data_18161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18161 _Entry.Title ; Solution NMR Structure of DE NOVO DESIGNED PROTEIN, PFK fold, Northeast Structural Genomics Consortium Target OR134 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-23 _Entry.Accession_date 2011-12-23 _Entry.Last_release_date 2012-02-06 _Entry.Original_release_date 2012-02-06 _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 NMR' _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 Gaohua Liu . . . 18161 2 Nobuyasu Koga . . . 18161 3 Rie Koga . . . 18161 4 Rong Xiao . . . 18161 5 Hsiau-Wei Lee . . . 18161 6 Haleema Janjua . . . 18161 7 Eitan Kohan . . . 18161 8 Thomas Acton . B. . 18161 9 John Everett . K. . 18161 10 David Baker . . . 18161 11 Gaetano Montelione . T. . 18161 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18161 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18161 'Protein NMR' . 18161 'Protein Structure Initiative' . 18161 PSI-BIO . 18161 'Structural Genomics' . 18161 'Target OR134' . 18161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18161 RDCs 2 18161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 18161 '15N chemical shifts' 108 18161 '1H chemical shifts' 748 18161 'residual dipolar couplings' 123 18161 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-06 2011-12-23 original author . 18161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18145 OR135 18161 BMRB 18166 HR4403E 18161 PDB 2LND 'BMRB Entry Tracking System' 18161 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target OR134' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gaohua Liu . . . 18161 1 2 Nobuyasu Koga . . . 18161 1 3 Rie Koga . . . 18161 1 4 Rong Xiao . . . 18161 1 5 Hsiau-Wei Lee . . . 18161 1 6 Haleema Janjua . . . 18161 1 7 Eitan Kohan . . . 18161 1 8 Thomas Acton . B. . 18161 1 9 John Everett . K. . 18161 1 10 David Baker . . . 18161 1 11 Gaetano Montelione . T. . 18161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18161 _Assembly.ID 1 _Assembly.Name OR134 _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 OR134 1 $OR134 A . yes native no no . . . 18161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR134 _Entity.Sf_category entity _Entity.Sf_framecode OR134 _Entity.Entry_ID 18161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR134 _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 ; MGKVLLVISTDTNIISSVQE RAKHNYPGRYIRTATSSQDI RDIIKSMKDNGKPLVVFVNG ASQNDVNEFQNEAKKEGVSY DVLKSTDPEELTQRVREFLK TAGSLEHHHHHH ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12705.332 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no BMRB 18561 . OR250 . . . . . 100.00 112 99.11 99.11 1.46e-74 . . . . 18161 1 no PDB 2LND . "Solution Nmr Structure Of De Novo Designed Protein, Pfk Fold, Northeast Structural Genomics Consortium Target Or134" . . . . . 100.00 112 100.00 100.00 4.40e-76 . . . . 18161 1 no PDB 2LVB . "Solution Nmr Structure De Novo Designed Pfk Fold Protein, Northeast Structural Genomics Consortium (nesg) Target Or250" . . . . . 100.00 112 99.11 99.11 1.46e-74 . . . . 18161 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18161 1 2 . GLY . 18161 1 3 . LYS . 18161 1 4 . VAL . 18161 1 5 . LEU . 18161 1 6 . LEU . 18161 1 7 . VAL . 18161 1 8 . ILE . 18161 1 9 . SER . 18161 1 10 . THR . 18161 1 11 . ASP . 18161 1 12 . THR . 18161 1 13 . ASN . 18161 1 14 . ILE . 18161 1 15 . ILE . 18161 1 16 . SER . 18161 1 17 . SER . 18161 1 18 . VAL . 18161 1 19 . GLN . 18161 1 20 . GLU . 