data_18916 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18916 _Entry.Title ; NMR solution structure of BRCT domain of yeast REV1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-21 _Entry.Accession_date 2012-12-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Yulia Pustovalova . . . 18916 2 Mark Maciejewski . W. . 18916 3 Dmitry Korzhnev . M. . 18916 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18916 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BRCT . 18916 REV1 . 18916 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18916 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 18916 '15N chemical shifts' 86 18916 '1H chemical shifts' 666 18916 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-17 2012-12-21 update BMRB 'update entry citation' 18916 1 . . 2013-01-22 2012-12-21 original author 'original release' 18916 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M2I 'BMRB Entry Tracking System' 18916 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18916 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23747975 _Citation.Full_citation . _Citation.Title 'NMR mapping of PCNA interaction with translesion synthesis DNA polymerase Rev1 mediated by Rev1-BRCT domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 17 _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 3091 _Citation.Page_last 3105 _Citation.Year 2013 _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 Yulia Pustovalova . . . 18916 1 2 Mark Maciejewski . W. . 18916 1 3 Dmitry Korzhnev . M. . 18916 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18916 _Assembly.ID 1 _Assembly.Name 'BRCT domain of yeast REV1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BRCT domain of yeast REV1' 1 $entity A . yes native no no . . . 18916 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18916 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ISSQSSKIFKNCVIYINGYT KPGRLQLHEMIVLHGGKFLH YLSSKKTVTHIVASNLPLKK RIEFANYKVVSPDWIVDSVK EARLLPWQNYSLTS ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10792.708 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M2I . "Nmr Solution Structure Of Brct Domain Of Yeast Rev1" . . . . . 100.00 94 100.00 100.00 3.62e-61 . . . . 18916 1 2 no PDB 4ID3 . "Crystal Structure Of The Brct Domain Of S. Cerevisiae Rev1" . . . . . 97.87 92 100.00 100.00 5.87e-60 . . . . 18916 1 3 no DBJ GAA26649 . "K7_Rev1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 985 98.94 100.00 6.31e-56 . . . . 18916 1 4 no EMBL CAA65033 . "O6342 [Saccharomyces cerevisiae]" . . . . . 100.00 985 100.00 100.00 4.71e-56 . . . . 18916 1 5 no EMBL CAA99674 . "REV1 [Saccharomyces cerevisiae]" . . . . . 100.00 985 100.00 100.00 4.71e-56 . . . . 18916 1 6 no EMBL CAY86626 . "Rev1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 985 100.00 100.00 4.57e-56 . . . . 18916 1 7 no GB AAA34967 . "REV1 protein [Saccharomyces cerevisiae]" . . . . . 100.00 985 100.00 100.00 5.05e-56 . . . . 18916 1 8 no GB AHY77615 . "Rev1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 985 100.00 100.00 4.95e-56 . . . . 18916 1 9 no GB AJP41846 . "Rev1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 985 100.00 100.00 4.95e-56 . . . . 18916 1 10 no GB AJT71268 . "Rev1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 985 100.00 100.00 4.95e-56 . . . . 18916 1 11 no GB AJT71755 . "Rev1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 985 100.00 100.00 4.80e-56 . . . . 18916 1 12 no REF NP_014991 . "Rev1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 985 100.00 100.00 4.71e-56 . . . . 18916 1 13 no SP P12689 . "RecName: Full=DNA repair protein REV1; AltName: Full=Reversionless protein 1" . . . . . 100.00 985 100.00 100.00 4.71e-56 . . . . 18916 1 14 no TPG DAA11107 . "TPA: Rev1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 985 100.00 100.00 4.71e-56 . . . . 18916 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 . ILE . 18916 1 2 . SER . 18916 1 3 . SER . 18916 1 4 . GLN . 18916 1 5 . SER . 18916 1 6 . SER . 18916 1 7 . LYS . 18916 1 8 . ILE . 18916 1 9 . PHE . 18916 1 10 . LYS . 18916 1 11 . ASN . 18916 1 12 . CYS . 18916 1 13 . VAL . 18916 1 14 . ILE . 18916 1 15 . TYR . 18916 1 16 . ILE . 18916 1 17 . ASN . 18916 1 18 . GLY . 18916 1 19 . TYR . 18916 1 20 . THR . 18916 1 21 . LYS . 18916 1 22 . PRO . 18916 1 23 . GLY . 18916 1 24 . ARG . 18916 1 25 . LEU . 18916 1 26 . GLN . 18916 1 27 . LEU . 18916 1 28 . HIS . 18916 1 29 . GLU . 18916 1 30 . MET . 18916 1 31 . ILE . 18916 1 32 . VAL . 18916 1 33 . LEU . 18916 1 34 . HIS . 18916 1 35 . GLY . 18916 1 36 . GLY . 18916 1 37 . LYS . 18916 1 38 . PHE . 18916 1 39 . LEU . 18916 1 40 . HIS . 18916 1 41 . TYR . 18916 1 42 . LEU . 18916 1 43 . SER . 18916 1 44 . SER . 18916 1 45 . LYS . 18916 1 46 . LYS . 18916 1 47 . THR . 18916 1 48 . VAL . 18916 1 49 . THR . 18916 1 50 . HIS . 18916 1 51 . ILE . 18916 1 52 . VAL . 18916 1 53 . ALA . 18916 1 54 . SER . 18916 1 55 . ASN . 18916 1 56 . LEU . 18916 1 57 . PRO . 18916 1 58 . LEU . 18916 1 59 . LYS . 18916 1 60 . LYS . 18916 1 61 . ARG . 18916 1 62 . ILE . 18916 1 63 . GLU . 18916 1 64 . PHE . 18916 1 65 . ALA . 18916 1 66 . ASN . 18916 1 67 . TYR . 18916 1 68 . LYS . 18916 1 69 . VAL . 18916 1 70 . VAL . 18916 1 71 . SER . 18916 1 72 . PRO . 18916 1 73 . ASP . 18916 1 74 . TRP . 18916 1 75 . ILE . 18916 1 76 . VAL . 18916 1 77 . ASP . 18916 1 78 . SER . 18916 1 79 . VAL . 18916 1 80 . LYS . 18916 1 81 . GLU . 18916 1 82 . ALA . 18916 1 83 . ARG . 18916 1 84 . LEU . 18916 1 85 . LEU . 18916 1 86 . PRO . 18916 1 87 . TRP . 18916 1 88 . GLN . 18916 1 89 . ASN . 18916 1 90 . TYR . 18916 1 91 . SER . 18916 1 92 . LEU . 18916 1 93 . THR . 18916 1 94 . SER . 18916 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 . ILE 1 1 18916 1 . SER 2 2 18916 1 . SER 3 3 18916 1 . GLN 4 4 18916 1 . SER 5 5 18916 1 . SER 6 6 18916 1 . LYS 7 7 18916 1 . ILE 8 8 18916 1 . PHE 9 9 18916 1 . LYS 10 10 18916 1 . ASN 11 11 18916 1 . CYS 12 12 18916 1 . VAL 13 13 18916 1 . ILE 14 14 18916 1 . TYR 15 15 18916 1 . ILE 16 16 18916 1 . ASN 17 17 18916 1 . GLY 18 18 18916 1 . TYR 19 19 18916 1 . THR 20 20 18916 1 . LYS 21 21 18916 1 . PRO 22 22 18916 1 . GLY 23 23 18916 1 . ARG 24 24 18916 1 . LEU 25 25 18916 1 . GLN 26 26 18916 1 . LEU 27 27 18916 1 . HIS 28 28 18916 1 . GLU 29 29 18916 1 . MET 30 30 18916 1 . ILE 31 31 18916 1 . VAL 32 32 18916 1 . LEU 33 33 18916 1 . HIS 34 34 18916 1 . GLY 35 35 18916 1 . GLY 36 36 18916 1 . LYS 37 37 18916 1 . PHE 38 38 18916 1 . LEU 39 39 18916 1 . HIS 40 40 18916 1 . TYR 41 41 18916 1 . LEU 42 42 18916 1 . SER 43 43 18916 1 . SER 44 44 18916 1 . LYS 45 45 18916 1 . LYS 46 46 18916 1 . THR 47 47 18916 1 . VAL 48 48 18916 1 . THR 49 49 18916 1 . HIS 50 50 18916 1 . ILE 51 51 18916 1 . VAL 52 52 18916 1 . ALA 53 53 18916 1 . SER 54 54 18916 1 . ASN 55 55 18916 1 . LEU 56 56 18916 1 . PRO 57 57 18916 1 . LEU 58 58 18916 1 . LYS 59 59 18916 1 . LYS 60 60 18916 1 . ARG 61 61 18916 1 . ILE 62 62 18916 1 . GLU 63 63 18916 1 . PHE 64 64 18916 1 . ALA 65 65 18916 1 . ASN 66 66 18916 1 . TYR 67 67 18916 1 . LYS 68 68 18916 1 . VAL 69 69 18916 1 . VAL 70 70 18916 1 . SER 71 71 18916 1 . PRO 72 72 18916 1 . ASP 73 73 18916 1 . TRP 74 74 18916 1 . ILE 75 75 18916 1 . VAL 76 76 18916 1 . ASP 77 77 18916 1 . SER 78 78 18916 1 . VAL 79 79 18916 1 . LYS 80 80 18916 1 . GLU 81 81 18916 1 . ALA 82 82 18916 1 . ARG 83 83 18916 1 . LEU 84 84 18916 1 . LEU 85 85 18916 1 . PRO 86 86 18916 1 . TRP 87 87 18916 1 . GLN 88 88 18916 1 . ASN 89 89 18916 1 . TYR 90 90 18916 1 . SER 91 91 18916 1 . LEU 92 92 18916 1 . THR 93 93 18916 1 . SER 94 94 18916 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 18916 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18916 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 18916 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b+ . . . . . . 18916 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18916 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Rev1-BRCT '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 70 . . uM . . . . 18916 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18916 1 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 18916 _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 'ionic strength' 0.05 . M 18916 1 pH 7.0 . pH 18916 1 pressure 1 . atm 18916 1 temperature 293 . K 18916 1 stop_ save_ ############################ # Computer software used # ############################ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 18916 _Software.ID 1 _Software.Name 'Rowland NMR Toolkit' _Software.Version 3.1 _Software.Details 'Used for NMR data processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alan S. Stern' . . 18916 1 'Jeffrey C. Hoch' . . 18916 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18916 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18916 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18916 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18916 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18916 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18916 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18916 3 'data analysis' 18916 3 'peak picking' 18916 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18916 _Software.ID 4 _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' . . 18916 4 'Shen, Delaglio, Cornilescu, and Bax' . . 18916 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle restraints' 18916 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18916 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18916 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18916 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18916 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18916 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18916 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_800 _NMR_spectrometer.Entry_ID 18916 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_600 _NMR_spectrometer.Entry_ID 18916 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_500 _NMR_spectrometer.Entry_ID 18916 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 18916 _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 NMR_800 Varian VNMRS . 800 . . . 18916 1 2 NMR_600 Varian VNMRS . 600 . . . 18916 1 3 NMR_500 Varian VNMRS . 500 . . . 18916 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 18916 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_500 . . . . . . . . . . . . . . . . 18916 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 18916 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 18916 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 18916 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 18916 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 13 '3D HCCH-TOCSY-aro' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_500 . . . . . . . . . . . . . . . . 18916 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_800 . . . . . . . . . . . . . . . . 18916 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_500 . . . . . . . . . . . . . . . . 18916 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 18916 _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 water protons . . . . ppm 4.823 na indirect 0.251449530 . . . . . . . . . 18916 1 H 1 water protons . . . . ppm 4.823 internal direct 1.0 . . . . . . . . . 