 50 ILE HA . 34292 1 603 . 1 1 50 50 ILE HB H 1 1.666 0.000 . 1 . . . . A 50 ILE HB . 34292 1 604 . 1 1 50 50 ILE HG12 H 1 1.346 0.000 . 2 . . . . A 50 ILE HG12 . 34292 1 605 . 1 1 50 50 ILE HG13 H 1 0.987 0.000 . 2 . . . . A 50 ILE HG13 . 34292 1 606 . 1 1 50 50 ILE HG21 H 1 0.818 0.000 . 1 . . . . A 50 ILE HG21 . 34292 1 607 . 1 1 50 50 ILE HG22 H 1 0.818 0.000 . 1 . . . . A 50 ILE HG22 . 34292 1 608 . 1 1 50 50 ILE HG23 H 1 0.818 0.000 . 1 . . . . A 50 ILE HG23 . 34292 1 609 . 1 1 50 50 ILE HD11 H 1 0.754 0.000 . 1 . . . . A 50 ILE HD11 . 34292 1 610 . 1 1 50 50 ILE HD12 H 1 0.754 0.000 . 1 . . . . A 50 ILE HD12 . 34292 1 611 . 1 1 50 50 ILE HD13 H 1 0.754 0.000 . 1 . . . . A 50 ILE HD13 . 34292 1 612 . 1 1 50 50 ILE CA C 13 60.194 0.000 . 1 . . . . A 50 ILE CA . 34292 1 613 . 1 1 50 50 ILE CB C 13 39.292 0.000 . 1 . . . . A 50 ILE CB . 34292 1 614 . 1 1 50 50 ILE CG1 C 13 26.887 0.004 . 1 . . . . A 50 ILE CG1 . 34292 1 615 . 1 1 50 50 ILE CG2 C 13 17.244 0.000 . 1 . . . . A 50 ILE CG2 . 34292 1 616 . 1 1 50 50 ILE CD1 C 13 13.275 0.000 . 1 . . . . A 50 ILE CD1 . 34292 1 617 . 1 1 50 50 ILE N N 15 126.424 0.000 . 1 . . . . A 50 ILE N . 34292 1 618 . 1 1 51 51 ASN H H 1 9.200 0.000 . 1 . . . . A 51 ASN H . 34292 1 619 . 1 1 51 51 ASN HA H 1 4.084 0.000 . 1 . . . . A 51 ASN HA . 34292 1 620 . 1 1 51 51 ASN HB2 H 1 3.016 0.000 . 2 . . . . A 51 ASN HB2 . 34292 1 621 . 1 1 51 51 ASN HB3 H 1 2.899 0.000 . 2 . . . . A 51 ASN HB3 . 34292 1 622 . 1 1 51 51 ASN CA C 13 55.472 0.000 . 1 . . . . A 51 ASN CA . 34292 1 623 . 1 1 51 51 ASN CB C 13 37.307 0.007 . 1 . . . . A 51 ASN CB . 34292 1 624 . 1 1 51 51 ASN N N 15 125.109 0.000 . 1 . . . . A 51 ASN N . 34292 1 625 . 1 1 52 52 HIS H H 1 8.247 0.000 . 1 . . . . A 52 HIS H . 34292 1 626 . 1 1 52 52 HIS HA H 1 4.354 0.000 . 1 . . . . A 52 HIS HA . 34292 1 627 . 1 1 52 52 HIS HB2 H 1 3.097 0.000 . 2 . . . . A 52 HIS HB2 . 34292 1 628 . 1 1 52 52 HIS HB3 H 1 3.030 0.000 . 2 . . . . A 52 HIS HB3 . 34292 1 629 . 1 1 52 52 HIS CA C 13 57.044 0.000 . 1 . . . . A 52 HIS CA . 34292 1 630 . 1 1 52 52 HIS CB C 13 30.132 0.008 . 1 . . . . A 52 HIS CB . 34292 1 631 . 1 1 52 52 HIS N N 15 121.951 0.000 . 1 . . . . A 52 HIS N . 34292 1 632 . 1 1 53 53 ILE H H 1 8.278 0.000 . 1 . . . . A 53 ILE H . 34292 1 633 . 1 1 53 53 ILE HA H 1 4.930 0.000 . 1 . . . . A 53 ILE HA . 34292 1 634 . 1 1 53 53 ILE HB H 1 1.860 0.000 . 1 . . . . A 53 ILE HB . 34292 1 635 . 1 1 53 53 ILE HG12 H 1 1.375 0.000 . 1 . . . . A 53 ILE HG12 . 34292 1 636 . 1 1 53 53 ILE HG13 H 1 1.375 0.000 . 