18161 1 21 . ARG . 18161 1 22 . ALA . 18161 1 23 . LYS . 18161 1 24 . HIS . 18161 1 25 . ASN . 18161 1 26 . TYR . 18161 1 27 . PRO . 18161 1 28 . GLY . 18161 1 29 . ARG . 18161 1 30 . TYR . 18161 1 31 . ILE . 18161 1 32 . ARG . 18161 1 33 . THR . 18161 1 34 . ALA . 18161 1 35 . THR . 18161 1 36 . SER . 18161 1 37 . SER . 18161 1 38 . GLN . 18161 1 39 . ASP . 18161 1 40 . ILE . 18161 1 41 . ARG . 18161 1 42 . ASP . 18161 1 43 . ILE . 18161 1 44 . ILE . 18161 1 45 . LYS . 18161 1 46 . SER . 18161 1 47 . MET . 18161 1 48 . LYS . 18161 1 49 . ASP . 18161 1 50 . ASN . 18161 1 51 . GLY . 18161 1 52 . LYS . 18161 1 53 . PRO . 18161 1 54 . LEU . 18161 1 55 . VAL . 18161 1 56 . VAL . 18161 1 57 . PHE . 18161 1 58 . VAL . 18161 1 59 . ASN . 18161 1 60 . GLY . 18161 1 61 . ALA . 18161 1 62 . SER . 18161 1 63 . GLN . 18161 1 64 . ASN . 18161 1 65 . ASP . 18161 1 66 . VAL . 18161 1 67 . ASN . 18161 1 68 . GLU . 18161 1 69 . PHE . 18161 1 70 . GLN . 18161 1 71 . ASN . 18161 1 72 . GLU . 18161 1 73 . ALA . 18161 1 74 . LYS . 18161 1 75 . LYS . 18161 1 76 . GLU . 18161 1 77 . GLY . 18161 1 78 . VAL . 18161 1 79 . SER . 18161 1 80 . TYR . 18161 1 81 . ASP . 18161 1 82 . VAL . 18161 1 83 . LEU . 18161 1 84 . LYS . 18161 1 85 . SER . 18161 1 86 . THR . 18161 1 87 . ASP . 18161 1 88 . PRO . 18161 1 89 . GLU . 18161 1 90 . GLU . 18161 1 91 . LEU . 18161 1 92 . THR . 18161 1 93 . GLN . 18161 1 94 . ARG . 18161 1 95 . VAL . 18161 1 96 . ARG . 18161 1 97 . GLU . 18161 1 98 . PHE . 18161 1 99 . LEU . 18161 1 100 . LYS . 18161 1 101 . THR . 18161 1 102 . ALA . 18161 1 103 . GLY . 18161 1 104 . SER . 18161 1 105 . LEU . 18161 1 106 . GLU . 18161 1 107 . HIS . 18161 1 108 . HIS . 18161 1 109 . HIS . 18161 1 110 . HIS . 18161 1 111 . HIS . 18161 1 112 . HIS . 18161 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18161 1 . GLY 2 2 18161 1 . LYS 3 3 18161 1 . VAL 4 4 18161 1 . LEU 5 5 18161 1 . LEU 6 6 18161 1 . VAL 7 7 18161 1 . ILE 8 8 18161 1 . SER 9 9 18161 1 . THR 10 10 18161 1 . ASP 11 11 18161 1 . THR 12 12 18161 1 . ASN 13 13 18161 1 . ILE 14 14 18161 1 . ILE 15 15 18161 1 . SER 16 16 18161 1 . SER 17 17 18161 1 . VAL 18 18 18161 1 . GLN 19 19 18161 1 . GLU 20 20 18161 1 . ARG 21 21 18161 1 . ALA 22 22 18161 1 . LYS 23 23 18161 1 . HIS 24 24 18161 1 . ASN 25 25 18161 1 . TYR 26 26 18161 1 . PRO 27 27 18161 1 . GLY 28 28 18161 1 . ARG 29 29 18161 1 . TYR 30 30 18161 1 . ILE 31 31 18161 1 . ARG 32 32 18161 1 . THR 33 33 18161 1 . ALA 34 34 18161 1 . THR 35 35 18161 1 . SER 36 36 18161 1 . SER 37 37 18161 1 . GLN 38 38 18161 1 . ASP 39 39 18161 1 . ILE 40 40 18161 1 . ARG 41 41 18161 1 . ASP 42 42 18161 1 . ILE 43 43 18161 1 . ILE 44 44 18161 1 . LYS 45 45 18161 1 . SER 46 46 18161 1 . MET 47 47 18161 1 . LYS 48 48 18161 1 . ASP 49 49 18161 1 . ASN 50 50 18161 1 . GLY 51 51 18161 1 . LYS 52 52 18161 1 . PRO 53 53 18161 1 . LEU 54 54 18161 1 . VAL 55 55 18161 1 . VAL 56 56 18161 1 . PHE 57 57 18161 1 . VAL 58 58 18161 1 . ASN 59 59 18161 1 . GLY 60 60 18161 1 . ALA 61 61 18161 1 . SER 62 62 18161 1 . GLN 63 63 18161 1 . ASN 64 64 18161 1 . ASP 65 65 18161 1 . VAL 66 66 18161 1 . ASN 67 67 18161 1 . GLU 68 68 18161 1 . PHE 69 69 18161 1 . GLN 70 70 18161 1 . ASN 71 71 18161 1 . GLU 72 72 18161 1 . ALA 73 73 18161 1 . LYS 74 74 18161 1 . LYS 75 75 18161 1 . GLU 76 76 18161 1 . GLY 77 77 18161 1 . VAL 78 78 18161 1 . SER 79 79 18161 1 . TYR 80 80 18161 1 . ASP 81 81 18161 1 . VAL 82 82 18161 1 . LEU 83 83 18161 1 . LYS 84 84 18161 1 . SER 85 85 18161 1 . THR 