18916 1 N 15 water protons . . . . ppm 4.823 na indirect 0.101329118 . . . . . . . . . 18916 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 18916 _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' . . . 18916 1 3 '2D 1H-13C HSQC aromatic' . . . 18916 1 11 '3D HCCH-TOCSY' . . . 18916 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE HA H 1 4.231 . . 1 . . . A 1 ILE HA . 18916 1 2 . 1 1 1 1 ILE HB H 1 1.854 . . 1 . . . A 1 ILE HB . 18916 1 3 . 1 1 1 1 ILE HG12 H 1 1.432 . . 2 . . . A 1 ILE HG12 . 18916 1 4 . 1 1 1 1 ILE HG13 H 1 1.173 . . 2 . . . A 1 ILE HG13 . 18916 1 5 . 1 1 1 1 ILE HG21 H 1 0.906 . . 1 . . . A 1 ILE HG21 . 18916 1 6 . 1 1 1 1 ILE HG22 H 1 0.906 . . 1 . . . A 1 ILE HG22 . 18916 1 7 . 1 1 1 1 ILE HG23 H 1 0.906 . . 1 . . . A 1 ILE HG23 . 18916 1 8 . 1 1 1 1 ILE HD11 H 1 0.829 . . 1 . . . A 1 ILE HD11 . 18916 1 9 . 1 1 1 1 ILE HD12 H 1 0.829 . . 1 . . . A 1 ILE HD12 . 18916 1 10 . 1 1 1 1 ILE HD13 H 1 0.829 . . 1 . . . A 1 ILE HD13 . 18916 1 11 . 1 1 1 1 ILE CA C 13 61.428 . . 1 . . . A 1 ILE CA . 18916 1 12 . 1 1 1 1 ILE CB C 13 38.945 . . 1 . . . A 1 ILE CB . 18916 1 13 . 1 1 1 1 ILE CG1 C 13 27.134 . . 1 . . . A 1 ILE CG1 . 18916 1 14 . 1 1 1 1 ILE CG2 C 13 17.528 . . 1 . . . A 1 ILE CG2 . 18916 1 15 . 1 1 1 1 ILE CD1 C 13 13.188 . . 1 . . . A 1 ILE CD1 . 18916 1 16 . 1 1 4 4 GLN HA H 1 3.782 . . 1 . . . A 4 GLN HA . 18916 1 17 . 1 1 4 4 GLN HB2 H 1 2.206 . . 1 . . . A 4 GLN HB2 . 18916 1 18 . 1 1 4 4 GLN HG2 H 1 2.692 . . 1 . . . A 4 GLN HG2 . 18916 1 19 . 1 1 4 4 GLN HE21 H 1 7.567 . . 2 . . . A 4 GLN HE21 . 18916 1 20 . 1 1 4 4 GLN HE22 H 1 6.896 . . 2 . . . A 4 GLN HE22 . 18916 1 21 . 1 1 4 4 GLN CA C 13 56.878 . . 1 . . . A 4 GLN CA . 18916 1 22 . 1 1 4 4 GLN CB C 13 29.441 . . 1 . . . A 4 GLN CB . 18916 1 23 . 1 1 4 4 GLN CG C 13 34.297 . . 1 . . . A 4 GLN CG . 18916 1 24 . 1 1 4 4 GLN NE2 N 15 112.785 . . 1 . . . A 4 GLN NE2 . 18916 1 25 . 1 1 7 7 LYS HA H 1 4.554 . . 1 . . . A 7 LYS HA . 18916 1 26 . 1 1 7 7 LYS HB2 H 1 2.005 . . 2 . . . A 7 LYS HB2 . 18916 1 27 . 1 1 7 7 LYS HB3 H 1 1.679 . . 2 . . . A 7 LYS HB3 . 18916 1 28 . 1 1 7 7 LYS HG2 H 1 1.446 . . 2 . . . A 7 LYS HG2 . 18916 1 29 . 1 1 7 7 LYS HG3 H 1 1.332 . . 2 . . . A 7 LYS HG3 . 18916 1 30 . 1 1 7 7 LYS HD2 H 1 1.677 . . 2 . . . A 7 LYS HD2 . 18916 1 31 . 1 1 7 7 LYS HD3 H 1 1.571 . . 2 . . . A 7 LYS HD3 . 18916 1 32 . 1 1 7 7 LYS HE2 H 1 2.952 . . 1 . . . A 7 LYS HE2 . 18916 1 33 . 1 1 7 7 LYS C C 13 178.298 . . 1 . . . A 7 LYS C . 18916 1 34 . 1 1 7 7 LYS CA C 13 54.750 . . 1 . . . A 7 LYS CA . 18916 1 35 . 1 1 7 7 LYS CB C 13 32.593 . . 1 . . . A 7 LYS CB . 18916 1 36 . 1 1 7 7 LYS CG C 13 24.594 . . 1 . . . A 7 LYS CG . 18916 1 37 . 1 1 7 7 LYS CD C 13 29.394 . . 1 . . . A 7 LYS CD . 18916 1 38 . 1 1 7 7 LYS CE C 13 42.343 . . 1 . . . A 7 LYS CE . 18916 1 39 . 1 1 8 8 ILE H H 1 7.633 . . 1 . . . A 8 ILE H . 18916 1 40 . 1 1 8 8 ILE HA H 1 3.584 . . 1 . . . A 8 ILE HA . 18916 1 41 . 1 1 8 8 ILE HB H 1 1.153 . . 1 . . . A 8 ILE HB . 18916 1 42 . 1 1 8 8 ILE HG12 H 1 0.820 . . 1 . . . A 8 ILE HG12 . 18916 1 43 . 1 1 8 8 ILE HG13 H 1 0.615 . . 1 . . . A 8 ILE HG13 . 18916 1 44 . 1 1 8 8 ILE HG21 H 1 0.102 . . 1 . . . A 8 ILE HG21 . 18916 1 45 . 1 1 8 8 ILE HG22 H 1 0.102 . . 1 . . . A 8 ILE HG22 . 18916 1 46 . 1 1 8 8 ILE HG23 H 1 0.102 . . 1 . . . A 8 ILE HG23 . 18916 1 47 . 1 1 8 8 ILE HD11 H 1 0.057 . . 1 . . . A 8 ILE HD11 . 18916 1 48 . 1 1 8 8 ILE HD12 H 1 0.057 . . 1 . . . A 8 ILE HD12 . 18916 1 49 . 1 1 8 8 ILE HD13 H 1 0.057 . . 1 . . . A 8 ILE HD13 . 18916 1 50 . 1 1 8 8 ILE C C 13 177.164 . . 1 . . . A 8 ILE C . 18916 1 51 . 1 1 8 8 ILE CA C 13 65.912 . . 1 . . . A 8 ILE CA . 18916 1 52 . 1 1 8 8 ILE CB C 13 38.974 . . 1 . . . A 8 ILE CB . 18916 1 53 . 1 1 8 8 ILE CG1 C 13 26.551 . . 1 . . . A 8 ILE CG1 . 18916 1 54 . 1 1 8 8 ILE CG2 C 13 16.523 . . 1 . . . A 8 ILE CG2 . 18916 1 55 . 1 1 8 8 ILE CD1 C 13 14.352 . . 1 . . . A 8 ILE CD1 . 18916 1 56 . 1 1 8 8 ILE N N 15 119.676 . . 1 . . . A 8 ILE N . 18916 1 57 . 1 1 9 9 PHE H H 1 8.403 . . 1 . . . A 9 PHE H . 18916 1 58 . 1 1 9 9 PHE HA H 1 4.912 . . 1 . . . A 9 PHE HA . 18916 1 59 . 1 1 9 9 PHE HB2 H 1 3.392 . . 2 . . . A 9 PHE HB2 . 18916 1 60 . 1 1 9 9 PHE HB3 H 1 3.366 . . 2 . . . A 9 PHE HB3 . 18916 1 61 . 1 1 9 9 PHE HD1 H 1 6.974 . . 1 . . . A 9 PHE HD1 . 18916 1 62 . 1 1 9 9 PHE HD2 H 1 6.974 . . 1 . . . A 9 PHE HD2 . 18916 1 63 . 1 1 9 9 PHE HE1 H 1 6.108 . . 1 . . . A 9 PHE HE1 . 18916 1 64 . 1 1 9 9 PHE HE2 H 1 6.108 . . 1 . . . A 9 PHE HE2 . 18916 1 65 . 1 1 9 9 PHE HZ H 1 6.802 . . 1 . . . A 9 PHE HZ . 18916 1 66 . 1 1 9 9 PHE C C 13 174.520 . . 1 . . . A 9 PHE C . 18916 1 67 . 1 1 9 9 PHE CA C 13 57.039 . . 1 . . . A 9 PHE CA . 18916 1 68 . 1 1 9 9 PHE CB C 13 37.714 . . 1 . . . A 9 PHE CB . 18916 1 69 . 1 1 9 9 PHE CD1 C 13 131.650 . . 1 . . . A 9 PHE CD1 . 18916 1 70 . 1 1 9 9 PHE CE1 C 13 129.987 . . 1 . . . A 9 PHE CE1 . 18916 1 71 . 1 1 9 9 PHE CZ C 13 129.987 . . 1 . . . A 9 PHE CZ . 18916 1 72 . 1 1 9 9 PHE N N 15 113.639 . . 1 . . . A 9 PHE N . 18916 1 73 . 1 1 10 10 LYS H H 1 7.328 . . 1 . . . A 10 LYS H . 18916 1 74 . 1 1 10 10 LYS HA H 1 4.143 . . 1 . . . A 10 LYS HA . 18916 1 75 . 1 1 10 10 LYS HB2 H 1 1.932 . . 2 . . . A 10 LYS HB2 . 18916 1 76 . 1 1 10 10 LYS HB3 H 1 1.840 . . 2 . . . A 10 LYS HB3 . 18916 1 77 . 1 1 10 10 LYS HG2 H 1 1.456 . . 2 . . . A 10 LYS HG2 . 18916 1 78 . 1 1 10 10 LYS HG3 H 1 1.474 . . 2 . . . A 10 LYS HG3 . 18916 1 79 . 1 1 10 10 LYS HD2 H 1 1.734 . . 2 . . . A 10 LYS HD2 . 18916 1 80 . 1 1 10 10 LYS HD3 H 1 1.754 . . 2 . . . A 10 LYS HD3 . 18916 1 81 . 1 1 10 10 LYS HE2 H 1 3.024 . . 2 . . . A 10 LYS HE2 . 18916 1 82 . 1 1 10 10 LYS HE3 H 1 3.029 . . 2 . . . A 10 LYS HE3 . 18916 1 83 . 1 1 10 10 LYS C C 13 177.600 . . 1 . . . A 10 LYS C . 18916 1 84 . 1 1 10 10 LYS CA C 13 58.508 . . 1 . . . A 10 LYS CA . 18916 1 85 . 1 1 10 10 LYS CB C 13 32.440 . . 1 . . . A 10 LYS CB . 18916 1 86 . 1 1 10 10 LYS CG C 13 24.222 . . 1 . . . A 10 LYS CG . 18916 1 87 . 1 1 10 10 LYS CD C 13 29.700 . . 1 . . . A 10 LYS CD . 18916 1 88 . 1 1 10 10 LYS CE C 13 42.174 . . 1 . . . A 10 LYS CE . 18916 1 89 . 1 1 10 10 LYS N N 15 120.104 . . 1 . . . A 10 LYS N . 18916 1 90 . 1 1 11 11 ASN H H 1 8.984 . . 1 . . . A 11 ASN H . 18916 1 91 . 1 1 11 11 ASN HA H 1 4.545 . . 1 . . . A 11 ASN HA . 18916 1 92 . 1 1 11 11 ASN HB2 H 1 3.271 . . 2 . . . A 11 ASN HB2 . 18916 1 93 . 1 1 11 11 ASN HB3 H 1 3.110 . . 2 . . . A 11 ASN HB3 . 18916 1 94 . 1 1 11 11 ASN HD21 H 1 7.800 . . 2 . . . A 11 ASN HD21 . 18916 1 95 . 1 1 11 11 ASN HD22 H 1 7.158 . . 2 . . . A 11 ASN HD22 . 18916 1 96 . 1 1 11 11 ASN C C 13 175.566 . . 1 . . . A 11 ASN C . 18916 1 97 . 1 1 11 11 ASN CA C 13 55.479 . . 1 . . . A 11 ASN CA . 18916 1 98 . 1 1 11 11 ASN CB C 13 37.528 . . 1 . . . A 11 ASN CB . 18916 1 99 . 1 1 11 11 ASN N N 15 116.960 . . 1 . . . A 11 ASN N . 18916 1 100 . 1 1 11 11 ASN ND2 N 15 114.250 . . 1 . . . A 11 ASN ND2 . 18916 1 101 . 1 1 12 12 CYS H H 1 8.460 . . 1 . . . A 12 CYS H . 18916 1 102 . 1 1 12 12 CYS HA H 1 5.126 . . 1 . . . A 12 CYS HA . 18916 1 103 . 1 1 12 12 CYS HB2 H 1 2.582 . . 2 . . . A 12 CYS HB2 . 18916 1 104 . 1 1 12 12 CYS HB3 H 1 3.334 . . 2 . . . A 12 CYS HB3 . 18916 1 105 . 1 1 12 12 CYS C C 13 175.014 . . 1 . . . A 12 CYS C . 18916 1 106 . 1 1 12 12 CYS CA C 13 59.549 . . 1 . . . A 12 CYS CA . 18916 1 107 . 1 1 12 12 CYS CB C 13 29.319 . . 1 . . . A 12 CYS CB . 18916 1 108 . 1 1 12 12 CYS N N 15 118.344 . . 1 . . . A 12 CYS N . 18916 1 109 . 1 1 13 13 VAL H H 1 9.878 . . 1 . . . A 13 VAL H . 18916 1 110 . 1 1 13 13 VAL HA H 1 4.389 . . 1 . . . A 13 VAL HA . 18916 1 111 . 1 1 13 13 VAL HB H 1 2.288 . . 1 . . . A 13 VAL HB . 18916 1 112 . 1 1 13 13 VAL HG11 H 1 0.666 . . 2 . . . A 13 VAL HG11 . 18916 1 113 . 1 1 13 13 VAL HG12 H 1 0.666 . . 2 . . . A 13 VAL HG12 . 18916 1 114 . 1 1 13 13 VAL HG13 H 1 0.666 . . 2 . . . A 13 VAL HG13 . 18916 1 115 . 1 1 13 13 VAL HG21 H 1 0.803 . . 2 . . . A 13 VAL HG21 . 18916 1 116 . 1 1 13 13 VAL HG22 H 1 0.803 . . 2 . . . A 13 VAL HG22 . 18916 1 117 . 1 1 13 13 VAL HG23 H 1 0.803 . . 2 . . . A 13 VAL HG23 . 18916 1 118 . 1 1 13 13 VAL C C 13 174.912 . . 1 . . . A 13 VAL C . 18916 1 119 . 1 1 13 13 VAL CA C 13 62.294 . . 1 . . . A 13 VAL CA . 18916 1 120 . 1 1 13 13 VAL CB C 13 33.468 . . 1 . . . A 13 VAL CB . 18916 1 121 . 1 1 13 13 VAL CG1 C 13 21.453 . . 1 . . . A 13 VAL CG1 . 18916 1 122 . 1 1 13 13 VAL CG2 C 13 20.394 . . 1 . . . A 13 VAL CG2 . 18916 1 123 . 1 1 13 13 VAL N N 15 128.765 . . 1 . . . A 13 VAL N . 18916 1 124 . 1 1 14 14 ILE H H 1 8.841 . . 1 . . . A 14 ILE H . 18916 1 125 . 1 1 14 14 ILE HA H 1 5.200 . . 1 . . . A 14 ILE HA . 18916 1 126 . 1 1 14 14 ILE HB H 1 1.666 . . 1 . . . A 14 ILE HB . 18916 1 127 . 1 1 14 14 ILE HG12 H 1 1.499 . . 2 . . . A 14 ILE HG12 . 18916 1 128 . 1 1 14 14 ILE HG13 H 1 1.176 . . 2 . . . A 14 ILE HG13 . 18916 1 129 . 1 1 14 14 ILE HG21 H 1 0.783 . . 1 . . . A 14 ILE HG21 . 18916 1 130 . 1 1 14 14 ILE HG22 H 1 0.783 . . 1 . . . A 14 ILE HG22 . 18916 1 131 . 1 1 14 14 ILE HG23 H 1 0.783 . . 1 . . . A 14 ILE HG23 . 18916 1 132 . 1 1 14 14 ILE HD11 H 1 0.621 . . 1 . . . A 14 ILE HD11 . 18916 1 133 . 1 1 14 14 ILE HD12 H 1 0.621 . . 1 . . . A 14 ILE HD12 . 18916 1 134 . 1 1 14 14 ILE HD13 H 1 0.621 . . 1 . . . A 14 ILE HD13 . 18916 1 135 . 1 1 14 14 ILE C C 13 174.098 . . 1 . . . A 14 ILE C . 18916 1 136 . 1 1 14 14 ILE CA C 13 60.304 . . 1 . . . A 14 ILE CA . 18916 1 137 . 1 1 14 14 ILE CB C 13 41.544 . . 1 . . . A 14 ILE CB . 18916 1 138 . 1 1 14 14 ILE CG1 C 13 29.632 . . 1 . . . A 14 ILE CG1 . 18916 1 139 . 1 1 14 14 ILE CG2 C 13 19.413 . . 1 . . . A 14 ILE CG2 . 18916 1 140 . 1 1 14 14 ILE CD1 C 13 14.357 . . 1 . . . A 14 ILE CD1 . 18916 1 141 . 1 1 14 14 ILE N N 15 128.270 . . 1 . . . A 14 ILE N . 18916 1 142 . 1 1 15 15 TYR H H 1 8.023 . . 1 . . . A 15 TYR H . 18916 1 143 . 1 1 15 15 TYR HA H 1 5.109 . . 1 . . . A 15 TYR HA . 18916 1 144 . 1 1 15 15 TYR HB2 H 1 2.742 . . 1 . . . A 15 TYR HB2 . 18916 1 145 . 1 1 15 15 TYR HB3 H 1 2.455 . . 1 . . . A 15 TYR HB3 . 18916 1 146 . 1 1 15 15 TYR HD1 H 1 6.751 . . 1 . . . A 15 TYR HD1 . 18916 1 147 . 1 1 15 15 TYR HD2 H 1 6.751 . . 1 . . . A 15 TYR HD2 . 18916 1 148 . 1 1 15 15 TYR HE1 H 1 6.760 . . 1 . . . A 15 TYR HE1 . 18916 1 149 . 1 1 15 15 TYR HE2 H 1 6.760 . . 1 . . . A 15 TYR HE2 . 18916 1 150 . 1 1 15 15 TYR C C 13 173.023 . . 1 . . . A 15 TYR C . 18916 1 151 . 1 1 15 15 TYR CA C 13 55.886 . . 1 . . . A 15 TYR CA . 18916 1 152 . 1 1 15 15 TYR CB C 13 42.813 . . 1 . . . A 15 TYR CB . 18916 1 153 . 1 1 15 15 TYR CD2 C 13 132.668 . . 1 . . . A 15 TYR CD2 . 18916 1 154 . 1 1 15 15 TYR CE2 C 13 117.989 . . 1 . . . A 15 TYR CE2 . 18916 1 155 . 1 1 15 15 TYR N N 15 125.475 . . 1 . . . A 15 TYR N . 18916 1 156 . 1 1 16 16 ILE H H 1 8.708 . . 1 . . . A 16 ILE H . 18916 1 157 . 1 1 16 16 ILE HA H 1 4.367 . . 1 . . . A 16 ILE HA . 18916 1 158 . 1 1 16 16 ILE HB H 1 1.542 . . 1 . . . A 16 ILE HB . 18916 1 159 . 1 1 16 16 ILE HG12 H 1 1.342 . . 2 . . . A 16 ILE HG12 . 18916 1 160 . 1 1 16 16 ILE HG13 H 1 0.913 . . 2 . . . A 16 ILE HG13 . 18916 1 161 . 1 1 16 16 ILE HG21 H 1 0.506 . . 1 . . . A 16 ILE HG21 . 18916 1 162 . 1 1 16 16 ILE HG22 H 1 0.506 . . 1 . . . A 16 ILE HG22 . 18916 1 163 . 1 1 16 16 ILE HG23 H 1 0.506 . . 1 . . . A 16 ILE HG23 . 18916 1 164 . 1 1 16 16 ILE HD11 H 1 0.593 . . 1 . . . A 16 ILE HD11 . 18916 1 165 . 