1 . . . . A 53 ILE HG13 . 34292 1 637 . 1 1 53 53 ILE HG21 H 1 0.754 0.000 . 1 . . . . A 53 ILE HG21 . 34292 1 638 . 1 1 53 53 ILE HG22 H 1 0.754 0.000 . 1 . . . . A 53 ILE HG22 . 34292 1 639 . 1 1 53 53 ILE HG23 H 1 0.754 0.000 . 1 . . . . A 53 ILE HG23 . 34292 1 640 . 1 1 53 53 ILE HD11 H 1 0.776 0.000 . 1 . . . . A 53 ILE HD11 . 34292 1 641 . 1 1 53 53 ILE HD12 H 1 0.776 0.000 . 1 . . . . A 53 ILE HD12 . 34292 1 642 . 1 1 53 53 ILE HD13 H 1 0.776 0.000 . 1 . . . . A 53 ILE HD13 . 34292 1 643 . 1 1 53 53 ILE CA C 13 60.192 0.000 . 1 . . . . A 53 ILE CA . 34292 1 644 . 1 1 53 53 ILE CB C 13 41.336 0.000 . 1 . . . . A 53 ILE CB . 34292 1 645 . 1 1 53 53 ILE CG1 C 13 26.411 0.000 . 1 . . . . A 53 ILE CG1 . 34292 1 646 . 1 1 53 53 ILE CG2 C 13 17.878 0.000 . 1 . . . . A 53 ILE CG2 . 34292 1 647 . 1 1 53 53 ILE CD1 C 13 13.285 0.000 . 1 . . . . A 53 ILE CD1 . 34292 1 648 . 1 1 53 53 ILE N N 15 119.876 0.000 . 1 . . . . A 53 ILE N . 34292 1 649 . 1 1 54 54 VAL H H 1 8.374 0.000 . 1 . . . . A 54 VAL H . 34292 1 650 . 1 1 54 54 VAL HA H 1 4.604 0.000 . 1 . . . . A 54 VAL HA . 34292 1 651 . 1 1 54 54 VAL HB H 1 1.901 0.000 . 1 . . . . A 54 VAL HB . 34292 1 652 . 1 1 54 54 VAL HG11 H 1 0.949 0.000 . 2 . . . . A 54 VAL HG11 . 34292 1 653 . 1 1 54 54 VAL HG12 H 1 0.949 0.000 . 2 . . . . A 54 VAL HG12 . 34292 1 654 . 1 1 54 54 VAL HG13 H 1 0.949 0.000 . 2 . . . . A 54 VAL HG13 . 34292 1 655 . 1 1 54 54 VAL HG21 H 1 0.905 0.000 . 2 . . . . A 54 VAL HG21 . 34292 1 656 . 1 1 54 54 VAL HG22 H 1 0.905 0.000 . 2 . . . . A 54 VAL HG22 . 34292 1 657 . 1 1 54 54 VAL HG23 H 1 0.905 0.000 . 2 . . . . A 54 VAL HG23 . 34292 1 658 . 1 1 54 54 VAL CA C 13 61.495 0.000 . 1 . . . . A 54 VAL CA . 34292 1 659 . 1 1 54 54 VAL CB C 13 33.725 0.000 . 1 . . . . A 54 VAL CB . 34292 1 660 . 1 1 54 54 VAL CG1 C 13 22.266 0.000 . 2 . . . . A 54 VAL CG1 . 34292 1 661 . 1 1 54 54 VAL CG2 C 13 22.430 0.000 . 2 . . . . A 54 VAL CG2 . 34292 1 662 . 1 1 54 54 VAL N N 15 121.809 0.000 . 1 . . . . A 54 VAL N . 34292 1 663 . 1 1 55 55 VAL H H 1 8.535 0.000 . 1 . . . . A 55 VAL H . 34292 1 664 . 1 1 55 55 VAL HA H 1 4.681 0.000 . 1 . . . . A 55 VAL HA . 34292 1 665 . 1 1 55 55 VAL HB H 1 2.006 0.000 . 1 . . . . A 55 VAL HB . 34292 1 666 . 1 1 55 55 VAL HG11 H 1 0.835 0.000 . 2 . . . . A 55 VAL HG11 . 34292 1 667 . 1 1 55 55 VAL HG12 H 1 0.835 0.000 . 2 . . . . A 55 VAL HG12 . 34292 1 668 . 1 1 55 55 VAL HG13 H 1 0.835 0.000 . 2 . . . . A 55 VAL HG13 . 34292 1 669 . 1 1 55 55 VAL HG21 H 1 0.700 0.000 . 2 . . . . A 55 VAL HG21 . 34292 1 670 . 