86 86 18161 1 . ASP 87 87 18161 1 . PRO 88 88 18161 1 . GLU 89 89 18161 1 . GLU 90 90 18161 1 . LEU 91 91 18161 1 . THR 92 92 18161 1 . GLN 93 93 18161 1 . ARG 94 94 18161 1 . VAL 95 95 18161 1 . ARG 96 96 18161 1 . GLU 97 97 18161 1 . PHE 98 98 18161 1 . LEU 99 99 18161 1 . LYS 100 100 18161 1 . THR 101 101 18161 1 . ALA 102 102 18161 1 . GLY 103 103 18161 1 . SER 104 104 18161 1 . LEU 105 105 18161 1 . GLU 106 106 18161 1 . HIS 107 107 18161 1 . HIS 108 108 18161 1 . HIS 109 109 18161 1 . HIS 110 110 18161 1 . HIS 111 111 18161 1 . HIS 112 112 18161 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 18161 _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 $OR134 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18161 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 18161 _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 $OR134 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET29b+ . . . . . . 18161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 18161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mM [U-100% 13C; U-100% 15N] OR134, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR134 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $OR134 . . 1.3 . . mM . . . . 18161 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18161 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18161 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 18161 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.15 mM [U-5% 13C; U-100% 15N] OR134, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR134 '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $OR134 . . 1.15 . . mM . . . . 18161 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18161 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18161 2 stop_ save_ save_sample_NC5_RDC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_RDC _Sample.Entry_ID 18161 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.15 mM [U-5% 13C; U-100% 15N] OR134, 95% H2O/5% D2O, peg or phage' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR134 '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $OR134 . . 1.15 . . mM . . . . 18161 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18161 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18161 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18161 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18161 1 pressure 1 . atm 18161 1 temperature 298 . K 18161 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18161 _Software.ID 1 _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' . . 18161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18161 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18161 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18161 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18161 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18161 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18161 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18161 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18161 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18161 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18161 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18161 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18161 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18161 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18161 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18161 