1 1 16 16 ILE HD12 H 1 0.593 . . 1 . . . A 16 ILE HD12 . 18916 1 166 . 1 1 16 16 ILE HD13 H 1 0.593 . . 1 . . . A 16 ILE HD13 . 18916 1 167 . 1 1 16 16 ILE C C 13 173.895 . . 1 . . . A 16 ILE C . 18916 1 168 . 1 1 16 16 ILE CA C 13 59.688 . . 1 . . . A 16 ILE CA . 18916 1 169 . 1 1 16 16 ILE CB C 13 36.912 . . 1 . . . A 16 ILE CB . 18916 1 170 . 1 1 16 16 ILE CG1 C 13 27.984 . . 1 . . . A 16 ILE CG1 . 18916 1 171 . 1 1 16 16 ILE CG2 C 13 18.272 . . 1 . . . A 16 ILE CG2 . 18916 1 172 . 1 1 16 16 ILE CD1 C 13 15.116 . . 1 . . . A 16 ILE CD1 . 18916 1 173 . 1 1 16 16 ILE N N 15 128.262 . . 1 . . . A 16 ILE N . 18916 1 174 . 1 1 17 17 ASN H H 1 8.974 . . 1 . . . A 17 ASN H . 18916 1 175 . 1 1 17 17 ASN HA H 1 4.661 . . 1 . . . A 17 ASN HA . 18916 1 176 . 1 1 17 17 ASN HB2 H 1 2.711 . . 2 . . . A 17 ASN HB2 . 18916 1 177 . 1 1 17 17 ASN HB3 H 1 2.244 . . 2 . . . A 17 ASN HB3 . 18916 1 178 . 1 1 17 17 ASN HD21 H 1 7.494 . . 2 . . . A 17 ASN HD21 . 18916 1 179 . 1 1 17 17 ASN HD22 H 1 6.852 . . 2 . . . A 17 ASN HD22 . 18916 1 180 . 1 1 17 17 ASN C C 13 174.171 . . 1 . . . A 17 ASN C . 18916 1 181 . 1 1 17 17 ASN CA C 13 52.887 . . 1 . . . A 17 ASN CA . 18916 1 182 . 1 1 17 17 ASN CB C 13 42.944 . . 1 . . . A 17 ASN CB . 18916 1 183 . 1 1 17 17 ASN N N 15 126.842 . . 1 . . . A 17 ASN N . 18916 1 184 . 1 1 17 17 ASN ND2 N 15 111.441 . . 1 . . . A 17 ASN ND2 . 18916 1 185 . 1 1 18 18 GLY H H 1 8.727 . . 1 . . . A 18 GLY H . 18916 1 186 . 1 1 18 18 GLY HA2 H 1 3.997 . . 2 . . . A 18 GLY HA2 . 18916 1 187 . 1 1 18 18 GLY HA3 H 1 3.785 . . 2 . . . A 18 GLY HA3 . 18916 1 188 . 1 1 18 18 GLY C C 13 172.529 . . 1 . . . A 18 GLY C . 18916 1 189 . 1 1 18 18 GLY CA C 13 45.185 . . 1 . . . A 18 GLY CA . 18916 1 190 . 1 1 18 18 GLY N N 15 113.508 . . 1 . . . A 18 GLY N . 18916 1 191 . 1 1 19 19 TYR H H 1 8.651 . . 1 . . . A 19 TYR H . 18916 1 192 . 1 1 19 19 TYR HA H 1 4.450 . . 1 . . . A 19 TYR HA . 18916 1 193 . 1 1 19 19 TYR HB2 H 1 3.002 . . 1 . . . A 19 TYR HB2 . 18916 1 194 . 1 1 19 19 TYR HB3 H 1 2.898 . . 1 . . . A 19 TYR HB3 . 18916 1 195 . 1 1 19 19 TYR HD1 H 1 7.090 . . 1 . . . A 19 TYR HD1 . 18916 1 196 . 1 1 19 19 TYR HD2 H 1 7.090 . . 1 . . . A 19 TYR HD2 . 18916 1 197 . 1 1 19 19 TYR HE1 H 1 6.796 . . 1 . . . A 19 TYR HE1 . 18916 1 198 . 1 1 19 19 TYR HE2 H 1 6.796 . . 1 . . . A 19 TYR HE2 . 18916 1 199 . 1 1 19 19 TYR C C 13 176.147 . . 1 . . . A 19 TYR C . 18916 1 200 . 1 1 19 19 TYR CA C 13 58.982 . . 1 . . . A 19 TYR CA . 18916 1 201 . 1 1 19 19 TYR CB C 13 38.701 . . 1 . . . A 19 TYR CB . 18916 1 202 . 1 1 19 19 TYR CD2 C 13 133.067 . . 1 . . . A 19 TYR CD2 . 18916 1 203 . 1 1 19 19 TYR CE2 C 13 117.927 . . 1 . . . A 19 TYR CE2 . 18916 1 204 . 1 1 19 19 TYR N N 15 121.021 . . 1 . . . A 19 TYR N . 18916 1 205 . 1 1 20 20 THR H H 1 7.242 . . 1 . . . A 20 THR H . 18916 1 206 . 1 1 20 20 THR HA H 1 4.279 . . 1 . . . A 20 THR HA . 18916 1 207 . 1 1 20 20 THR HB H 1 3.815 . . 1 . . . A 20 THR HB . 18916 1 208 . 1 1 20 20 THR HG21 H 1 0.761 . . 1 . . . A 20 THR HG21 . 18916 1 209 . 1 1 20 20 THR HG22 H 1 0.761 . . 1 . . . A 20 THR HG22 . 18916 1 210 . 1 1 20 20 THR HG23 H 1 0.761 . . 1 . . . A 20 THR HG23 . 18916 1 211 . 1 1 20 20 THR C C 13 171.803 . . 1 . . . A 20 THR C . 18916 1 212 . 1 1 20 20 THR CA C 13 59.986 . . 1 . . . A 20 THR CA . 18916 1 213 . 1 1 20 20 THR CB C 13 73.362 . . 1 . . . A 20 THR CB . 18916 1 214 . 1 1 20 20 THR CG2 C 13 21.671 . . 1 . . . A 20 THR CG2 . 18916 1 215 . 1 1 20 20 THR N N 15 117.677 . . 1 . . . A 20 THR N . 18916 1 216 . 1 1 21 21 LYS H H 1 7.718 . . 1 . . . A 21 LYS H . 18916 1 217 . 1 1 21 21 LYS HA H 1 4.047 . . 1 . . . A 21 LYS HA . 18916 1 218 . 1 1 21 21 LYS HB2 H 1 1.670 . . 1 . . . A 21 LYS HB2 . 18916 1 219 . 1 1 21 21 LYS HB3 H 1 1.582 . . 1 . . . A 21 LYS HB3 . 18916 1 220 . 1 1 21 21 LYS HG2 H 1 1.194 . . 1 . . . A 21 LYS HG2 . 18916 1 221 . 1 1 21 21 LYS HG3 H 1 1.332 . . 1 . . . A 21 LYS HG3 . 18916 1 222 . 1 1 21 21 LYS HD2 H 1 1.655 . . 2 . . . A 21 LYS HD2 . 18916 1 223 . 1 1 21 21 LYS HD3 H 1 1.663 . . 2 . . . A 21 LYS HD3 . 18916 1 224 . 1 1 21 21 LYS HE2 H 1 2.962 . . 2 . . . A 21 LYS HE2 . 18916 1 225 . 1 1 21 21 LYS HE3 H 1 2.975 . . 2 . . . A 21 LYS HE3 . 18916 1 226 . 1 1 21 21 LYS CA C 13 54.030 . . 1 . . . A 21 LYS CA . 18916 1 227 . 1 1 21 21 LYS CB C 13 34.826 . . 1 . . . A 21 LYS CB . 18916 1 228 . 1 1 21 21 LYS CG C 13 24.585 . . 1 . . . A 21 LYS CG . 18916 1 229 . 1 1 21 21 LYS CD C 13 29.325 . . 1 . . . A 21 LYS CD . 18916 1 230 . 1 1 21 21 LYS CE C 13 42.009 . . 1 . . . A 21 LYS CE . 18916 1 231 . 1 1 21 21 LYS N N 15 120.592 . . 1 . . . A 21 LYS N . 18916 1 232 . 1 1 22 22 PRO HA H 1 4.590 . . 1 . . . A 22 PRO HA . 18916 1 233 . 1 1 22 22 PRO HB2 H 1 2.392 . . 1 . . . A 22 PRO HB2 . 18916 1 234 . 1 1 22 22 PRO HB3 H 1 1.705 . . 1 . . . A 22 PRO HB3 . 18916 1 235 . 1 1 22 22 PRO HG2 H 1 1.792 . . 1 . . . A 22 PRO HG2 . 18916 1 236 . 1 1 22 22 PRO HG3 H 1 1.490 . . 1 . . . A 22 PRO HG3 . 18916 1 237 . 1 1 22 22 PRO HD2 H 1 3.514 . . 1 . . . A 22 PRO HD2 . 18916 1 238 . 1 1 22 22 PRO HD3 H 1 3.113 . . 1 . . . A 22 PRO HD3 . 18916 1 239 . 1 1 22 22 PRO C C 13 175.043 . . 1 . . . A 22 PRO C . 18916 1 240 . 1 1 22 22 PRO CA C 13 62.948 . . 1 . . . A 22 PRO CA . 18916 1 241 . 1 1 22 22 PRO CB C 13 34.540 . . 1 . . . A 22 PRO CB . 18916 1 242 . 1 1 22 22 PRO CG C 13 25.556 . . 1 . . . A 22 PRO CG . 18916 1 243 . 1 1 22 22 PRO CD C 13 50.002 . . 1 . . . A 22 PRO CD . 18916 1 244 . 1 1 23 23 GLY H H 1 8.356 . . 1 . . . A 23 GLY H . 18916 1 245 . 1 1 23 23 GLY HA2 H 1 3.855 . . 1 . . . A 23 GLY HA2 . 18916 1 246 . 1 1 23 23 GLY HA3 H 1 3.821 . . 1 . . . A 23 GLY HA3 . 18916 1 247 . 1 1 23 23 GLY C C 13 172.762 . . 1 . . . A 23 GLY C . 18916 1 248 . 1 1 23 23 GLY CA C 13 44.880 . . 1 . . . A 23 GLY CA . 18916 1 249 . 1 1 23 23 GLY N N 15 105.352 . . 1 . . . A 23 GLY N . 18916 1 250 . 1 1 24 24 ARG H H 1 7.813 . . 1 . . . A 24 ARG H . 18916 1 251 . 1 1 24 24 ARG HA H 1 3.275 . . 1 . . . A 24 ARG HA . 18916 1 252 . 1 1 24 24 ARG HB2 H 1 1.692 . . 1 . . . A 24 ARG HB2 . 18916 1 253 . 1 1 24 24 ARG HB3 H 1 1.441 . . 1 . . . A 24 ARG HB3 . 18916 1 254 . 1 1 24 24 ARG HG2 H 1 0.950 . . 2 . . . A 24 ARG HG2 . 18916 1 255 . 1 1 24 24 ARG HG3 H 1 0.826 . . 2 . . . A 24 ARG HG3 . 18916 1 256 . 1 1 24 24 ARG HD2 H 1 3.112 . . 2 . . . A 24 ARG HD2 . 18916 1 257 . 1 1 24 24 ARG HD3 H 1 3.158 . . 2 . . . A 24 ARG HD3 . 18916 1 258 . 1 1 24 24 ARG C C 13 176.263 . . 1 . . . A 24 ARG C . 18916 1 259 . 1 1 24 24 ARG CA C 13 59.920 . . 1 . . . A 24 ARG CA . 18916 1 260 . 1 1 24 24 ARG CB C 13 30.331 . . 1 . . . A 24 ARG CB . 18916 1 261 . 1 1 24 24 ARG CG C 13 26.838 . . 1 . . . A 24 ARG CG . 18916 1 262 . 1 1 24 24 ARG CD C 13 43.284 . . 1 . . . A 24 ARG CD . 18916 1 263 . 1 1 24 24 ARG N N 15 119.274 . . 1 . . . A 24 ARG N . 18916 1 264 . 1 1 25 25 LEU H H 1 8.156 . . 1 . . . A 25 LEU H . 18916 1 265 . 1 1 25 25 LEU HA H 1 3.690 . . 1 . . . A 25 LEU HA . 18916 1 266 . 1 1 25 25 LEU HB2 H 1 1.566 . . 1 . . . A 25 LEU HB2 . 18916 1 267 . 1 1 25 25 LEU HB3 H 1 1.432 . . 1 . . . A 25 LEU HB3 . 18916 1 268 . 1 1 25 25 LEU HG H 1 1.584 . . 1 . . . A 25 LEU HG . 18916 1 269 . 1 1 25 25 LEU HD11 H 1 0.888 . . 2 . . . A 25 LEU HD11 . 18916 1 270 . 1 1 25 25 LEU HD12 H 1 0.888 . . 2 . . . A 25 LEU HD12 . 18916 1 271 . 1 1 25 25 LEU HD13 H 1 0.888 . . 2 . . . A 25 LEU HD13 . 18916 1 272 . 1 1 25 25 LEU HD21 H 1 0.816 . . 2 . . . A 25 LEU HD21 . 18916 1 273 . 1 1 25 25 LEU HD22 H 1 0.816 . . 2 . . . A 25 LEU HD22 . 18916 1 274 . 1 1 25 25 LEU HD23 H 1 0.816 . . 2 . . . A 25 LEU HD23 . 18916 1 275 . 1 1 25 25 LEU C C 13 179.562 . . 1 . . . A 25 LEU C . 18916 1 276 . 1 1 25 25 LEU CA C 13 58.391 . . 1 . . . A 25 LEU CA . 18916 1 277 . 1 1 25 25 LEU CB C 13 40.844 . . 1 . . . A 25 LEU CB . 18916 1 278 . 1 1 25 25 LEU CG C 13 27.171 . . 1 . . . A 25 LEU CG . 18916 1 279 . 1 1 25 25 LEU CD1 C 13 24.590 . . 1 . . . A 25 LEU CD1 . 18916 1 280 . 1 1 25 25 LEU CD2 C 13 23.788 . . 1 . . . A 25 LEU CD2 . 18916 1 281 . 1 1 25 25 LEU N N 15 116.403 . . 1 . . . A 25 LEU N . 18916 1 282 . 1 1 26 26 GLN H H 1 7.423 . . 1 . . . A 26 GLN H . 18916 1 283 . 1 1 26 26 GLN HA H 1 3.966 . . 1 . . . A 26 GLN HA . 18916 1 284 . 1 1 26 26 GLN HB2 H 1 2.145 . . 1 . . . A 26 GLN HB2 . 18916 1 285 . 1 1 26 26 GLN HB3 H 1 1.797 . . 1 . . . A 26 GLN HB3 . 18916 1 286 . 1 1 26 26 GLN HG2 H 1 2.378 . . 1 . . . A 26 GLN HG2 . 18916 1 287 . 1 1 26 26 GLN HG3 H 1 2.379 . . 1 . . . A 26 GLN HG3 . 18916 1 288 . 1 1 26 26 GLN HE21 H 1 7.538 . . 2 . . . A 26 GLN HE21 . 18916 1 289 . 1 1 26 26 GLN HE22 H 1 6.867 . . 2 . . . A 26 GLN HE22 . 18916 1 290 . 1 1 26 26 GLN C C 13 179.358 . . 1 . . . A 26 GLN C . 18916 1 291 . 1 1 26 26 GLN CA C 13 59.322 . . 1 . . . A 26 GLN CA . 18916 1 292 . 1 1 26 26 GLN CB C 13 28.057 . . 1 . . . A 26 GLN CB . 18916 1 293 . 1 1 26 26 GLN CG C 13 34.999 . . 1 . . . A 26 GLN CG . 18916 1 294 . 1 1 26 26 GLN N N 15 118.294 . . 1 . . . A 26 GLN N . 18916 1 295 . 1 1 26 26 GLN NE2 N 15 112.418 . . 1 . . . A 26 GLN NE2 . 18916 1 296 . 1 1 27 27 LEU H H 1 8.127 . . 1 . . . A 27 LEU H . 18916 1 297 . 1 1 27 27 LEU HA H 1 3.928 . . 1 . . . A 27 LEU HA . 18916 1 298 . 1 1 27 27 LEU HB2 H 1 1.678 . . 1 . . . A 27 LEU HB2 . 18916 1 299 . 1 1 27 27 LEU HB3 H 1 0.898 . . 1 . . . A 27 LEU HB3 . 18916 1 300 . 1 1 27 27 LEU HG H 1 0.623 . . 1 . . . A 27 LEU HG . 18916 1 301 . 1 1 27 27 LEU HD11 H 1 0.632 . . 2 . . . A 27 LEU HD11 . 18916 1 302 . 1 1 27 27 LEU HD12 H 1 0.632 . . 2 . . . A 27 LEU HD12 . 18916 1 303 . 1 1 27 27 LEU HD13 H 1 0.632 . . 2 . . . A 27 LEU HD13 . 18916 1 304 . 1 1 27 27 LEU HD21 H 1 0.624 . . 2 . . . A 27 LEU HD21 . 18916 1 305 . 1 1 27 27 LEU HD22 H 1 0.624 . . 2 . . . A 27 LEU HD22 . 18916 1 306 . 1 1 27 27 LEU HD23 H 1 0.624 . . 2 . . . A 27 LEU HD23 . 18916 1 307 . 1 1 27 27 LEU C C 13 178.777 . . 1 . . . A 27 LEU C . 18916 1 308 . 1 1 27 27 LEU CA C 13 58.024 . . 1 . . . A 27 LEU CA . 18916 1 309 . 1 1 27 27 LEU CB C 13 41.890 . . 1 . . . A 27 LEU CB . 18916 1 310 . 1 1 27 27 LEU CG C 13 27.141 . . 1 . . . A 27 LEU CG . 18916 1 311 . 1 1 27 27 LEU CD1 C 13 22.439 . . 1 . . . A 27 LEU CD1 . 18916 1 312 . 1 1 27 27 LEU CD2 C 13 22.498 . . 1 . . . A 27 LEU CD2 . 18916 1 313 . 1 1 27 27 LEU N N 15 119.419 . . 1 . . . A 27 LEU N . 18916 1 314 . 1 1 28 28 HIS H H 1 8.727 . . 1 . . . A 28 HIS H . 18916 1 315 . 1 1 28 28 HIS HA H 1 3.742 . . 1 . . . A 28 HIS HA . 18916 1 316 . 1 1 28 28 HIS HB2 H 1 2.753 . . 1 . . . A 28 HIS HB2 . 18916 1 317 . 1 1 28 28 HIS HB3 H 1 2.127 . . 1 . . . A 28 HIS HB3 . 18916 1 318 . 1 1 28 28 HIS HD2 H 1 5.728 . . 1 . . . A 28 HIS HD2 . 18916 1 319 . 1 1 28 28 HIS C C 13 177.121 . . 1 . . . A 28 HIS C . 18916 1 320 . 1 1 28 28 HIS CA C 13 57.798 . . 1 . . . A 28 HIS CA . 18916 1 321 . 1 1 28 28 HIS CB C 13 29.441 . . 1 . . . A 28 HIS CB . 18916 1 322 . 1 1 28 28 HIS CD2 C 13 120.612 . . 1 . . . A 28 HIS CD2 . 18916 1 323 . 1 1 28 28 HIS N N 15 118.332 . . 1 . . . A 28 HIS N . 18916 1 324 . 1 1 29 29 GLU H H 1 7.518 . . 1 . . . A 29 GLU H . 18916 1 325 . 1 1 29 29 GLU HA H 1 3.978 . . 1 . . . A 29 GLU HA . 18916 1 326 . 1 1 29 29 GLU HB2 H 1 2.102 . . 1 . . . A 29 GLU HB2 . 18916 1 327 . 1 1 29 29 GLU HB3 H 1 2.029 . . 1 . . . A 29 GLU HB3 . 18916 1 328 . 1 1 29 29 GLU HG2 H 1 2.406 . . 2 . . . A 29 GLU HG2 . 18916 1 329 . 1 1 29 29 GLU HG3 H 1 2.179 . . 2 . . . A 29 GLU HG3 . 18916 1 330 . 