1 1 55 55 VAL HG22 H 1 0.700 0.000 . 2 . . . . A 55 VAL HG22 . 34292 1 671 . 1 1 55 55 VAL HG23 H 1 0.700 0.000 . 2 . . . . A 55 VAL HG23 . 34292 1 672 . 1 1 55 55 VAL CA C 13 58.584 0.000 . 1 . . . . A 55 VAL CA . 34292 1 673 . 1 1 55 55 VAL CB C 13 35.520 0.000 . 1 . . . . A 55 VAL CB . 34292 1 674 . 1 1 55 55 VAL CG1 C 13 21.288 0.000 . 2 . . . . A 55 VAL CG1 . 34292 1 675 . 1 1 55 55 VAL CG2 C 13 20.232 0.000 . 2 . . . . A 55 VAL CG2 . 34292 1 676 . 1 1 55 55 VAL N N 15 117.272 0.000 . 1 . . . . A 55 VAL N . 34292 1 677 . 1 1 56 56 LEU H H 1 8.493 0.000 . 1 . . . . A 56 LEU H . 34292 1 678 . 1 1 56 56 LEU HA H 1 4.343 0.000 . 1 . . . . A 56 LEU HA . 34292 1 679 . 1 1 56 56 LEU HB2 H 1 1.471 0.000 . 2 . . . . A 56 LEU HB2 . 34292 1 680 . 1 1 56 56 LEU HB3 H 1 1.522 0.000 . 2 . . . . A 56 LEU HB3 . 34292 1 681 . 1 1 56 56 LEU HG H 1 1.499 0.000 . 1 . . . . A 56 LEU HG . 34292 1 682 . 1 1 56 56 LEU HD11 H 1 0.933 0.000 . 2 . . . . A 56 LEU HD11 . 34292 1 683 . 1 1 56 56 LEU HD12 H 1 0.933 0.000 . 2 . . . . A 56 LEU HD12 . 34292 1 684 . 1 1 56 56 LEU HD13 H 1 0.933 0.000 . 2 . . . . A 56 LEU HD13 . 34292 1 685 . 1 1 56 56 LEU HD21 H 1 0.875 0.000 . 2 . . . . A 56 LEU HD21 . 34292 1 686 . 1 1 56 56 LEU HD22 H 1 0.875 0.000 . 2 . . . . A 56 LEU HD22 . 34292 1 687 . 1 1 56 56 LEU HD23 H 1 0.875 0.000 . 2 . . . . A 56 LEU HD23 . 34292 1 688 . 1 1 56 56 LEU CA C 13 55.397 0.000 . 1 . . . . A 56 LEU CA . 34292 1 689 . 1 1 56 56 LEU CB C 13 42.308 0.002 . 1 . . . . A 56 LEU CB . 34292 1 690 . 1 1 56 56 LEU CG C 13 27.239 0.000 . 1 . . . . A 56 LEU CG . 34292 1 691 . 1 1 56 56 LEU CD1 C 13 25.530 0.004 . 1 . . . . A 56 LEU CD1 . 34292 1 692 . 1 1 56 56 LEU CD2 C 13 25.530 0.004 . 1 . . . . A 56 LEU CD2 . 34292 1 693 . 1 1 56 56 LEU N N 15 122.311 0.000 . 1 . . . . A 56 LEU N . 34292 1 694 . 1 1 57 57 ALA H H 1 7.670 0.000 . 1 . . . . A 57 ALA H . 34292 1 695 . 1 1 57 57 ALA HA H 1 4.101 0.000 . 1 . . . . A 57 ALA HA . 34292 1 696 . 1 1 57 57 ALA HB1 H 1 1.104 0.000 . 1 . . . . A 57 ALA HB1 . 34292 1 697 . 1 1 57 57 ALA HB2 H 1 1.104 0.000 . 1 . . . . A 57 ALA HB2 . 34292 1 698 . 1 1 57 57 ALA HB3 H 1 1.104 0.000 . 1 . . . . A 57 ALA HB3 . 34292 1 699 . 1 1 57 57 ALA CA C 13 52.652 0.000 . 1 . . . . A 57 ALA CA . 34292 1 700 . 1 1 57 57 ALA CB C 13 19.756 0.000 . 1 . . . . A 57 ALA CB . 34292 1 701 . 1 1 57 57 ALA N N 15 124.245 0.000 . 1 . . . . A 57 ALA N . 34292 1 702 . 1 1 58 58 HIS H H 1 8.243 0.000 . 1 . . . . A 58 HIS H . 34292 1 703 . 1 1 58 58 HIS N N 15 116.152 0.000 . 1 . . . . A 58 HIS N . 34292 1 stop_ save_