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18161 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18161 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18161 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18161 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18161 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18161 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18161 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18161 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18161 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18161 _Software.ID 11 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18161 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18161 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18161 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Rutgers _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18161 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details UGA _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18161 1 2 spectrometer_2 Varian INOVA . 600 Rutgers . . 18161 1 3 spectrometer_3 Varian INOVA . 600 UGA . . 18161 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 18161 _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_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18161 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18161 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_NC5_RDC isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18161 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 18161 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18161 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18161 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18161 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 18161 _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' . . . 18161 1 4 '3D CBCA(CO)NH' . . . 18161 1 5 '3D HNCACB' . . . 18161 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18161 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.759 0.020 . 2 . . . A 2 GLY HA2 . 18161 1 2 . 1 1 2 2 GLY HA3 H 1 3.615 0.020 . 2 . . . A 2 GLY HA3 . 18161 1 3 . 1 1 2 2 GLY C C 13 170.007 0.400 . 1 . . . A 2 GLY C . 18161 1 4 . 1 1 2 2 GLY CA C 13 43.762 0.400 . 1 . . . A 2 GLY CA . 18161 1 5 . 1 1 3 3 LYS H H 1 8.349 0.020 . 1 . . . A 3 LYS H . 18161 1 6 . 1 1 3 3 LYS HA H 1 4.759 0.020 . 1 . . . A 3 LYS HA . 18161 1 7 . 1 1 3 3 LYS HB2 H 1 1.713 0.020 . 2 . . . A 3 LYS HB2 . 18161 1 8 . 1 1 3 3 LYS HB3 H 1 1.886 0.020 . 2 . . . A 3 LYS HB3 . 18161 1 9 . 1 1 3 3 LYS HG2 H 1 1.428 0.020 . 2 . . . A 3 LYS HG2 . 18161 1 10 . 1 1 3 3 LYS HG3 H 1 1.402 0.020 . 2 . . . A 3 LYS HG3 . 18161 1 11 . 1 1 3 3 LYS HD2 H 1 1.613 0.020 . 1 . . . A 3 LYS HD2 . 18161 1 12 . 1 1 3 3 LYS HD3 H 1 1.614 0.020 . 1 . . . A 3 LYS HD3 . 18161 1 13 . 1 1 3 3 LYS HE2 H 1 2.740 0.020 . 2 . . . A 3 LYS HE2 . 18161 1 14 . 1 1 3 3 LYS HE3 H 1 2.822 0.020 . 2 . . . A 3 LYS HE3 . 18161 1 15 . 1 1 3 3 LYS C C 13 174.575 0.400 . 1 . . . A 3 LYS C . 18161 1 16 . 1 1 3 3 LYS CA C 13 55.894 0.400 . 1 . . . A 3 LYS CA . 18161 1 17 . 1 1 3 3 LYS CB C 13 34.690 0.400 . 1 . . . A 3 LYS CB . 18161 1 18 . 1 1 3 3 LYS CG C 13 25.051 0.400 . 1 . . . A 3 LYS CG . 18161 1 19 . 1 1 3 3 LYS CD C 13 29.296 0.400 . 1 . . . A 3 LYS CD . 18161 1 20 . 1 1 3 3 LYS CE C 13 41.978 0.400 . 1 . . . A 3 LYS CE . 18161 1 21 . 1 1 3 3 LYS N N 15 121.714 0.400 . 1 . . . A 3 LYS N . 18161 1 22 . 1 1 4 4 VAL H H 1 8.213 0.020 . 1 . . . A 4 VAL H . 18161 1 23 . 