1 1 29 29 GLU C C 13 178.951 . . 1 . . . A 29 GLU C . 18916 1 331 . 1 1 29 29 GLU CA C 13 59.276 . . 1 . . . A 29 GLU CA . 18916 1 332 . 1 1 29 29 GLU CB C 13 29.684 . . 1 . . . A 29 GLU CB . 18916 1 333 . 1 1 29 29 GLU CG C 13 36.562 . . 1 . . . A 29 GLU CG . 18916 1 334 . 1 1 29 29 GLU N N 15 116.699 . . 1 . . . A 29 GLU N . 18916 1 335 . 1 1 30 30 MET H H 1 7.766 . . 1 . . . A 30 MET H . 18916 1 336 . 1 1 30 30 MET HA H 1 4.055 . . 1 . . . A 30 MET HA . 18916 1 337 . 1 1 30 30 MET HB2 H 1 2.205 . . 1 . . . A 30 MET HB2 . 18916 1 338 . 1 1 30 30 MET HB3 H 1 1.885 . . 1 . . . A 30 MET HB3 . 18916 1 339 . 1 1 30 30 MET HG2 H 1 2.783 . . 2 . . . A 30 MET HG2 . 18916 1 340 . 1 1 30 30 MET HG3 H 1 2.604 . . 2 . . . A 30 MET HG3 . 18916 1 341 . 1 1 30 30 MET HE1 H 1 0.574 . . 1 . . . A 30 MET HE1 . 18916 1 342 . 1 1 30 30 MET HE2 H 1 0.574 . . 1 . . . A 30 MET HE2 . 18916 1 343 . 1 1 30 30 MET HE3 H 1 0.574 . . 1 . . . A 30 MET HE3 . 18916 1 344 . 1 1 30 30 MET C C 13 177.992 . . 1 . . . A 30 MET C . 18916 1 345 . 1 1 30 30 MET CA C 13 60.040 . . 1 . . . A 30 MET CA . 18916 1 346 . 1 1 30 30 MET CB C 13 34.522 . . 1 . . . A 30 MET CB . 18916 1 347 . 1 1 30 30 MET CG C 13 33.100 . . 1 . . . A 30 MET CG . 18916 1 348 . 1 1 30 30 MET N N 15 118.090 . . 1 . . . A 30 MET N . 18916 1 349 . 1 1 31 31 ILE H H 1 8.337 . . 1 . . . A 31 ILE H . 18916 1 350 . 1 1 31 31 ILE HA H 1 3.252 . . 1 . . . A 31 ILE HA . 18916 1 351 . 1 1 31 31 ILE HB H 1 1.772 . . 1 . . . A 31 ILE HB . 18916 1 352 . 1 1 31 31 ILE HG12 H 1 0.156 . . 2 . . . A 31 ILE HG12 . 18916 1 353 . 1 1 31 31 ILE HG13 H 1 1.403 . . 2 . . . A 31 ILE HG13 . 18916 1 354 . 1 1 31 31 ILE HG21 H 1 0.494 . . 1 . . . A 31 ILE HG21 . 18916 1 355 . 1 1 31 31 ILE HG22 H 1 0.494 . . 1 . . . A 31 ILE HG22 . 18916 1 356 . 1 1 31 31 ILE HG23 H 1 0.494 . . 1 . . . A 31 ILE HG23 . 18916 1 357 . 1 1 31 31 ILE HD11 H 1 0.453 . . 1 . . . A 31 ILE HD11 . 18916 1 358 . 1 1 31 31 ILE HD12 H 1 0.453 . . 1 . . . A 31 ILE HD12 . 18916 1 359 . 1 1 31 31 ILE HD13 H 1 0.453 . . 1 . . . A 31 ILE HD13 . 18916 1 360 . 1 1 31 31 ILE C C 13 178.007 . . 1 . . . A 31 ILE C . 18916 1 361 . 1 1 31 31 ILE CA C 13 64.891 . . 1 . . . A 31 ILE CA . 18916 1 362 . 1 1 31 31 ILE CB C 13 38.182 . . 1 . . . A 31 ILE CB . 18916 1 363 . 1 1 31 31 ILE CG1 C 13 29.021 . . 1 . . . A 31 ILE CG1 . 18916 1 364 . 1 1 31 31 ILE CG2 C 13 17.391 . . 1 . . . A 31 ILE CG2 . 18916 1 365 . 1 1 31 31 ILE CD1 C 13 13.949 . . 1 . . . A 31 ILE CD1 . 18916 1 366 . 1 1 31 31 ILE N N 15 118.458 . . 1 . . . A 31 ILE N . 18916 1 367 . 1 1 32 32 VAL H H 1 7.888 . . 1 . . . A 32 VAL H . 18916 1 368 . 1 1 32 32 VAL HA H 1 4.003 . . 1 . . . A 32 VAL HA . 18916 1 369 . 1 1 32 32 VAL HB H 1 2.124 . . 1 . . . A 32 VAL HB . 18916 1 370 . 1 1 32 32 VAL HG11 H 1 1.247 . . 2 . . . A 32 VAL HG11 . 18916 1 371 . 1 1 32 32 VAL HG12 H 1 1.247 . . 2 . . . A 32 VAL HG12 . 18916 1 372 . 1 1 32 32 VAL HG13 H 1 1.247 . . 2 . . . A 32 VAL HG13 . 18916 1 373 . 1 1 32 32 VAL HG21 H 1 1.064 . . 2 . . . A 32 VAL HG21 . 18916 1 374 . 1 1 32 32 VAL HG22 H 1 1.064 . . 2 . . . A 32 VAL HG22 . 18916 1 375 . 1 1 32 32 VAL HG23 H 1 1.064 . . 2 . . . A 32 VAL HG23 . 18916 1 376 . 1 1 32 32 VAL C C 13 180.884 . . 1 . . . A 32 VAL C . 18916 1 377 . 1 1 32 32 VAL CA C 13 65.376 . . 1 . . . A 32 VAL CA . 18916 1 378 . 1 1 32 32 VAL CB C 13 31.997 . . 1 . . . A 32 VAL CB . 18916 1 379 . 1 1 32 32 VAL CG1 C 13 22.643 . . 1 . . . A 32 VAL CG1 . 18916 1 380 . 1 1 32 32 VAL CG2 C 13 21.427 . . 1 . . . A 32 VAL CG2 . 18916 1 381 . 1 1 32 32 VAL N N 15 117.878 . . 1 . . . A 32 VAL N . 18916 1 382 . 1 1 33 33 LEU H H 1 8.281 . . 1 . . . A 33 LEU H . 18916 1 383 . 1 1 33 33 LEU HA H 1 4.073 . . 1 . . . A 33 LEU HA . 18916 1 384 . 1 1 33 33 LEU HB2 H 1 1.667 . . 1 . . . A 33 LEU HB2 . 18916 1 385 . 1 1 33 33 LEU HB3 H 1 1.496 . . 1 . . . A 33 LEU HB3 . 18916 1 386 . 1 1 33 33 LEU HG H 1 1.219 . . 1 . . . A 33 LEU HG . 18916 1 387 . 1 1 33 33 LEU HD11 H 1 0.798 . . 2 . . . A 33 LEU HD11 . 18916 1 388 . 1 1 33 33 LEU HD12 H 1 0.798 . . 2 . . . A 33 LEU HD12 . 18916 1 389 . 1 1 33 33 LEU HD13 H 1 0.798 . . 2 . . . A 33 LEU HD13 . 18916 1 390 . 1 1 33 33 LEU HD21 H 1 0.803 . . 2 . . . A 33 LEU HD21 . 18916 1 391 . 1 1 33 33 LEU HD22 H 1 0.803 . . 2 . . . A 33 LEU HD22 . 18916 1 392 . 1 1 33 33 LEU HD23 H 1 0.803 . . 2 . . . A 33 LEU HD23 . 18916 1 393 . 1 1 33 33 LEU C C 13 177.498 . . 1 . . . A 33 LEU C . 18916 1 394 . 1 1 33 33 LEU CA C 13 57.662 . . 1 . . . A 33 LEU CA . 18916 1 395 . 1 1 33 33 LEU CB C 13 42.290 . . 1 . . . A 33 LEU CB . 18916 1 396 . 1 1 33 33 LEU CG C 13 26.877 . . 1 . . . A 33 LEU CG . 18916 1 397 . 1 1 33 33 LEU CD1 C 13 24.620 . . 1 . . . A 33 LEU CD1 . 18916 1 398 . 1 1 33 33 LEU CD2 C 13 24.064 . . 1 . . . A 33 LEU CD2 . 18916 1 399 . 1 1 33 33 LEU N N 15 123.609 . . 1 . . . A 33 LEU N . 18916 1 400 . 1 1 34 34 HIS H H 1 7.319 . . 1 . . . A 34 HIS H . 18916 1 401 . 1 1 34 34 HIS HA H 1 4.715 . . 1 . . . A 34 HIS HA . 18916 1 402 . 1 1 34 34 HIS HB2 H 1 3.382 . . 2 . . . A 34 HIS HB2 . 18916 1 403 . 1 1 34 34 HIS HB3 H 1 3.032 . . 2 . . . A 34 HIS HB3 . 18916 1 404 . 1 1 34 34 HIS C C 13 175.464 . . 1 . . . A 34 HIS C . 18916 1 405 . 1 1 34 34 HIS CA C 13 56.396 . . 1 . . . A 34 HIS CA . 18916 1 406 . 1 1 34 34 HIS CB C 13 29.768 . . 1 . . . A 34 HIS CB . 18916 1 407 . 1 1 34 34 HIS N N 15 113.272 . . 1 . . . A 34 HIS N . 18916 1 408 . 1 1 35 35 GLY H H 1 7.392 . . 1 . . . A 35 GLY H . 18916 1 409 . 1 1 35 35 GLY HA2 H 1 4.025 . . 2 . . . A 35 GLY HA2 . 18916 1 410 . 1 1 35 35 GLY HA3 H 1 3.951 . . 2 . . . A 35 GLY HA3 . 18916 1 411 . 1 1 35 35 GLY C C 13 174.985 . . 1 . . . A 35 GLY C . 18916 1 412 . 1 1 35 35 GLY CA C 13 47.314 . . 1 . . . A 35 GLY CA . 18916 1 413 . 1 1 35 35 GLY N N 15 104.307 . . 1 . . . A 35 GLY N . 18916 1 414 . 1 1 36 36 GLY H H 1 8.763 . . 1 . . . A 36 GLY H . 18916 1 415 . 1 1 36 36 GLY HA2 H 1 4.681 . . 1 . . . A 36 GLY HA2 . 18916 1 416 . 1 1 36 36 GLY HA3 H 1 3.199 . . 1 . . . A 36 GLY HA3 . 18916 1 417 . 1 1 36 36 GLY C C 13 171.701 . . 1 . . . A 36 GLY C . 18916 1 418 . 1 1 36 36 GLY CA C 13 44.392 . . 1 . . . A 36 GLY CA . 18916 1 419 . 1 1 36 36 GLY N N 15 108.630 . . 1 . . . A 36 GLY N . 18916 1 420 . 1 1 37 37 LYS H H 1 7.406 . . 1 . . . A 37 LYS H . 18916 1 421 . 1 1 37 37 LYS HA H 1 4.614 . . 1 . . . A 37 LYS HA . 18916 1 422 . 1 1 37 37 LYS HB2 H 1 1.759 . . 2 . . . A 37 LYS HB2 . 18916 1 423 . 1 1 37 37 LYS HB3 H 1 1.623 . . 2 . . . A 37 LYS HB3 . 18916 1 424 . 1 1 37 37 LYS HG2 H 1 1.419 . . 2 . . . A 37 LYS HG2 . 18916 1 425 . 1 1 37 37 LYS HG3 H 1 1.331 . . 2 . . . A 37 LYS HG3 . 18916 1 426 . 1 1 37 37 LYS HD2 H 1 1.633 . . 2 . . . A 37 LYS HD2 . 18916 1 427 . 1 1 37 37 LYS HD3 H 1 1.546 . . 2 . . . A 37 LYS HD3 . 18916 1 428 . 1 1 37 37 LYS HE2 H 1 2.888 . . 1 . . . A 37 LYS HE2 . 18916 1 429 . 1 1 37 37 LYS C C 13 174.302 . . 1 . . . A 37 LYS C . 18916 1 430 . 1 1 37 37 LYS CA C 13 54.319 . . 1 . . . A 37 LYS CA . 18916 1 431 . 1 1 37 37 LYS CB C 13 37.250 . . 1 . . . A 37 LYS CB . 18916 1 432 . 1 1 37 37 LYS CG C 13 25.526 . . 1 . . . A 37 LYS CG . 18916 1 433 . 1 1 37 37 LYS CD C 13 29.094 . . 1 . . . A 37 LYS CD . 18916 1 434 . 1 1 37 37 LYS CE C 13 42.202 . . 1 . . . A 37 LYS CE . 18916 1 435 . 1 1 37 37 LYS N N 15 115.119 . . 1 . . . A 37 LYS N . 18916 1 436 . 1 1 38 38 PHE H H 1 7.844 . . 1 . . . A 38 PHE H . 18916 1 437 . 1 1 38 38 PHE HA H 1 5.888 . . 1 . . . A 38 PHE HA . 18916 1 438 . 1 1 38 38 PHE HB2 H 1 2.744 . . 2 . . . A 38 PHE HB2 . 18916 1 439 . 1 1 38 38 PHE HB3 H 1 2.257 . . 2 . . . A 38 PHE HB3 . 18916 1 440 . 1 1 38 38 PHE HD1 H 1 6.191 . . 1 . . . A 38 PHE HD1 . 18916 1 441 . 1 1 38 38 PHE HD2 H 1 6.191 . . 1 . . . A 38 PHE HD2 . 18916 1 442 . 1 1 38 38 PHE HE1 H 1 6.693 . . 1 . . . A 38 PHE HE1 . 18916 1 443 . 1 1 38 38 PHE HE2 H 1 6.693 . . 1 . . . A 38 PHE HE2 . 18916 1 444 . 1 1 38 38 PHE C C 13 173.604 . . 1 . . . A 38 PHE C . 18916 1 445 . 1 1 38 38 PHE CA C 13 54.852 . . 1 . . . A 38 PHE CA . 18916 1 446 . 1 1 38 38 PHE CB C 13 43.379 . . 1 . . . A 38 PHE CB . 18916 1 447 . 1 1 38 38 PHE CD2 C 13 130.456 . . 1 . . . A 38 PHE CD2 . 18916 1 448 . 1 1 38 38 PHE CE2 C 13 130.456 . . 1 . . . A 38 PHE CE2 . 18916 1 449 . 1 1 38 38 PHE N N 15 117.196 . . 1 . . . A 38 PHE N . 18916 1 450 . 1 1 39 39 LEU H H 1 8.223 . . 1 . . . A 39 LEU H . 18916 1 451 . 1 1 39 39 LEU HA H 1 4.604 . . 1 . . . A 39 LEU HA . 18916 1 452 . 1 1 39 39 LEU HB2 H 1 1.570 . . 1 . . . A 39 LEU HB2 . 18916 1 453 . 1 1 39 39 LEU HB3 H 1 1.344 . . 1 . . . A 39 LEU HB3 . 18916 1 454 . 1 1 39 39 LEU HG H 1 1.267 . . 1 . . . A 39 LEU HG . 18916 1 455 . 1 1 39 39 LEU HD11 H 1 0.721 . . 2 . . . A 39 LEU HD11 . 18916 1 456 . 1 1 39 39 LEU HD12 H 1 0.721 . . 2 . . . A 39 LEU HD12 . 18916 1 457 . 1 1 39 39 LEU HD13 H 1 0.721 . . 2 . . . A 39 LEU HD13 . 18916 1 458 . 1 1 39 39 LEU HD21 H 1 0.749 . . 2 . . . A 39 LEU HD21 . 18916 1 459 . 1 1 39 39 LEU HD22 H 1 0.749 . . 2 . . . A 39 LEU HD22 . 18916 1 460 . 1 1 39 39 LEU HD23 H 1 0.749 . . 2 . . . A 39 LEU HD23 . 18916 1 461 . 1 1 39 39 LEU CA C 13 52.661 . . 1 . . . A 39 LEU CA . 18916 1 462 . 1 1 39 39 LEU CB C 13 45.901 . . 1 . . . A 39 LEU CB . 18916 1 463 . 1 1 39 39 LEU CG C 13 27.058 . . 1 . . . A 39 LEU CG . 18916 1 464 . 1 1 39 39 LEU CD1 C 13 26.215 . . 1 . . . A 39 LEU CD1 . 18916 1 465 . 1 1 39 39 LEU CD2 C 13 23.177 . . 1 . . . A 39 LEU CD2 . 18916 1 466 . 1 1 39 39 LEU N N 15 119.576 . . 1 . . . A 39 LEU N . 18916 1 467 . 1 1 40 40 HIS HA H 1 4.639 . . 1 . . . A 40 HIS HA . 18916 1 468 . 1 1 40 40 HIS HB2 H 1 3.158 . . 2 . . . A 40 HIS HB2 . 18916 1 469 . 1 1 40 40 HIS HB3 H 1 3.051 . . 2 . . . A 40 HIS HB3 . 18916 1 470 . 1 1 40 40 HIS HD2 H 1 7.105 . . 1 . . . A 40 HIS HD2 . 18916 1 471 . 1 1 40 40 HIS C C 13 174.694 . . 1 . . . A 40 HIS C . 18916 1 472 . 1 1 40 40 HIS CA C 13 58.670 . . 1 . . . A 40 HIS CA . 18916 1 473 . 1 1 40 40 HIS CB C 13 31.890 . . 1 . . . A 40 HIS CB . 18916 1 474 . 1 1 40 40 HIS CD2 C 13 119.381 . . 1 . . . A 40 HIS CD2 . 18916 1 475 . 1 1 41 41 TYR H H 1 7.363 . . 1 . . . A 41 TYR H . 18916 1 476 . 1 1 41 41 TYR HA H 1 4.660 . . 1 . . . A 41 TYR HA . 18916 1 477 . 1 1 41 41 TYR HB2 H 1 3.097 . . 2 . . . A 41 TYR HB2 . 18916 1 478 . 1 1 41 41 TYR HB3 H 1 2.807 . . 2 . . . A 41 TYR HB3 . 18916 1 479 . 1 1 41 41 TYR HD1 H 1 6.919 . . 1 . . . A 41 TYR HD1 . 18916 1 480 . 1 1 41 41 TYR HD2 H 1 6.919 . . 1 . . . A 41 TYR HD2 . 18916 1 481 . 1 1 41 41 TYR HE1 H 1 6.838 . . 1 . . . A 41 TYR HE1 . 18916 1 482 . 1 1 41 41 TYR HE2 H 1 6.838 . . 1 . . . A 41 TYR HE2 . 18916 1 483 . 1 1 41 41 TYR C C 13 173.023 . . 1 . . . A 41 TYR C . 18916 1 484 . 1 1 41 41 TYR CA C 13 55.898 . . 1 . . . A 41 TYR CA . 18916 1 485 . 1 1 41 41 TYR CB C 13 40.313 . . 1 . . . A 41 TYR CB . 18916 1 486 . 1 1 41 41 TYR CD1 C 13 133.746 . . 1 . . . A 41 TYR CD1 . 18916 1 487 . 1 1 41 41 TYR CE1 C 13 118.051 . . 1 . . . A 41 TYR CE1 . 18916 1 488 . 1 1 41 41 TYR N N 15 115.005 . . 1 . . . A 41 TYR N . 18916 1 489 . 1 1 42 42 LEU H H 1 8.252 . . 1 . . . A 42 LEU H . 18916 1 490 . 1 1 42 42 LEU HA H 1 3.888 . . 1 . . . A 42 LEU HA . 18916 1 491 . 1 1 42 42 LEU HB2 H 1 0.747 . . 2 . . . A 42 LEU HB2 . 18916 1 492 . 1 1 42 42 LEU HB3 H 1 1.288 . . 2 . . . A 42 LEU HB3 . 18916 1 493 . 1 1 42 42 LEU HG H 1 0.694 . . 1 . . . A 42 LEU HG . 18916 1 494 . 1 1 42 42 LEU HD11 H 1 0.405 . . 2 . . . A 42 LEU HD11 . 18916 1 495 . 1 1 42 42 LEU HD12 H 1 0.405 . . 2 . . . A 42 LEU HD12 . 18916 1 496 . 1 1 42 42 LEU HD13 H 1 0.405 . . 2 . . . A 42 LEU HD13 . 18916 1 497 . 1 1 42 42 LEU HD21 H 1 0.344 . . 2 . . . A 42 LEU HD21 . 18916 1 498 . 1 1 42 42 LEU HD22 H 1 0.344 . . 2 . . . A 42 LEU HD22 . 18916 1 499 . 1 1 42 42 LEU HD23 H 1 0.344 . . 2 . . . A 42 LEU HD23 . 18916 1 500 . 1 1 42 42 LEU CA C 13 54.041 . . 1 . . . A 42 LEU CA . 18916 1 501 . 1 1 42 42 LEU CB C 13 41.096 . . 1 . . . A 42 LEU CB . 18916 1 502 . 1 1 42 42 LEU CG C 13 26.343 . . 1 . . . A 42 LEU CG . 18916 1 503 . 1 1 42 42 LEU CD1 C 13 24.585 . . 1 . . . A 42 LEU CD1 . 18916 1 504 . 1 1 42 42 LEU CD2 C 13 24.362 . . 1 . . . A 42 LEU CD2 . 18916 1 505 . 1 1 42 42 LEU N N 15 121.687 . . 1 . . . A 42 LEU N . 18916 1 506 . 1 1 46 46 LYS HA H 1 4.234 . . 1 . . . A 46 LYS HA . 18916 1 507 . 1 1 46 46 LYS HB2 H 1 1.868 . . 2 . . . A 46 LYS HB2 . 18916 1 508 . 1 1 46 46 LYS HB3 H 1 1.658 . . 2 . . . A 46 LYS HB3 . 18916 1 509 . 1 1 46 46 LYS HG2 H 1 1.414 . . 2 . . . A 46 LYS HG2 . 18916 1 510 . 1 1 46 46 LYS HG3 H 1 1.317 . . 2 . . . A 46 LYS HG3 . 18916 1 511 . 1 1 46 46 LYS HD2 H 1 1.598 . . 1 . . . A 46 LYS HD2 . 18916 1 512 . 1 1 46 46 LYS HE2 H 1 2.910 . . 1 . . . A 46 LYS HE2 . 18916 1 513 . 1 1 46 46 LYS CA C 13 56.885 . . 1 . . . A 46 LYS CA . 18916 1 514 . 1 1 46 46 LYS CB C 13 32.542 . . 1 . . . A 46 LYS CB . 18916 1 515 . 1 1 46 46 LYS CG C 13 25.037 . . 1 . . . A 46 LYS CG . 18916 1 516 . 1 1 46 46 LYS CD C 13 28.838 . . 1 . . . A 46 LYS CD . 18916 1 517 . 1 1 46 46 LYS CE C 13 41.971 . . 1 . . . A 46 LYS CE . 18916 1 518 . 1 1 47 47 THR HA H 1 4.168 . . 1 . . . A 47 THR HA . 18916 1 519 . 1 1 47 47 THR HB H 1 4.016 . . 1 . . . A 47 THR HB . 18916 1 520 . 1 1 47 47 THR HG21 H 1 1.105 . . 1 . . . A 47 THR HG21 . 18916 1 521 . 1 1 47 47 THR HG22 H 1 1.105 . . 1 . . . A 47 THR HG22 . 18916 1 522 . 1 1 47 47 THR HG23 H 1 1.105 . . 1 . . . A 47 THR HG23 . 18916 1 523 . 1 1 47 47 THR C C 13 174.186 . . 1 . . . A 47 THR C . 18916 1 524 . 1 1 47 47 THR CA C 13 62.706 . . 1 . . . A 47 THR CA . 18916 1 525 . 1 1 47 47 THR CB C 13 69.762 . . 1 . . . A 47 THR CB . 18916 1 526 . 1 1 47 47 THR CG2 C 13 22.045 . . 1 . . . A 47 THR CG2 . 18916 1 527 . 1 1 48 48 VAL H H 1 7.771 . . 1 . . . A 48 VAL H . 18916 1 528 . 1 1 48 48 VAL HA H 1 3.843 . . 1 . . . A 48 VAL HA . 18916 1 529 . 1 1 48 48 VAL HB H 1 1.857 . . 1 . . . A 48 VAL HB . 18916 1 530 . 1 1 48 48 VAL HG11 H 1 0.757 . . 2 . . . A 48 VAL HG11 . 18916 1 531 . 1 1 48 48 VAL HG12 H 1 0.757 . . 2 . . . A 48 VAL HG12 . 18916 1 532 . 1 1 48 48 VAL HG13 H 1 0.757 . . 2 . . . A 48 VAL HG13 . 18916 1 533 . 1 1 48 48 VAL HG21 H 1 0.631 . . 2 . . . A 48 VAL HG21 . 18916 1 534 . 1 1 48 48 VAL HG22 H 1 0.631 . . 2 . . . A 48 VAL HG22 . 18916 1 535 . 1 1 48 48 VAL HG23 H 1 0.631 . . 2 . . . A 48 VAL HG23 . 18916 1 536 . 1 1 48 48 VAL C C 13 174.985 . . 1 . . . A 48 VAL C . 18916 1 537 . 1 1 48 48 VAL CA C 13 62.146 . . 1 . . . A 48 VAL CA . 18916 1 538 . 1 1 48 48 VAL CB C 13 33.167 . . 1 . . . A 48 VAL CB . 18916 1 539 . 1 1 48 48 VAL CG1 C 13 23.532 . . 1 . . . A 48 VAL CG1 . 18916 1 540 . 1 1 48 48 VAL CG2 C 13 21.429 . . 1 . . . A 48 VAL CG2 . 18916 1 541 . 1 1 48 48 VAL N N 15 123.218 . . 1 . . . A 48 VAL N . 18916 1 542 . 1 1 49 49 THR H H 1 9.798 . . 1 . . . A 49 THR H . 18916 1 543 . 1 1 49 49 THR HA H 1 4.319 . . 1 . . . A 49 THR HA . 18916 1 544 . 1 1 49 49 THR HB H 1 4.231 . . 1 . . . A 49 THR HB . 18916 1 545 . 1 1 49 49 THR HG21 H 1 1.364 . . 1 . . . A 49 THR HG21 . 18916 1 546 . 1 1 49 49 THR HG22 H 1 1.364 . . 1 . . . A 49 THR HG22 . 18916 1 547 . 1 1 49 49 THR HG23 H 1 1.364 . . 1 . . . A 49 THR HG23 . 18916 1 548 . 1 1 49 49 THR C C 13 176.118 . . 1 . . . A 49 THR C . 18916 1 549 . 1 1 49 49 THR CA C 13 62.831 . . 1 . . . A 49 THR CA . 18916 1 550 . 1 1 49 49 THR CB C 13 69.114 . . 1 . . . A 49 THR CB . 18916 1 551 . 1 1 49 49 THR CG2 C 13 20.565 . . 1 . . . A 49 THR CG2 . 18916 1 552 . 1 1 49 49 THR N N 15 116.982 . . 1 . . . A 49 THR N . 18916 1 553 . 1 1 50 50 HIS H H 1 7.596 . . 1 . . . A 50 HIS H . 18916 1 554 . 1 1 50 50 HIS HA H 1 4.916 . . 1 . . . A 50 HIS HA . 18916 1 555 . 1 1 50 50 HIS HB2 H 1 2.605 . . 2 . . . A 50 HIS HB2 . 18916 1 556 . 1 1 50 50 HIS HB3 H 1 2.428 . . 2 . . . A 50 HIS HB3 . 18916 1 557 . 1 1 50 50 HIS C C 13 172.849 . . 1 . . . A 50 HIS C . 18916 1 558 . 1 1 50 50 HIS CA C 13 56.654 . . 1 . . . A 50 HIS CA . 18916 1 559 . 1 1 50 50 HIS CB C 13 34.649 . . 1 . . . A 50 HIS CB . 18916 1 560 . 1 1 50 50 HIS N N 15 121.799 . . 1 . . . A 50 HIS N . 18916 1 561 . 1 1 51 51 ILE H H 1 8.996 . . 1 . . . A 51 ILE H . 18916 1 562 . 1 1 51 51 ILE HA H 1 4.980 . . 1 . . . A 51 ILE HA . 18916 1 563 . 1 1 51 51 ILE HB H 1 1.612 . . 1 . . . A 51 ILE HB . 18916 1 564 . 1 1 51 51 ILE HG12 H 1 0.983 . . 1 . . . A 51 ILE HG12 . 18916 1 565 . 1 1 51 51 ILE HG13 H 1 0.728 . . 1 . . . A 51 ILE HG13 . 18916 1 566 . 1 1 51 51 ILE HG21 H 1 0.469 . . 1 . . . A 51 ILE HG21 . 18916 1 567 . 1 1 51 51 ILE HG22 H 1 0.469 . . 1 . . . A 51 ILE HG22 . 18916 1 568 . 1 1 51 51 ILE HG23 H 1 0.469 . . 1 . . . A 51 ILE HG23 . 18916 1 569 . 1 1 51 51 ILE HD11 H 1 -0.292 . . 1 . . . A 51 ILE HD11 . 18916 1 570 . 1 1 51 51 ILE HD12 H 1 -0.292 . . 1 . . . A 51 ILE HD12 . 18916 1 571 . 1 1 51 51 ILE HD13 H 1 -0.292 . . 1 . . . A 51 ILE HD13 . 18916 1 572 . 1 1 51 51 ILE C C 13 174.505 . . 1 . . . A 51 ILE C . 18916 1 573 . 1 1 51 51 ILE CA C 13 58.967 . . 1 . . . A 51 ILE CA . 18916 1 574 . 1 1 51 51 ILE CB C 13 39.153 . . 1 . . . A 51 ILE CB . 18916 1 575 . 1 1 51 51 ILE CG1 C 13 27.806 . . 1 . . . A 51 ILE CG1 . 18916 1 576 . 1 1 51 51 ILE CG2 C 13 16.157 . . 1 . . . A 51 ILE CG2 . 18916 1 577 . 1 1 51 51 ILE CD1 C 13 12.456 . . 1 . . . A 51 ILE CD1 . 18916 1 578 . 1 1 51 51 ILE N N 15 123.013 . . 1 . . . A 51 ILE N . 18916 1 579 . 1 1 52 52 VAL H H 1 8.821 . . 1 . . . A 52 VAL H . 18916 1 580 . 1 1 52 52 VAL HA H 1 5.302 . . 1 . . . A 52 VAL HA . 18916 1 581 . 1 1 52 52 VAL HB H 1 1.658 . . 1 . . . A 52 VAL HB . 18916 1 582 . 1 1 52 52 VAL HG11 H 1 0.817 . . 2 . . . A 52 VAL HG11 . 18916 1 583 . 1 1 52 52 VAL HG12 H 1 0.817 . . 2 . . . A 52 VAL HG12 . 18916 1 584 . 1 1 52 52 VAL HG13 H 1 0.817 . . 2 . . . A 52 VAL HG13 . 18916 1 585 . 1 1 52 52 VAL HG21 H 1 0.747 . . 2 . . . A 52 VAL HG21 . 18916 1 586 . 1 1 52 52 VAL HG22 H 1 0.747 . . 2 . . . A 52 VAL HG22 . 18916 1 587 . 1 1 52 52 VAL HG23 H 1 0.747 . . 2 . . . A 52 VAL HG23 . 18916 1 588 . 1 1 52 52 VAL C C 13 174.084 . . 1 . . . A 52 VAL C . 18916 1 589 . 1 1 52 52 VAL CA C 13 59.207 . . 1 . . . A 52 VAL CA . 18916 1 590 . 1 1 52 52 VAL CB C 13 33.259 . . 1 . . . A 52 VAL CB . 18916 1 591 . 1 1 52 52 VAL CG1 C 13 21.758 . . 1 . . . A 52 VAL CG1 . 18916 1 592 . 1 1 52 52 VAL CG2 C 13 21.600 . . 1 . . . A 52 VAL CG2 . 18916 1 593 . 1 1 52 52 VAL N N 15 127.413 . . 1 . . . A 52 VAL N . 18916 1 594 . 1 1 53 53 ALA H H 1 8.967 . . 1 . . . A 53 ALA H . 18916 1 595 . 1 1 53 53 ALA HA H 1 4.622 . . 1 . . . A 53 ALA HA . 18916 1 596 . 1 1 53 53 ALA HB1 H 1 1.319 . . 1 . . . A 53 ALA HB1 . 18916 1 597 . 1 1 53 53 ALA HB2 H 1 1.319 . . 1 . . . A 53 ALA HB2 . 18916 1 598 . 1 1 53 53 ALA HB3 H 1 1.319 . . 1 . . . A 53 ALA HB3 . 18916 1 599 . 1 1 53 53 ALA C C 13 174.680 . . 1 . . . A 53 ALA C . 18916 1 600 . 1 1 53 53 ALA CA C 13 50.910 . . 1 . . . A 53 ALA CA . 18916 1 601 . 1 1 53 53 ALA CB C 13 23.160 . . 1 . . . A 53 ALA CB . 18916 1 602 . 1 1 53 53 ALA N N 15 127.601 . . 1 . . . A 53 ALA N . 18916 1 603 . 1 1 54 54 SER H H 1 9.303 . . 1 . . . A 54 SER H . 18916 1 604 . 1 1 54 54 SER HA H 1 4.657 . . 1 . . . A 54 SER HA . 18916 1 605 . 1 1 54 54 SER HB2 H 1 3.989 . . 2 . . . A 54 SER HB2 . 18916 1 606 . 1 1 54 54 SER HB3 H 1 3.903 . . 2 . . . A 54 SER HB3 . 18916 1 607 . 1 1 54 54 SER C C 13 174.229 . . 1 . . . A 54 SER C . 18916 1 608 . 1 1 54 54 SER CA C 13 59.671 . . 1 . . . A 54 SER CA . 18916 1 609 . 1 1 54 54 SER CB C 13 64.852 . . 1 . . . A 54 SER CB . 18916 1 610 . 1 1 54 54 SER N N 15 113.005 . . 1 . . . A 54 SER N . 18916 1 611 . 1 1 55 55 ASN H H 1 7.917 . . 1 . . . A 55 ASN H . 18916 1 612 . 1 1 55 55 ASN HA H 1 4.601 . . 1 . . . A 55 ASN HA . 18916 1 613 . 1 1 55 55 ASN HB2 H 1 2.818 . . 2 . . . A 55 ASN HB2 . 18916 1 614 . 1 1 55 55 ASN HB3 H 1 2.725 . . 2 . . . A 55 ASN HB3 . 18916 1 615 . 1 1 55 55 ASN HD21 H 1 7.669 . . 2 . . . A 55 ASN HD21 . 18916 1 616 . 1 1 55 55 ASN HD22 H 1 6.925 . . 2 . . . A 55 ASN HD22 . 18916 1 617 . 1 1 55 55 ASN C C 13 173.052 . . 1 . . . A 55 ASN C . 18916 1 618 . 1 1 55 55 ASN CA C 13 53.125 . . 1 . . . A 55 ASN CA . 18916 1 619 . 1 1 55 55 ASN CB C 13 40.610 . . 1 . . . A 55 ASN CB . 18916 1 620 . 1 1 55 55 ASN N N 15 117.475 . . 1 . . . A 55 ASN N . 18916 1 621 . 1 1 55 55 ASN ND2 N 15 114.006 . . 1 . . . A 55 ASN ND2 . 18916 1 622 . 1 1 56 56 LEU H H 1 8.792 . . 1 . . . A 56 LEU H . 18916 1 623 . 1 1 56 56 LEU HA H 1 4.800 . . 1 . . . A 56 LEU HA . 18916 1 624 . 1 1 56 56 LEU HB2 H 1 1.553 . . 1 . . . A 56 LEU HB2 . 18916 1 625 . 1 1 56 56 LEU HB3 H 1 1.311 . . 1 . . . A 56 LEU HB3 . 18916 1 626 . 1 1 56 56 LEU HG H 1 1.427 . . 1 . . . A 56 LEU HG . 18916 1 627 . 1 1 56 56 LEU HD11 H 1 0.874 . . 2 . . . A 56 LEU HD11 . 18916 1 628 . 1 1 56 56 LEU HD12 H 1 0.874 . . 2 . . . A 56 LEU HD12 . 18916 1 629 . 1 1 56 56 LEU HD13 H 1 0.874 . . 2 . . . A 56 LEU HD13 . 18916 1 630 . 1 1 56 56 LEU HD21 H 1 0.866 . . 2 . . . A 56 LEU HD21 . 18916 1 631 . 1 1 56 56 LEU HD22 H 1 0.866 . . 2 . . . A 56 LEU HD22 . 18916 1 632 . 1 1 56 56 LEU HD23 H 1 0.866 . . 2 . . . A 56 LEU HD23 . 18916 1 633 . 1 1 56 56 LEU CA C 13 51.905 . . 1 . . . A 56 LEU CA . 18916 1 634 . 1 1 56 56 LEU CB C 13 44.592 . . 1 . . . A 56 LEU CB . 18916 1 635 . 1 1 56 56 LEU CG C 13 26.042 . . 1 . . . A 56 LEU CG . 18916 1 636 . 1 1 56 56 LEU CD1 C 13 25.594 . . 1 . . . A 56 LEU CD1 . 18916 1 637 . 1 1 56 56 LEU CD2 C 13 25.498 . . 1 . . . A 56 LEU CD2 . 18916 1 638 . 1 1 56 56 LEU N N 15 122.146 . . 1 . . . A 56 LEU N . 18916 1 639 . 1 1 57 57 PRO HA H 1 4.565 . . 1 . . . A 57 PRO HA . 18916 1 640 . 1 1 57 57 PRO HB2 H 1 2.456 . . 1 . . . A 57 PRO HB2 . 18916 1 641 . 1 1 57 57 PRO HB3 H 1 1.893 . . 1 . . . A 57 PRO HB3 . 18916 1 642 . 1 1 57 57 PRO HG2 H 1 2.081 . . 2 . . . A 57 PRO HG2 . 18916 1 643 . 1 1 57 57 PRO HG3 H 1 1.938 . . 2 . . . A 57 PRO HG3 . 18916 1 644 . 1 1 57 57 PRO HD2 H 1 3.904 . . 1 . . . A 57 PRO HD2 . 18916 1 645 . 1 1 57 57 PRO HD3 H 1 3.422 . . 1 . . . A 57 PRO HD3 . 18916 1 646 . 1 1 57 57 PRO CA C 13 62.190 . . 1 . . . A 57 PRO CA . 18916 1 647 . 1 1 57 57 PRO CB C 13 32.499 . . 1 . . . A 57 PRO CB . 18916 1 648 . 1 1 57 57 PRO CG C 13 27.499 . . 1 . . . A 57 PRO CG . 18916 1 649 . 1 1 57 57 PRO CD C 13 50.808 . . 1 . . . A 57 PRO CD . 18916 1 650 . 1 1 58 58 LEU HA H 1 3.920 . . 1 . . . A 58 LEU HA . 18916 1 651 . 1 1 58 58 LEU HB2 H 1 1.687 . . 2 . . . A 58 LEU HB2 . 18916 1 652 . 1 1 58 58 LEU HB3 H 1 1.673 . . 2 . . . A 58 LEU HB3 . 18916 1 653 . 1 1 58 58 LEU HG H 1 1.621 . . 1 . . . A 58 LEU HG . 18916 1 654 . 1 1 58 58 LEU HD11 H 1 0.899 . . 2 . . . A 58 LEU HD11 . 18916 1 655 . 1 1 58 58 LEU HD12 H 1 0.899 . . 2 . . . A 58 LEU HD12 . 18916 1 656 . 1 1 58 58 LEU HD13 H 1 0.899 . . 2 . . . A 58 LEU HD13 . 18916 1 657 . 1 1 58 58 LEU HD21 H 1 0.941 . . 2 . . . A 58 LEU HD21 . 18916 1 658 . 1 1 58 58 LEU HD22 H 1 0.941 . . 2 . . . A 58 LEU HD22 . 18916 1 659 . 1 1 58 58 LEU HD23 H 1 0.941 . . 2 . . . A 58 LEU HD23 . 18916 1 660 . 1 1 58 58 LEU C C 13 178.806 . . 1 . . . A 58 LEU C . 18916 1 661 . 1 1 58 58 LEU CA C 13 59.172 . . 1 . . . A 58 LEU CA . 18916 1 662 . 1 1 58 58 LEU CB C 13 41.589 . . 1 . . . A 58 LEU CB . 18916 1 663 . 1 1 58 58 LEU CG C 13 26.955 . . 1 . . . A 58 LEU CG . 18916 1 664 . 1 1 58 58 LEU CD1 C 13 24.662 . . 1 . . . A 58 LEU CD1 . 18916 1 665 . 1 1 58 58 LEU CD2 C 13 23.702 . . 1 . . . A 58 LEU CD2 . 18916 1 666 . 1 1 59 59 LYS H H 1 8.763 . . 1 . . . A 59 LYS H . 18916 1 667 . 1 1 59 59 LYS HA H 1 3.972 . . 1 . . . A 59 LYS HA . 18916 1 668 . 1 1 59 59 LYS HB2 H 1 1.801 . . 2 . . . A 59 LYS HB2 . 18916 1 669 . 1 1 59 59 LYS HB3 H 1 1.730 . . 2 . . . A 59 LYS HB3 . 18916 1 670 . 1 1 59 59 LYS HG2 H 1 1.438 . . 2 . . . A 59 LYS HG2 . 18916 1 671 . 1 1 59 59 LYS HG3 H 1 1.364 . . 2 . . . A 59 LYS HG3 . 18916 1 672 . 1 1 59 59 LYS HD2 H 1 1.652 . . 2 . . . A 59 LYS HD2 . 18916 1 673 . 1 1 59 59 LYS HD3 H 1 1.654 . . 2 . . . A 59 LYS HD3 . 18916 1 674 . 1 1 59 59 LYS HE2 H 1 2.941 . . 1 . . . A 59 LYS HE2 . 18916 1 675 . 1 1 59 59 LYS HE3 H 1 2.942 . . 1 . . . A 59 LYS HE3 . 18916 1 676 . 1 1 59 59 LYS C C 13 179.053 . . 1 . . . A 59 LYS C . 18916 1 677 . 1 1 59 59 LYS CA C 13 59.524 . . 1 . . . A 59 LYS CA . 18916 1 678 . 1 1 59 59 LYS CB C 13 32.411 . . 1 . . . A 59 LYS CB . 18916 1 679 . 1 1 59 59 LYS CG C 13 25.307 . . 1 . . . A 59 LYS CG . 18916 1 680 . 1 1 59 59 LYS CD C 13 29.445 . . 1 . . . A 59 LYS CD . 18916 1 681 . 1 1 59 59 LYS CE C 13 41.909 . . 1 . . . A 59 LYS CE . 18916 1 682 . 1 1 59 59 LYS N N 15 115.039 . . 1 . . . A 59 LYS N . 18916 1 683 . 1 1 60 60 LYS H H 1 7.158 . . 1 . . . A 60 LYS H . 18916 1 684 . 1 1 60 60 LYS HA H 1 3.960 . . 1 . . . A 60 LYS HA . 18916 1 685 . 1 1 60 60 LYS HB2 H 1 1.638 . . 1 . . . A 60 LYS HB2 . 18916 1 686 . 1 1 60 60 LYS HB3 H 1 1.396 . . 1 . . . A 60 LYS HB3 . 18916 1 687 . 1 1 60 60 LYS HG2 H 1 1.362 . . 2 . . . A 60 LYS HG2 . 18916 1 688 . 1 1 60 60 LYS HG3 H 1 1.246 . . 2 . . . A 60 LYS HG3 . 18916 1 689 . 1 1 60 60 LYS HD2 H 1 1.415 . . 2 . . . A 60 LYS HD2 . 18916 1 690 . 1 1 60 60 LYS HD3 H 1 1.289 . . 2 . . . A 60 LYS HD3 . 18916 1 691 . 1 1 60 60 LYS HE2 H 1 2.805 . . 2 . . . A 60 LYS HE2 . 18916 1 692 . 1 1 60 60 LYS HE3 H 1 2.802 . . 2 . . . A 60 LYS HE3 . 18916 1 693 . 1 1 60 60 LYS C C 13 176.874 . . 1 . . . A 60 LYS C . 18916 1 694 . 1 1 60 60 LYS CA C 13 55.721 . . 1 . . . A 60 LYS CA . 18916 1 695 . 1 1 60 60 LYS CB C 13 31.933 . . 1 . . . A 60 LYS CB . 18916 1 696 . 1 1 60 60 LYS CG C 13 24.261 . . 1 . . . A 60 LYS CG . 18916 1 697 . 1 1 60 60 LYS CD C 13 27.671 . . 1 . . . A 60 LYS CD . 18916 1 698 . 1 1 60 60 LYS CE C 13 41.911 . . 1 . . . A 60 LYS CE . 18916 1 699 . 1 1 60 60 LYS N N 15 116.433 . . 1 . . . A 60 LYS N . 18916 1 700 . 1 1 61 61 ARG H H 1 7.902 . . 1 . . . A 61 ARG H . 18916 1 701 . 1 1 61 61 ARG HA H 1 3.824 . . 1 . . . A 61 ARG HA . 18916 1 702 . 1 1 61 61 ARG HB2 H 1 1.934 . . 2 . . . A 61 ARG HB2 . 18916 1 703 . 1 1 61 61 ARG HB3 H 1 1.891 . . 2 . . . A 61 ARG HB3 . 18916 1 704 . 1 1 61 61 ARG HG2 H 1 1.694 . . 2 . . . A 61 ARG HG2 . 18916 1 705 . 1 1 61 61 ARG HG3 H 1 1.532 . . 2 . . . A 61 ARG HG3 . 18916 1 706 . 1 1 61 61 ARG HD2 H 1 3.257 . . 2 . . . A 61 ARG HD2 . 18916 1 707 . 1 1 61 61 ARG HD3 H 1 3.134 . . 2 . . . A 61 ARG HD3 . 18916 1 708 . 1 1 61 61 ARG C C 13 179.213 . . 1 . . . A 61 ARG C . 18916 1 709 . 1 1 61 61 ARG CA C 13 59.814 . . 1 . . . A 61 ARG CA . 18916 1 710 . 1 1 61 61 ARG CB C 13 29.870 . . 1 . . . A 61 ARG CB . 18916 1 711 . 1 1 61 61 ARG CG C 13 28.227 . . 1 . . . A 61 ARG CG . 18916 1 712 . 1 1 61 61 ARG CD C 13 43.725 . . 1 . . . A 61 ARG CD . 18916 1 713 . 1 1 61 61 ARG N N 15 120.369 . . 1 . . . A 61 ARG N . 18916 1 714 . 1 1 62 62 ILE H H 1 7.727 . . 1 . . . A 62 ILE H . 18916 1 715 . 1 1 62 62 ILE HA H 1 3.808 . . 1 . . . A 62 ILE HA . 18916 1 716 . 1 1 62 62 ILE HB H 1 1.811 . . 1 . . . A 62 ILE HB . 18916 1 717 . 1 1 62 62 ILE HG12 H 1 1.602 . . 2 . . . A 62 ILE HG12 . 18916 1 718 . 1 1 62 62 ILE HG13 H 1 1.158 . . 2 . . . A 62 ILE HG13 . 18916 1 719 . 1 1 62 62 ILE HG21 H 1 0.869 . . 1 . . . A 62 ILE HG21 . 18916 1 720 . 1 1 62 62 ILE HG22 H 1 0.869 . . 1 . . . A 62 ILE HG22 . 18916 1 721 . 1 1 62 62 ILE HG23 H 1 0.869 . . 1 . . . A 62 ILE HG23 . 18916 1 722 . 1 1 62 62 ILE HD11 H 1 0.811 . . 1 . . . A 62 ILE HD11 . 18916 1 723 . 1 1 62 62 ILE HD12 H 1 0.811 . . 1 . . . A 62 ILE HD12 . 18916 1 724 . 1 1 62 62 ILE HD13 H 1 0.811 . . 1 . . . A 62 ILE HD13 . 18916 1 725 . 1 1 62 62 ILE C C 13 178.966 . . 1 . . . A 62 ILE C . 18916 1 726 . 1 1 62 62 ILE CA C 13 64.162 . . 1 . . . A 62 ILE CA . 18916 1 727 . 1 1 62 62 ILE CB C 13 38.019 . . 1 . . . A 62 ILE CB . 18916 1 728 . 1 1 62 62 ILE CG1 C 13 28.470 . . 1 . . . A 62 ILE CG1 . 18916 1 729 . 1 1 62 62 ILE CG2 C 13 17.301 . . 1 . . . A 62 ILE CG2 . 18916 1 730 . 1 1 62 62 ILE CD1 C 13 12.783 . . 1 . . . A 62 ILE CD1 . 18916 1 731 . 1 1 62 62 ILE N N 15 117.956 . . 1 . . . A 62 ILE N . 18916 1 732 . 1 1 63 63 GLU H H 1 7.713 . . 1 . . . A 63 GLU H . 18916 1 733 . 1 1 63 63 GLU HA H 1 3.950 . . 1 . . . A 63 GLU HA . 18916 1 734 . 1 1 63 63 GLU HB2 H 1 1.839 . . 2 . . . A 63 GLU HB2 . 18916 1 735 . 1 1 63 63 GLU HB3 H 1 1.639 . . 2 . . . A 63 GLU HB3 . 18916 1 736 . 1 1 63 63 GLU HG2 H 1 2.274 . . 2 . . . A 63 GLU HG2 . 18916 1 737 . 1 1 63 63 GLU HG3 H 1 2.045 . . 2 . . . A 63 GLU HG3 . 18916 1 738 . 1 1 63 63 GLU C C 13 178.792 . . 1 . . . A 63 GLU C . 18916 1 739 . 1 1 63 63 GLU CA C 13 59.302 . . 1 . . . A 63 GLU CA . 18916 1 740 . 1 1 63 63 GLU CB C 13 29.822 . . 1 . . . A 63 GLU CB . 18916 1 741 . 1 1 63 63 GLU CG C 13 35.764 . . 1 . . . A 63 GLU CG . 18916 1 742 . 1 1 63 63 GLU N N 15 121.877 . . 1 . . . A 63 GLU N . 18916 1 743 . 1 1 64 64 PHE H H 1 8.077 . . 1 . . . A 64 PHE H . 18916 1 744 . 1 1 64 64 PHE HA H 1 5.078 . . 1 . . . A 64 PHE HA . 18916 1 745 . 1 1 64 64 PHE HB2 H 1 3.553 . . 1 . . . A 64 PHE HB2 . 18916 1 746 . 1 1 64 64 PHE HB3 H 1 2.959 . . 1 . . . A 64 PHE HB3 . 18916 1 747 . 1 1 64 64 PHE HD1 H 1 6.846 . . 1 . . . A 64 PHE HD1 . 18916 1 748 . 1 1 64 64 PHE HD2 H 1 6.846 . . 1 . . . A 64 PHE HD2 . 18916 1 749 . 1 1 64 64 PHE HE1 H 1 7.083 . . 1 . . . A 64 PHE HE1 . 18916 1 750 . 1 1 64 64 PHE HE2 H 1 7.083 . . 1 . . . A 64 PHE HE2 . 18916 1 751 . 1 1 64 64 PHE HZ H 1 7.200 . . 1 . . . A 64 PHE HZ . 18916 1 752 . 1 1 64 64 PHE C C 13 175.886 . . 1 . . . A 64 PHE C . 18916 1 753 . 1 1 64 64 PHE CA C 13 53.859 . . 1 . . . A 64 PHE CA . 18916 1 754 . 1 1 64 64 PHE CB C 13 37.431 . . 1 . . . A 64 PHE CB . 18916 1 755 . 1 1 64 64 PHE CD2 C 13 129.819 . . 1 . . . A 64 PHE CD2 . 18916 1 756 . 1 1 64 64 PHE CE2 C 13 130.971 . . 1 . . . A 64 PHE CE2 . 18916 1 757 . 1 1 64 64 PHE CZ C 13 128.801 . . 1 . . . A 64 PHE CZ . 18916 1 758 . 1 1 64 64 PHE N N 15 115.684 . . 1 . . . A 64 PHE N . 18916 1 759 . 1 1 65 65 ALA H H 1 7.290 . . 1 . . . A 65 ALA H . 18916 1 760 . 1 1 65 65 ALA HA H 1 4.164 . . 1 . . . A 65 ALA HA . 18916 1 761 . 1 1 65 65 ALA HB1 H 1 1.523 . . 1 . . . A 65 ALA HB1 . 18916 1 762 . 1 1 65 65 ALA HB2 H 1 1.523 . . 1 . . . A 65 ALA HB2 . 18916 1 763 . 1 1 65 65 ALA HB3 H 1 1.523 . . 1 . . . A 65 ALA HB3 . 18916 1 764 . 1 1 65 65 ALA C C 13 178.356 . . 1 . . . A 65 ALA C . 18916 1 765 . 1 1 65 65 ALA CA C 13 55.421 . . 1 . . . A 65 ALA CA . 18916 1 766 . 1 1 65 65 ALA CB C 13 19.243 . . 1 . . . A 65 ALA CB . 18916 1 767 . 1 1 65 65 ALA N N 15 122.616 . . 1 . . . A 65 ALA N . 18916 1 768 . 1 1 66 66 ASN H H 1 8.602 . . 1 . . . A 66 ASN H . 18916 1 769 . 1 1 66 66 ASN HA H 1 4.605 . . 1 . . . A 66 ASN HA . 18916 1 770 . 1 1 66 66 ASN HB2 H 1 2.626 . . 2 . . . A 66 ASN HB2 . 18916 1 771 . 1 1 66 66 ASN HB3 H 1 2.353 . . 2 . . . A 66 ASN HB3 . 18916 1 772 . 1 1 66 66 ASN HD21 H 1 7.363 . . 2 . . . A 66 ASN HD21 . 18916 1 773 . 1 1 66 66 ASN HD22 H 1 6.823 . . 2 . . . A 66 ASN HD22 . 18916 1 774 . 1 1 66 66 ASN C C 13 174.374 . . 1 . . . A 66 ASN C . 18916 1 775 . 1 1 66 66 ASN CA C 13 53.354 . . 1 . . . A 66 ASN CA . 18916 1 776 . 1 1 66 66 ASN CB C 13 37.919 . . 1 . . . A 66 ASN CB . 18916 1 777 . 1 1 66 66 ASN N N 15 112.567 . . 1 . . . A 66 ASN N . 18916 1 778 . 1 1 66 66 ASN ND2 N 15 112.785 . . 1 . . . A 66 ASN ND2 . 18916 1 779 . 1 1 67 67 TYR H H 1 7.873 . . 1 . . . A 67 TYR H . 18916 1 780 . 1 1 67 67 TYR HA H 1 4.528 . . 1 . . . A 67 TYR HA . 18916 1 781 . 1 1 67 67 TYR HB2 H 1 2.619 . . 1 . . . A 67 TYR HB2 . 18916 1 782 . 1 1 67 67 TYR HB3 H 1 2.565 . . 1 . . . A 67 TYR HB3 . 18916 1 783 . 1 1 67 67 TYR HD1 H 1 6.791 . . 1 . . . A 67 TYR HD1 . 18916 1 784 . 1 1 67 67 TYR HD2 H 1 6.791 . . 1 . . . A 67 TYR HD2 . 18916 1 785 . 1 1 67 67 TYR HE1 H 1 6.749 . . 1 . . . A 67 TYR HE1 . 18916 1 786 . 1 1 67 67 TYR HE2 H 1 6.749 . . 1 . . . A 67 TYR HE2 . 18916 1 787 . 1 1 67 67 TYR C C 13 175.072 . . 1 . . . A 67 TYR C . 18916 1 788 . 1 1 67 67 TYR CA C 13 56.641 . . 1 . . . A 67 TYR CA . 18916 1 789 . 1 1 67 67 TYR CB C 13 40.822 . . 1 . . . A 67 TYR CB . 18916 1 790 . 1 1 67 67 TYR CD1 C 13 132.799 . . 1 . . . A 67 TYR CD1 . 18916 1 791 . 1 1 67 67 TYR CE1 C 13 118.034 . . 1 . . . A 67 TYR CE1 . 18916 1 792 . 1 1 67 67 TYR N N 15 118.682 . . 1 . . . A 67 TYR N . 18916 1 793 . 1 1 68 68 LYS H H 1 7.771 . . 1 . . . A 68 LYS H . 18916 1 794 . 1 1 68 68 LYS HA H 1 3.800 . . 1 . . . A 68 LYS HA . 18916 1 795 . 1 1 68 68 LYS HB2 H 1 1.149 . . 1 . . . A 68 LYS HB2 . 18916 1 796 . 1 1 68 68 LYS HB3 H 1 0.412 . . 1 . . . A 68 LYS HB3 . 18916 1 797 . 1 1 68 68 LYS HG2 H 1 0.657 . . 2 . . . A 68 LYS HG2 . 18916 1 798 . 1 1 68 68 LYS HG3 H 1 -0.484 . . 2 . . . A 68 LYS HG3 . 18916 1 799 . 1 1 68 68 LYS HD2 H 1 0.139 . . 2 . . . A 68 LYS HD2 . 18916 1 800 . 1 1 68 68 LYS HD3 H 1 -0.451 . . 2 . . . A 68 LYS HD3 . 18916 1 801 . 1 1 68 68 LYS HE2 H 1 2.338 . . 2 . . . A 68 LYS HE2 . 18916 1 802 . 1 1 68 68 LYS HE3 H 1 2.204 . . 2 . . . A 68 LYS HE3 . 18916 1 803 . 1 1 68 68 LYS C C 13 174.491 . . 1 . . . A 68 LYS C . 18916 1 804 . 1 1 68 68 LYS CA C 13 56.246 . . 1 . . . A 68 LYS CA . 18916 1 805 . 1 1 68 68 LYS CB C 13 32.664 . . 1 . . . A 68 LYS CB . 18916 1 806 . 1 1 68 68 LYS CG C 13 23.552 . . 1 . . . A 68 LYS CG . 18916 1 807 . 1 1 68 68 LYS CD C 13 28.603 . . 1 . . . A 68 LYS CD . 18916 1 808 . 1 1 68 68 LYS CE C 13 41.713 . . 1 . . . A 68 LYS CE . 18916 1 809 . 1 1 68 68 LYS N N 15 121.419 . . 1 . . . A 68 LYS N . 18916 1 810 . 1 1 69 69 VAL H H 1 8.384 . . 1 . . . A 69 VAL H . 18916 1 811 . 1 1 69 69 VAL HA H 1 5.182 . . 1 . . . A 69 VAL HA . 18916 1 812 . 1 1 69 69 VAL HB H 1 2.066 . . 1 . . . A 69 VAL HB . 18916 1 813 . 1 1 69 69 VAL HG11 H 1 0.848 . . 2 . . . A 69 VAL HG11 . 18916 1 814 . 1 1 69 69 VAL HG12 H 1 0.848 . . 2 . . . A 69 VAL HG12 . 18916 1 815 . 1 1 69 69 VAL HG13 H 1 0.848 . . 2 . . . A 69 VAL HG13 . 18916 1 816 . 1 1 69 69 VAL HG21 H 1 0.880 . . 2 . . . A 69 VAL HG21 . 18916 1 817 . 1 1 69 69 VAL HG22 H 1 0.880 . . 2 . . . A 69 VAL HG22 . 18916 1 818 . 1 1 69 69 VAL HG23 H 1 0.880 . . 2 . . . A 69 VAL HG23 . 18916 1 819 . 1 1 69 69 VAL C C 13 176.365 . . 1 . . . A 69 VAL C . 18916 1 820 . 1 1 69 69 VAL CA C 13 60.879 . . 1 . . . A 69 VAL CA . 18916 1 821 . 1 1 69 69 VAL CB C 13 32.355 . . 1 . . . A 69 VAL CB . 18916 1 822 . 1 1 69 69 VAL CG1 C 13 22.400 . . 1 . . . A 69 VAL CG1 . 18916 1 823 . 1 1 69 69 VAL CG2 C 13 21.254 . . 1 . . . A 69 VAL CG2 . 18916 1 824 . 1 1 69 69 VAL N N 15 126.113 . . 1 . . . A 69 VAL N . 18916 1 825 . 1 1 70 70 VAL H H 1 9.390 . . 1 . . . A 70 VAL H . 18916 1 826 . 1 1 70 70 VAL HA H 1 5.377 . . 1 . . . A 70 VAL HA . 18916 1 827 . 1 1 70 70 VAL HB H 1 2.247 . . 1 . . . A 70 VAL HB . 18916 1 828 . 1 1 70 70 VAL HG11 H 1 0.718 . . 2 . . . A 70 VAL HG11 . 18916 1 829 . 1 1 70 70 VAL HG12 H 1 0.718 . . 2 . . . A 70 VAL HG12 . 18916 1 830 . 1 1 70 70 VAL HG13 H 1 0.718 . . 2 . . . A 70 VAL HG13 . 18916 1 831 . 1 1 70 70 VAL HG21 H 1 0.727 . . 2 . . . A 70 VAL HG21 . 18916 1 832 . 1 1 70 70 VAL HG22 H 1 0.727 . . 2 . . . A 70 VAL HG22 . 18916 1 833 . 1 1 70 70 VAL HG23 H 1 0.727 . . 2 . . . A 70 VAL HG23 . 18916 1 834 . 1 1 70 70 VAL C C 13 174.040 . . 1 . . . A 70 VAL C . 18916 1 835 . 1 1 70 70 VAL CA C 13 57.849 . . 1 . . . A 70 VAL CA . 18916 1 836 . 1 1 70 70 VAL CB C 13 36.753 . . 1 . . . A 70 VAL CB . 18916 1 837 . 1 1 70 70 VAL CG1 C 13 23.368 . . 1 . . . A 70 VAL CG1 . 18916 1 838 . 1 1 70 70 VAL CG2 C 13 19.337 . . 1 . . . A 70 VAL CG2 . 18916 1 839 . 1 1 70 70 VAL N N 15 120.358 . . 1 . . . A 70 VAL N . 18916 1 840 . 1 1 71 71 SER H H 1 8.354 . . 1 . . . A 71 SER H . 18916 1 841 . 1 1 71 71 SER HA H 1 5.630 . . 1 . . . A 71 SER HA . 18916 1 842 . 1 1 71 71 SER HB2 H 1 4.624 . . 2 . . . A 71 SER HB2 . 18916 1 843 . 1 1 71 71 SER HB3 H 1 4.168 . . 2 . . . A 71 SER HB3 . 18916 1 844 . 1 1 71 71 SER CA C 13 60.584 . . 1 . . . A 71 SER CA . 18916 1 845 . 1 1 71 71 SER CB C 13 60.367 . . 1 . . . A 71 SER CB . 18916 1 846 . 1 1 71 71 SER N N 15 114.634 . . 1 . . . A 71 SER N . 18916 1 847 . 1 1 72 72 PRO HA H 1 4.136 . . 1 . . . A 72 PRO HA . 18916 1 848 . 1 1 72 72 PRO HB2 H 1 2.023 . . 1 . . . A 72 PRO HB2 . 18916 1 849 . 1 1 72 72 PRO HB3 H 1 2.027 . . 1 . . . A 72 PRO HB3 . 18916 1 850 . 1 1 72 72 PRO HG2 H 1 2.154 . . 1 . . . A 72 PRO HG2 . 18916 1 851 . 1 1 72 72 PRO HG3 H 1 1.647 . . 1 . . . A 72 PRO HG3 . 18916 1 852 . 1 1 72 72 PRO HD2 H 1 4.025 . . 2 . . . A 72 PRO HD2 . 18916 1 853 . 1 1 72 72 PRO HD3 H 1 3.724 . . 2 . . . A 72 PRO HD3 . 18916 1 854 . 1 1 72 72 PRO C C 13 177.193 . . 1 . . . A 72 PRO C . 18916 1 855 . 1 1 72 72 PRO CA C 13 65.062 . . 1 . . . A 72 PRO CA . 18916 1 856 . 1 1 72 72 PRO CB C 13 32.339 . . 1 . . . A 72 PRO CB . 18916 1 857 . 1 1 72 72 PRO CG C 13 28.180 . . 1 . . . A 72 PRO CG . 18916 1 858 . 1 1 72 72 PRO CD C 13 50.339 . . 1 . . . A 72 PRO CD . 18916 1 859 . 1 1 73 73 ASP H H 1 8.427 . . 1 . . . A 73 ASP H . 18916 1 860 . 1 1 73 73 ASP HA H 1 4.202 . . 1 . . . A 73 ASP HA . 18916 1 861 . 1 1 73 73 ASP HB2 H 1 2.865 . . 1 . . . A 73 ASP HB2 . 18916 1 862 . 1 1 73 73 ASP HB3 H 1 2.735 . . 1 . . . A 73 ASP HB3 . 18916 1 863 . 1 1 73 73 ASP C C 13 175.450 . . 1 . . . A 73 ASP C . 18916 1 864 . 1 1 73 73 ASP CA C 13 56.426 . . 1 . . . A 73 ASP CA . 18916 1 865 . 1 1 73 73 ASP CB C 13 39.355 . . 1 . . . A 73 ASP CB . 18916 1 866 . 1 1 73 73 ASP N N 15 115.868 . . 1 . . . A 73 ASP N . 18916 1 867 . 1 1 74 74 TRP H H 1 7.833 . . 1 . . . A 74 TRP H . 18916 1 868 . 1 1 74 74 TRP HA H 1 2.618 . . 1 . . . A 74 TRP HA . 18916 1 869 . 1 1 74 74 TRP HB2 H 1 2.837 . . 1 . . . A 74 TRP HB2 . 18916 1 870 . 1 1 74 74 TRP HB3 H 1 3.118 . . 1 . . . A 74 TRP HB3 . 18916 1 871 . 1 1 74 74 TRP HD1 H 1 6.762 . . 1 . . . A 74 TRP HD1 . 18916 1 872 . 1 1 74 74 TRP HE1 H 1 10.096 . . 1 . . . A 74 TRP HE1 . 18916 1 873 . 1 1 74 74 TRP HE3 H 1 6.966 . . 1 . . . A 74 TRP HE3 . 18916 1 874 . 1 1 74 74 TRP HZ2 H 1 7.250 . . 1 . . . A 74 TRP HZ2 . 18916 1 875 . 1 1 74 74 TRP HZ3 H 1 6.082 . . 1 . . . A 74 TRP HZ3 . 18916 1 876 . 1 1 74 74 TRP HH2 H 1 6.009 . . 1 . . . A 74 TRP HH2 . 18916 1 877 . 1 1 74 74 TRP C C 13 178.472 . . 1 . . . A 74 TRP C . 18916 1 878 . 1 1 74 74 TRP CA C 13 61.015 . . 1 . . . A 74 TRP CA . 18916 1 879 . 1 1 74 74 TRP CB C 13 28.730 . . 1 . . . A 74 TRP CB . 18916 1 880 . 1 1 74 74 TRP CD1 C 13 125.052 . . 1 . . . A 74 TRP CD1 . 18916 1 881 . 1 1 74 74 TRP CE3 C 13 119.909 . . 1 . . . A 74 TRP CE3 . 18916 1 882 . 1 1 74 74 TRP CZ2 C 13 113.792 . . 1 . . . A 74 TRP CZ2 . 18916 1 883 . 1 1 74 74 TRP CZ3 C 13 119.909 . . 1 . . . A 74 TRP CZ3 . 18916 1 884 . 1 1 74 74 TRP CH2 C 13 123.190 . . 1 . . . A 74 TRP CH2 . 18916 1 885 . 1 1 74 74 TRP N N 15 121.252 . . 1 . . . A 74 TRP N . 18916 1 886 . 1 1 74 74 TRP NE1 N 15 129.024 . . 1 . . . A 74 TRP NE1 . 18916 1 887 . 1 1 75 75 ILE H H 1 6.969 . . 1 . . . A 75 ILE H . 18916 1 888 . 1 1 75 75 ILE HA H 1 3.244 . . 1 . . . A 75 ILE HA . 18916 1 889 . 1 1 75 75 ILE HB H 1 1.950 . . 1 . . . A 75 ILE HB . 18916 1 890 . 1 1 75 75 ILE HG12 H 1 1.395 . . 1 . . . A 75 ILE HG12 . 18916 1 891 . 1 1 75 75 ILE HG13 H 1 0.765 . . 1 . . . A 75 ILE HG13 . 18916 1 892 . 1 1 75 75 ILE HG21 H 1 0.559 . . 1 . . . A 75 ILE HG21 . 18916 1 893 . 1 1 75 75 ILE HG22 H 1 0.559 . . 1 . . . A 75 ILE HG22 . 18916 1 894 . 1 1 75 75 ILE HG23 H 1 0.559 . . 1 . . . A 75 ILE HG23 . 18916 1 895 . 1 1 75 75 ILE HD11 H 1 0.502 . . 1 . . . A 75 ILE HD11 . 18916 1 896 . 1 1 75 75 ILE HD12 H 1 0.502 . . 1 . . . A 75 ILE HD12 . 18916 1 897 . 1 1 75 75 ILE HD13 H 1 0.502 . . 1 . . . A 75 ILE HD13 . 18916 1 898 . 1 1 75 75 ILE C C 13 176.728 . . 1 . . . A 75 ILE C . 18916 1 899 . 1 1 75 75 ILE CA C 13 62.895 . . 1 . . . A 75 ILE CA . 18916 1 900 . 1 1 75 75 ILE CB C 13 37.221 . . 1 . . . A 75 ILE CB . 18916 1 901 . 1 1 75 75 ILE CG1 C 13 28.146 . . 1 . . . A 75 ILE CG1 . 18916 1 902 . 1 1 75 75 ILE CG2 C 13 16.816 . . 1 . . . A 75 ILE CG2 . 18916 1 903 . 1 1 75 75 ILE CD1 C 13 13.902 . . 1 . . . A 75 ILE CD1 . 18916 1 904 . 1 1 75 75 ILE N N 15 116.185 . . 1 . . . A 75 ILE N . 18916 1 905 . 1 1 76 76 VAL H H 1 7.056 . . 1 . . . A 76 VAL H . 18916 1 906 . 1 1 76 76 VAL HA H 1 3.196 . . 1 . . . A 76 VAL HA . 18916 1 907 . 1 1 76 76 VAL HB H 1 1.880 . . 1 . . . A 76 VAL HB . 18916 1 908 . 1 1 76 76 VAL HG11 H 1 0.893 . . 2 . . . A 76 VAL HG11 . 18916 1 909 . 1 1 76 76 VAL HG12 H 1 0.893 . . 2 . . . A 76 VAL HG12 . 18916 1 910 . 1 1 76 76 VAL HG13 H 1 0.893 . . 2 . . . A 76 VAL HG13 . 18916 1 911 . 1 1 76 76 VAL HG21 H 1 0.824 . . 2 . . . A 76 VAL HG21 . 18916 1 912 . 1 1 76 76 VAL HG22 H 1 0.824 . . 2 . . . A 76 VAL HG22 . 18916 1 913 . 1 1 76 76 VAL HG23 H 1 0.824 . . 2 . . . A 76 VAL HG23 . 18916 1 914 . 1 1 76 76 VAL C C 13 178.675 . . 1 . . . A 76 VAL C . 18916 1 915 . 1 1 76 76 VAL CA C 13 66.945 . . 1 . . . A 76 VAL CA . 18916 1 916 . 1 1 76 76 VAL CB C 13 32.645 . . 1 . . . A 76 VAL CB . 18916 1 917 . 1 1 76 76 VAL CG1 C 13 21.186 . . 1 . . . A 76 VAL CG1 . 18916 1 918 . 1 1 76 76 VAL CG2 C 13 21.671 . . 1 . . . A 76 VAL CG2 . 18916 1 919 . 1 1 76 76 VAL N N 15 117.042 . . 1 . . . A 76 VAL N . 18916 1 920 . 1 1 77 77 ASP H H 1 9.171 . . 1 . . . A 77 ASP H . 18916 1 921 . 1 1 77 77 ASP HA H 1 4.304 . . 1 . . . A 77 ASP HA . 18916 1 922 . 1 1 77 77 ASP HB2 H 1 2.728 . . 2 . . . A 77 ASP HB2 . 18916 1 923 . 1 1 77 77 ASP HB3 H 1 2.537 . . 2 . . . A 77 ASP HB3 . 18916 1 924 . 1 1 77 77 ASP C C 13 178.515 . . 1 . . . A 77 ASP C . 18916 1 925 . 1 1 77 77 ASP CA C 13 56.998 . . 1 . . . A 77 ASP CA . 18916 1 926 . 1 1 77 77 ASP CB C 13 38.850 . . 1 . . . A 77 ASP CB . 18916 1 927 . 1 1 77 77 ASP N N 15 120.009 . . 1 . . . A 77 ASP N . 18916 1 928 . 1 1 78 78 SER H H 1 7.056 . . 1 . . . A 78 SER H . 18916 1 929 . 1 1 78 78 SER HA H 1 4.391 . . 1 . . . A 78 SER HA . 18916 1 930 . 1 1 78 78 SER HB2 H 1 3.609 . . 2 . . . A 78 SER HB2 . 18916 1 931 . 1 1 78 78 SER HB3 H 1 3.386 . . 2 . . . A 78 SER HB3 . 18916 1 932 . 1 1 78 78 SER C C 13 175.290 . . 1 . . . A 78 SER C . 18916 1 933 . 1 1 78 78 SER CA C 13 62.948 . . 1 . . . A 78 SER CA . 18916 1 934 . 1 1 78 78 SER CB C 13 63.080 . . 1 . . . A 78 SER CB . 18916 1 935 . 1 1 78 78 SER N N 15 117.973 . . 1 . . . A 78 SER N . 18916 1 936 . 1 1 79 79 VAL H H 1 7.596 . . 1 . . . A 79 VAL H . 18916 1 937 . 1 1 79 79 VAL HA H 1 2.908 . . 1 . . . A 79 VAL HA . 18916 1 938 . 1 1 79 79 VAL HB H 1 1.891 . . 1 . . . A 79 VAL HB . 18916 1 939 . 1 1 79 79 VAL HG11 H 1 0.552 . . 2 . . . A 79 VAL HG11 . 18916 1 940 . 1 1 79 79 VAL HG12 H 1 0.552 . . 2 . . . A 79 VAL HG12 . 18916 1 941 . 1 1 79 79 VAL HG13 H 1 0.552 . . 2 . . . A 79 VAL HG13 . 18916 1 942 . 1 1 79 79 VAL HG21 H 1 0.589 . . 2 . . . A 79 VAL HG21 . 18916 1 943 . 1 1 79 79 VAL HG22 H 1 0.589 . . 2 . . . A 79 VAL HG22 . 18916 1 944 . 1 1 79 79 VAL HG23 H 1 0.589 . . 2 . . . A 79 VAL HG23 . 18916 1 945 . 1 1 79 79 VAL C C 13 179.169 . . 1 . . . A 79 VAL C . 18916 1 946 . 1 1 79 79 VAL CA C 13 66.864 . . 1 . . . A 79 VAL CA . 18916 1 947 . 1 1 79 79 VAL CB C 13 30.830 . . 1 . . . A 79 VAL CB . 18916 1 948 . 1 1 79 79 VAL CG1 C 13 23.717 . . 1 . . . A 79 VAL CG1 . 18916 1 949 . 1 1 79 79 VAL CG2 C 13 21.216 . . 1 . . . A 79 VAL CG2 . 18916 1 950 . 1 1 79 79 VAL N N 15 119.889 . . 1 . . . A 79 VAL N . 18916 1 951 . 1 1 80 80 LYS H H 1 7.946 . . 1 . . . A 80 LYS H . 18916 1 952 . 1 1 80 80 LYS HA H 1 3.890 . . 1 . . . A 80 LYS HA . 18916 1 953 . 1 1 80 80 LYS HB2 H 1 1.971 . . 2 . . . A 80 LYS HB2 . 18916 1 954 . 1 1 80 80 LYS HB3 H 1 1.944 . . 2 . . . A 80 LYS HB3 . 18916 1 955 . 1 1 80 80 LYS HG2 H 1 1.522 . . 2 . . . A 80 LYS HG2 . 18916 1 956 . 1 1 80 80 LYS HG3 H 1 1.518 . . 2 . . . A 80 LYS HG3 . 18916 1 957 . 1 1 80 80 LYS HD2 H 1 1.699 . . 2 . . . A 80 LYS HD2 . 18916 1 958 . 1 1 80 80 LYS HD3 H 1 1.717 . . 2 . . . A 80 LYS HD3 . 18916 1 959 . 1 1 80 80 LYS HE2 H 1 2.916 . . 1 . . . A 80 LYS HE2 . 18916 1 960 . 1 1 80 80 LYS C C 13 178.806 . . 1 . . . A 80 LYS C . 18916 1 961 . 1 1 80 80 LYS CA C 13 59.779 . . 1 . . . A 80 LYS CA . 18916 1 962 . 1 1 80 80 LYS CB C 13 32.331 . . 1 . . . A 80 LYS CB . 18916 1 963 . 1 1 80 80 LYS CG C 13 24.723 . . 1 . . . A 80 LYS CG . 18916 1 964 . 1 1 80 80 LYS CD C 13 29.397 . . 1 . . . A 80 LYS CD . 18916 1 965 . 1 1 80 80 LYS CE C 13 41.952 . . 1 . . . A 80 LYS CE . 18916 1 966 . 1 1 80 80 LYS N N 15 121.062 . . 1 . . . A 80 LYS N . 18916 1 967 . 1 1 81 81 GLU H H 1 8.063 . . 1 . . . A 81 GLU H . 18916 1 968 . 1 1 81 81 GLU HA H 1 4.128 . . 1 . . . A 81 GLU HA . 18916 1 969 . 1 1 81 81 GLU HB2 H 1 2.226 . . 2 . . . A 81 GLU HB2 . 18916 1 970 . 1 1 81 81 GLU HB3 H 1 1.830 . . 2 . . . A 81 GLU HB3 . 18916 1 971 . 1 1 81 81 GLU HG2 H 1 2.406 . . 2 . . . A 81 GLU HG2 . 18916 1 972 . 1 1 81 81 GLU HG3 H 1 2.324 . . 2 . . . A 81 GLU HG3 . 18916 1 973 . 1 1 81 81 GLU C C 13 174.912 . . 1 . . . A 81 GLU C . 18916 1 974 . 1 1 81 81 GLU CA C 13 56.470 . . 1 . . . A 81 GLU CA . 18916 1 975 . 1 1 81 81 GLU CB C 13 29.613 . . 1 . . . A 81 GLU CB . 18916 1 976 . 1 1 81 81 GLU CG C 13 36.512 . . 1 . . . A 81 GLU CG . 18916 1 977 . 1 1 81 81 GLU N N 15 115.870 . . 1 . . . A 81 GLU N . 18916 1 978 . 1 1 82 82 ALA H H 1 7.931 . . 1 . . . A 82 ALA H . 18916 1 979 . 1 1 82 82 ALA HA H 1 3.708 . . 1 . . . A 82 ALA HA . 18916 1 980 . 1 1 82 82 ALA HB1 H 1 1.366 . . 1 . . . A 82 ALA HB1 . 18916 1 981 . 1 1 82 82 ALA HB2 H 1 1.366 . . 1 . . . A 82 ALA HB2 . 18916 1 982 . 1 1 82 82 ALA HB3 H 1 1.366 . . 1 . . . A 82 ALA HB3 . 18916 1 983 . 1 1 82 82 ALA C C 13 175.711 . . 1 . . . A 82 ALA C . 18916 1 984 . 1 1 82 82 ALA CA C 13 52.461 . . 1 . . . A 82 ALA CA . 18916 1 985 . 1 1 82 82 ALA CB C 13 16.581 . . 1 . . . A 82 ALA CB . 18916 1 986 . 1 1 82 82 ALA N N 15 122.380 . . 1 . . . A 82 ALA N . 18916 1 987 . 1 1 83 83 ARG H H 1 8.165 . . 1 . . . A 83 ARG H . 18916 1 988 . 1 1 83 83 ARG HA H 1 4.190 . . 1 . . . A 83 ARG HA . 18916 1 989 . 1 1 83 83 ARG HB2 H 1 1.665 . . 2 . . . A 83 ARG HB2 . 18916 1 990 . 1 1 83 83 ARG HB3 H 1 1.541 . . 2 . . . A 83 ARG HB3 . 18916 1 991 . 1 1 83 83 ARG HG2 H 1 1.332 . . 1 . . . A 83 ARG HG2 . 18916 1 992 . 1 1 83 83 ARG HG3 H 1 1.209 . . 1 . . . A 83 ARG HG3 . 18916 1 993 . 1 1 83 83 ARG HD2 H 1 3.103 . . 2 . . . A 83 ARG HD2 . 18916 1 994 . 1 1 83 83 ARG HD3 H 1 3.066 . . 2 . . . A 83 ARG HD3 . 18916 1 995 . 1 1 83 83 ARG C C 13 172.050 . . 1 . . . A 83 ARG C . 18916 1 996 . 1 1 83 83 ARG CA C 13 55.162 . . 1 . . . A 83 ARG CA . 18916 1 997 . 1 1 83 83 ARG CB C 13 32.355 . . 1 . . . A 83 ARG CB . 18916 1 998 . 1 1 83 83 ARG CG C 13 26.239 . . 1 . . . A 83 ARG CG . 18916 1 999 . 1 1 83 83 ARG CD C 13 43.602 . . 1 . . . A 83 ARG CD . 18916 1 1000 . 1 1 83 83 ARG N N 15 115.619 . . 1 . . . A 83 ARG N . 18916 1 1001 . 1 1 84 84 LEU H H 1 8.325 . . 1 . . . A 84 LEU H . 18916 1 1002 . 1 1 84 84 LEU HA H 1 3.716 . . 1 . . . A 84 LEU HA . 18916 1 1003 . 1 1 84 84 LEU HB2 H 1 1.830 . . 2 . . . A 84 LEU HB2 . 18916 1 1004 . 1 1 84 84 LEU HB3 H 1 1.295 . . 2 . . . A 84 LEU HB3 . 18916 1 1005 . 1 1 84 84 LEU HG H 1 1.605 . . 1 . . . A 84 LEU HG . 18916 1 1006 . 1 1 84 84 LEU HD11 H 1 1.058 . . 2 . . . A 84 LEU HD11 . 18916 1 1007 . 1 1 84 84 LEU HD12 H 1 1.058 . . 2 . . . A 84 LEU HD12 . 18916 1 1008 . 1 1 84 84 LEU HD13 H 1 1.058 . . 2 . . . A 84 LEU HD13 . 18916 1 1009 . 1 1 84 84 LEU HD21 H 1 0.658 . . 2 . . . A 84 LEU HD21 . 18916 1 1010 . 1 1 84 84 LEU HD22 H 1 0.658 . . 2 . . . A 84 LEU HD22 . 18916 1 1011 . 1 1 84 84 LEU HD23 H 1 0.658 . . 2 . . . A 84 LEU HD23 . 18916 1 1012 . 1 1 84 84 LEU C C 13 176.917 . . 1 . . . A 84 LEU C . 18916 1 1013 . 1 1 84 84 LEU CA C 13 54.985 . . 1 . . . A 84 LEU CA . 18916 1 1014 . 1 1 84 84 LEU CB C 13 41.311 . . 1 . . . A 84 LEU CB . 18916 1 1015 . 1 1 84 84 LEU CG C 13 26.731 . . 1 . . . A 84 LEU CG . 18916 1 1016 . 1 1 84 84 LEU CD1 C 13 26.067 . . 1 . . . A 84 LEU CD1 . 18916 1 1017 . 1 1 84 84 LEU CD2 C 13 24.585 . . 1 . . . A 84 LEU CD2 . 18916 1 1018 . 1 1 84 84 LEU N N 15 120.648 . . 1 . . . A 84 LEU N . 18916 1 1019 . 1 1 85 85 LEU H H 1 7.946 . . 1 . . . A 85 LEU H . 18916 1 1020 . 1 1 85 85 LEU HA H 1 4.597 . . 1 . . . A 85 LEU HA . 18916 1 1021 . 1 1 85 85 LEU HB2 H 1 1.594 . . 1 . . . A 85 LEU HB2 . 18916 1 1022 . 1 1 85 85 LEU HB3 H 1 1.722 . . 1 . . . A 85 LEU HB3 . 18916 1 1023 . 1 1 85 85 LEU HG H 1 0.948 . . 1 . . . A 85 LEU HG . 18916 1 1024 . 1 1 85 85 LEU HD11 H 1 0.955 . . 2 . . . A 85 LEU HD11 . 18916 1 1025 . 1 1 85 85 LEU HD12 H 1 0.955 . . 2 . . . A 85 LEU HD12 . 18916 1 1026 . 1 1 85 85 LEU HD13 H 1 0.955 . . 2 . . . A 85 LEU HD13 . 18916 1 1027 . 1 1 85 85 LEU HD21 H 1 0.826 . . 2 . . . A 85 LEU HD21 . 18916 1 1028 . 1 1 85 85 LEU HD22 H 1 0.826 . . 2 . . . A 85 LEU HD22 . 18916 1 1029 . 1 1 85 85 LEU HD23 H 1 0.826 . . 2 . . . A 85 LEU HD23 . 18916 1 1030 . 1 1 85 85 LEU CA C 13 53.648 . . 1 . . . A 85 LEU CA . 18916 1 1031 . 1 1 85 85 LEU CB C 13 40.363 . . 1 . . . A 85 LEU CB . 18916 1 1032 . 1 1 85 85 LEU CG C 13 26.538 . . 1 . . . A 85 LEU CG . 18916 1 1033 . 1 1 85 85 LEU CD1 C 13 26.538 . . 1 . . . A 85 LEU CD1 . 18916 1 1034 . 1 1 85 85 LEU CD2 C 13 21.936 . . 1 . . . A 85 LEU CD2 . 18916 1 1035 . 1 1 85 85 LEU N N 15 132.955 . . 1 . . . A 85 LEU N . 18916 1 1036 . 1 1 86 86 PRO HA H 1 4.585 . . 1 . . . A 86 PRO HA . 18916 1 1037 . 1 1 86 86 PRO HB2 H 1 2.272 . . 1 . . . A 86 PRO HB2 . 18916 1 1038 . 1 1 86 86 PRO HB3 H 1 1.861 . . 1 . . . A 86 PRO HB3 . 18916 1 1039 . 1 1 86 86 PRO HG2 H 1 2.158 . . 2 . . . A 86 PRO HG2 . 18916 1 1040 . 1 1 86 86 PRO HG3 H 1 2.041 . . 2 . . . A 86 PRO HG3 . 18916 1 1041 . 1 1 86 86 PRO HD2 H 1 3.677 . . 1 . . . A 86 PRO HD2 . 18916 1 1042 . 1 1 86 86 PRO HD3 H 1 3.893 . . 1 . . . A 86 PRO HD3 . 18916 1 1043 . 1 1 86 86 PRO C C 13 178.835 . . 1 . . . A 86 PRO C . 18916 1 1044 . 1 1 86 86 PRO CA C 13 63.775 . . 1 . . . A 86 PRO CA . 18916 1 1045 . 1 1 86 86 PRO CB C 13 31.549 . . 1 . . . A 86 PRO CB . 18916 1 1046 . 1 1 86 86 PRO CG C 13 28.163 . . 1 . . . A 86 PRO CG . 18916 1 1047 . 1 1 86 86 PRO CD C 13 50.871 . . 1 . . . A 86 PRO CD . 18916 1 1048 . 1 1 87 87 TRP H H 1 8.369 . . 1 . . . A 87 TRP H . 18916 1 1049 . 1 1 87 87 TRP HA H 1 3.635 . . 1 . . . A 87 TRP HA . 18916 1 1050 . 1 1 87 87 TRP HB2 H 1 2.731 . . 2 . . . A 87 TRP HB2 . 18916 1 1051 . 1 1 87 87 TRP HB3 H 1 2.606 . . 2 . . . A 87 TRP HB3 . 18916 1 1052 . 1 1 87 87 TRP HD1 H 1 7.564 . . 1 . . . A 87 TRP HD1 . 18916 1 1053 . 1 1 87 87 TRP HE1 H 1 10.451 . . 1 . . . A 87 TRP HE1 . 18916 1 1054 . 1 1 87 87 TRP HE3 H 1 7.031 . . 1 . . . A 87 TRP HE3 . 18916 1 1055 . 1 1 87 87 TRP HZ2 H 1 7.456 . . 1 . . . A 87 TRP HZ2 . 18916 1 1056 . 1 1 87 87 TRP HZ3 H 1 7.142 . . 1 . . . A 87 TRP HZ3 . 18916 1 1057 . 1 1 87 87 TRP HH2 H 1 7.231 . . 1 . . . A 87 TRP HH2 . 18916 1 1058 . 1 1 87 87 TRP C C 13 177.963 . . 1 . . . A 87 TRP C . 18916 1 1059 . 1 1 87 87 TRP CA C 13 59.553 . . 1 . . . A 87 TRP CA . 18916 1 1060 . 1 1 87 87 TRP CB C 13 26.961 . . 1 . . . A 87 TRP CB . 18916 1 1061 . 1 1 87 87 TRP CD1 C 13 127.670 . . 1 . . . A 87 TRP CD1 . 18916 1 1062 . 1 1 87 87 TRP CE3 C 13 120.067 . . 1 . . . A 87 TRP CE3 . 18916 1 1063 . 1 1 87 87 TRP CZ2 C 13 114.873 . . 1 . . . A 87 TRP CZ2 . 18916 1 1064 . 1 1 87 87 TRP CZ3 C 13 121.915 . . 1 . . . A 87 TRP CZ3 . 18916 1 1065 . 1 1 87 87 TRP CH2 C 13 125.343 . . 1 . . . A 87 TRP CH2 . 18916 1 1066 . 1 1 87 87 TRP N N 15 128.323 . . 1 . . . A 87 TRP N . 18916 1 1067 . 1 1 87 87 TRP NE1 N 15 131.100 . . 1 . . . A 87 TRP NE1 . 18916 1 1068 . 1 1 88 88 GLN H H 1 8.354 . . 1 . . . A 88 GLN H . 18916 1 1069 . 1 1 88 88 GLN HA H 1 2.905 . . 1 . . . A 88 GLN HA . 18916 1 1070 . 1 1 88 88 GLN HB2 H 1 1.330 . . 2 . . . A 88 GLN HB2 . 18916 1 1071 . 1 1 88 88 GLN HB3 H 1 1.224 . . 2 . . . A 88 GLN HB3 . 18916 1 1072 . 1 1 88 88 GLN HG2 H 1 1.898 . . 2 . . . A 88 GLN HG2 . 18916 1 1073 . 1 1 88 88 GLN HG3 H 1 0.479 . . 2 . . . A 88 GLN HG3 . 18916 1 1074 . 1 1 88 88 GLN HE21 H 1 7.333 . . 2 . . . A 88 GLN HE21 . 18916 1 1075 . 1 1 88 88 GLN HE22 H 1 6.444 . . 2 . . . A 88 GLN HE22 . 18916 1 1076 . 1 1 88 88 GLN C C 13 178.196 . . 1 . . . A 88 GLN C . 18916 1 1077 . 1 1 88 88 GLN CA C 13 59.922 . . 1 . . . A 88 GLN CA . 18916 1 1078 . 1 1 88 88 GLN CB C 13 26.460 . . 1 . . . A 88 GLN CB . 18916 1 1079 . 1 1 88 88 GLN CG C 13 32.840 . . 1 . . . A 88 GLN CG . 18916 1 1080 . 1 1 88 88 GLN N N 15 120.928 . . 1 . . . A 88 GLN N . 18916 1 1081 . 1 1 88 88 GLN NE2 N 15 109.854 . . 1 . . . A 88 GLN NE2 . 18916 1 1082 . 1 1 89 89 ASN H H 1 7.304 . . 1 . . . A 89 ASN H . 18916 1 1083 . 1 1 89 89 ASN HA H 1 4.299 . . 1 . . . A 89 ASN HA . 18916 1 1084 . 1 1 89 89 ASN HB2 H 1 2.811 . . 2 . . . A 89 ASN HB2 . 18916 1 1085 . 1 1 89 89 ASN HB3 H 1 2.544 . . 2 . . . A 89 ASN HB3 . 18916 1 1086 . 1 1 89 89 ASN HD21 H 1 7.683 . . 2 . . . A 89 ASN HD21 . 18916 1 1087 . 1 1 89 89 ASN HD22 H 1 6.954 . . 2 . . . A 89 ASN HD22 . 18916 1 1088 . 1 1 89 89 ASN C C 13 174.752 . . 1 . . . A 89 ASN C . 18916 1 1089 . 1 1 89 89 ASN CA C 13 54.131 . . 1 . . . A 89 ASN CA . 18916 1 1090 . 1 1 89 89 ASN CB C 13 37.361 . . 1 . . . A 89 ASN CB . 18916 1 1091 . 1 1 89 89 ASN N N 15 116.452 . . 1 . . . A 89 ASN N . 18916 1 1092 . 1 1 89 89 ASN ND2 N 15 109.976 . . 1 . . . A 89 ASN ND2 . 18916 1 1093 . 1 1 90 90 TYR H H 1 8.048 . . 1 . . . A 90 TYR H . 18916 1 1094 . 1 1 90 90 TYR HA H 1 4.614 . . 1 . . . A 90 TYR HA . 18916 1 1095 . 1 1 90 90 TYR HB2 H 1 3.856 . . 1 . . . A 90 TYR HB2 . 18916 1 1096 . 1 1 90 90 TYR HB3 H 1 2.615 . . 1 . . . A 90 TYR HB3 . 18916 1 1097 . 1 1 90 90 TYR HD1 H 1 7.252 . . 1 . . . A 90 TYR HD1 . 18916 1 1098 . 1 1 90 90 TYR HD2 H 1 7.252 . . 1 . . . A 90 TYR HD2 . 18916 1 1099 . 1 1 90 90 TYR HE1 H 1 6.790 . . 1 . . . A 90 TYR HE1 . 18916 1 1100 . 1 1 90 90 TYR HE2 H 1 6.790 . . 1 . . . A 90 TYR HE2 . 18916 1 1101 . 1 1 90 90 TYR C C 13 174.534 . . 1 . . . A 90 TYR C . 18916 1 1102 . 1 1 90 90 TYR CA C 13 57.534 . . 1 . . . A 90 TYR CA . 18916 1 1103 . 1 1 90 90 TYR CB C 13 40.153 . . 1 . . . A 90 TYR CB . 18916 1 1104 . 1 1 90 90 TYR CD1 C 13 134.130 . . 1 . . . A 90 TYR CD1 . 18916 1 1105 . 1 1 90 90 TYR CE1 C 13 118.405 . . 1 . . . A 90 TYR CE1 . 18916 1 1106 . 1 1 90 90 TYR N N 15 118.336 . . 1 . . . A 90 TYR N . 18916 1 1107 . 1 1 91 91 SER H H 1 7.012 . . 1 . . . A 91 SER H . 18916 1 1108 . 1 1 91 91 SER HA H 1 5.015 . . 1 . . . A 91 SER HA . 18916 1 1109 . 1 1 91 91 SER HB2 H 1 4.088 . . 2 . . . A 91 SER HB2 . 18916 1 1110 . 1 1 91 91 SER HB3 H 1 3.978 . . 2 . . . A 91 SER HB3 . 18916 1 1111 . 1 1 91 91 SER C C 13 176.205 . . 1 . . . A 91 SER C . 18916 1 1112 . 1 1 91 91 SER CA C 13 58.037 . . 1 . . . A 91 SER CA . 18916 1 1113 . 1 1 91 91 SER CB C 13 64.342 . . 1 . . . A 91 SER CB . 18916 1 1114 . 1 1 91 91 SER N N 15 114.053 . . 1 . . . A 91 SER N . 18916 1 1115 . 1 1 92 92 LEU H H 1 8.777 . . 1 . . . A 92 LEU H . 18916 1 1116 . 1 1 92 92 LEU HA H 1 4.605 . . 1 . . . A 92 LEU HA . 18916 1 1117 . 1 1 92 92 LEU HB2 H 1 1.700 . . 1 . . . A 92 LEU HB2 . 18916 1 1118 . 1 1 92 92 LEU HB3 H 1 1.491 . . 1 . . . A 92 LEU HB3 . 18916 1 1119 . 1 1 92 92 LEU HG H 1 1.700 . . 1 . . . A 92 LEU HG . 18916 1 1120 . 1 1 92 92 LEU HD11 H 1 0.809 . . 2 . . . A 92 LEU HD11 . 18916 1 1121 . 1 1 92 92 LEU HD12 H 1 0.809 . . 2 . . . A 92 LEU HD12 . 18916 1 1122 . 1 1 92 92 LEU HD13 H 1 0.809 . . 2 . . . A 92 LEU HD13 . 18916 1 1123 . 1 1 92 92 LEU HD21 H 1 0.881 . . 2 . . . A 92 LEU HD21 . 18916 1 1124 . 1 1 92 92 LEU HD22 H 1 0.881 . . 2 . . . A 92 LEU HD22 . 18916 1 1125 . 1 1 92 92 LEU HD23 H 1 0.881 . . 2 . . . A 92 LEU HD23 . 18916 1 1126 . 1 1 92 92 LEU C C 13 177.687 . . 1 . . . A 92 LEU C . 18916 1 1127 . 1 1 92 92 LEU CA C 13 55.405 . . 1 . . . A 92 LEU CA . 18916 1 1128 . 1 1 92 92 LEU CB C 13 42.887 . . 1 . . . A 92 LEU CB . 18916 1 1129 . 1 1 92 92 LEU CG C 13 27.967 . . 1 . . . A 92 LEU CG . 18916 1 1130 . 1 1 92 92 LEU CD1 C 13 25.447 . . 1 . . . A 92 LEU CD1 . 18916 1 1131 . 1 1 92 92 LEU CD2 C 13 23.422 . . 1 . . . A 92 LEU CD2 . 18916 1 1132 . 1 1 92 92 LEU N N 15 126.106 . . 1 . . . A 92 LEU N . 18916 1 1133 . 1 1 93 93 THR H H 1 8.252 . . 1 . . . A 93 THR H . 18916 1 1134 . 1 1 93 93 THR HA H 1 4.489 . . 1 . . . A 93 THR HA . 18916 1 1135 . 1 1 93 93 THR HB H 1 4.417 . . 1 . . . A 93 THR HB . 18916 1 1136 . 1 1 93 93 THR HG21 H 1 1.198 . . 1 . . . A 93 THR HG21 . 18916 1 1137 . 1 1 93 93 THR HG22 H 1 1.198 . . 1 . . . A 93 THR HG22 . 18916 1 1138 . 1 1 93 93 THR HG23 H 1 1.198 . . 1 . . . A 93 THR HG23 . 18916 1 1139 . 1 1 93 93 THR C C 13 173.851 . . 1 . . . A 93 THR C . 18916 1 1140 . 1 1 93 93 THR CA C 13 61.318 . . 1 . . . A 93 THR CA . 18916 1 1141 . 1 1 93 93 THR CB C 13 69.853 . . 1 . . . A 93 THR CB . 18916 1 1142 . 1 1 93 93 THR CG2 C 13 21.598 . . 1 . . . A 93 THR CG2 . 18916 1 1143 . 1 1 93 93 THR N N 15 112.458 . . 1 . . . A 93 THR N . 18916 1 1144 . 1 1 94 94 SER H H 1 7.946 . . 1 . . . A 94 SER H . 18916 1 1145 . 1 1 94 94 SER HA H 1 4.300 . . 1 . . . A 94 SER HA . 18916 1 1146 . 1 1 94 94 SER HB2 H 1 3.879 . . 2 . . . A 94 SER HB2 . 18916 1 1147 . 1 1 94 94 SER HB3 H 1 3.890 . . 2 . . . A 94 SER HB3 . 18916 1 1148 . 1 1 94 94 SER CA C 13 60.001 . . 1 . . . A 94 SER CA . 18916 1 1149 . 1 1 94 94 SER CB C 13 64.870 . . 1 . . . A 94 SER CB . 18916 1 1150 . 1 1 94 94 SER N N 15 123.330 . . 1 . . . A 94 SER N . 18916 1 stop_ save_