1 1 4 4 VAL HA H 1 5.313 0.020 . 1 . . . A 4 VAL HA . 18161 1 24 . 1 1 4 4 VAL HB H 1 2.028 0.020 . 1 . . . A 4 VAL HB . 18161 1 25 . 1 1 4 4 VAL HG11 H 1 0.773 0.020 . 2 . . . A 4 VAL HG11 . 18161 1 26 . 1 1 4 4 VAL HG12 H 1 0.773 0.020 . 2 . . . A 4 VAL HG12 . 18161 1 27 . 1 1 4 4 VAL HG13 H 1 0.773 0.020 . 2 . . . A 4 VAL HG13 . 18161 1 28 . 1 1 4 4 VAL HG21 H 1 1.037 0.020 . 2 . . . A 4 VAL HG21 . 18161 1 29 . 1 1 4 4 VAL HG22 H 1 1.037 0.020 . 2 . . . A 4 VAL HG22 . 18161 1 30 . 1 1 4 4 VAL HG23 H 1 1.037 0.020 . 2 . . . A 4 VAL HG23 . 18161 1 31 . 1 1 4 4 VAL C C 13 174.119 0.400 . 1 . . . A 4 VAL C . 18161 1 32 . 1 1 4 4 VAL CA C 13 60.007 0.400 . 1 . . . A 4 VAL CA . 18161 1 33 . 1 1 4 4 VAL CB C 13 35.415 0.400 . 1 . . . A 4 VAL CB . 18161 1 34 . 1 1 4 4 VAL CG1 C 13 21.402 0.400 . 1 . . . A 4 VAL CG1 . 18161 1 35 . 1 1 4 4 VAL CG2 C 13 22.563 0.400 . 1 . . . A 4 VAL CG2 . 18161 1 36 . 1 1 4 4 VAL N N 15 120.652 0.400 . 1 . . . A 4 VAL N . 18161 1 37 . 1 1 5 5 LEU H H 1 8.400 0.020 . 1 . . . A 5 LEU H . 18161 1 38 . 1 1 5 5 LEU HA H 1 4.475 0.020 . 1 . . . A 5 LEU HA . 18161 1 39 . 1 1 5 5 LEU HB2 H 1 0.904 0.020 . 2 . . . A 5 LEU HB2 . 18161 1 40 . 1 1 5 5 LEU HB3 H 1 -0.698 0.020 . 2 . . . A 5 LEU HB3 . 18161 1 41 . 1 1 5 5 LEU HG H 1 0.805 0.020 . 1 . . . A 5 LEU HG . 18161 1 42 . 1 1 5 5 LEU HD11 H 1 0.446 0.020 . 2 . . . A 5 LEU HD11 . 18161 1 43 . 1 1 5 5 LEU HD12 H 1 0.446 0.020 . 2 . . . A 5 LEU HD12 . 18161 1 44 . 1 1 5 5 LEU HD13 H 1 0.446 0.020 . 2 . . . A 5 LEU HD13 . 18161 1 45 . 1 1 5 5 LEU HD21 H 1 0.284 0.020 . 2 . . . A 5 LEU HD21 . 18161 1 46 . 1 1 5 5 LEU HD22 H 1 0.284 0.020 . 2 . . . A 5 LEU HD22 . 18161 1 47 . 1 1 5 5 LEU HD23 H 1 0.284 0.020 . 2 . . . A 5 LEU HD23 . 18161 1 48 . 1 1 5 5 LEU C C 13 173.133 0.400 . 1 . . . A 5 LEU C . 18161 1 49 . 1 1 5 5 LEU CA C 13 52.661 0.400 . 1 . . . A 5 LEU CA . 18161 1 50 . 1 1 5 5 LEU CB C 13 41.799 0.400 . 1 . . . A 5 LEU CB . 18161 1 51 . 1 1 5 5 LEU CG C 13 26.535 0.400 . 1 . . . A 5 LEU CG . 18161 1 52 . 1 1 5 5 LEU CD1 C 13 22.506 0.400 . 1 . . . A 5 LEU CD1 . 18161 1 53 . 1 1 5 5 LEU CD2 C 13 26.104 0.400 . 1 . . . A 5 LEU CD2 . 18161 1 54 . 1 1 5 5 LEU N N 15 129.714 0.400 . 1 . . . A 5 LEU N . 18161 1 55 . 1 1 6 6 LEU H H 1 8.854 0.020 . 1 . . . A 6 LEU H . 18161 1 56 . 1 1 6 6 LEU HA H 1 4.557 0.020 . 1 . . . A 6 LEU HA . 18161 1 57 . 1 1 6 6 LEU HB2 H 1 1.623 0.020 . 2 . . . A 6 LEU HB2 . 18161 1 58 . 1 1 6 6 LEU HB3 H 1 0.977 0.020 . 2 . . . A 6 LEU HB3 . 18161 1 59 . 1 1 6 6 LEU HG H 1 1.129 0.020 . 1 . . . A 6 LEU HG . 18161 1 60 . 1 1 6 6 LEU HD11 H 1 0.106 0.020 . 2 . . . A 6 LEU HD11 . 18161 1 61 . 1 1 6 6 LEU HD12 H 1 0.106 0.020 . 2 . . . A 6 LEU HD12 . 18161 1 62 . 1 1 6 6 LEU HD13 H 1 0.106 0.020 . 2 . . . A 6 LEU HD13 . 18161 1 63 . 1 1 6 6 LEU HD21 H 1 0.332 0.020 . 2 . . . A 6 LEU HD21 . 18161 1 64 . 1 1 6 6 LEU HD22 H 1 0.332 0.020 . 2 . . . A 6 LEU HD22 . 18161 1 65 . 1 1 6 6 LEU HD23 H 1 0.332 0.020 . 2 . . . A 6 LEU HD23 . 18161 1 66 . 1 1 6 6 LEU C C 13 173.758 0.400 . 1 . . . A 6 LEU C . 18161 1 67 . 1 1 6 6 LEU CA C 13 53.528 0.400 . 1 . . . A 6 LEU CA . 18161 1 68 . 1 1 6 6 LEU CB C 13 43.517 0.400 . 1 . . . A 6 LEU CB . 18161 1 69 . 1 1 6 6 LEU CG C 13 26.770 0.400 . 1 . . . A 6 LEU CG . 18161 1 70 . 1 1 6 6 LEU CD1 C 13 23.686 0.400 . 1 . . . A 6 LEU CD1 . 18161 1 71 . 1 1 6 6 LEU CD2 C 13 24.989 0.400 . 1 . . . A 6 LEU CD2 . 18161 1 72 . 1 1 6 6 LEU N N 15 129.544 0.400 . 1 . . . A 6 LEU N . 18161 1 73 . 1 1 7 7 VAL H H 1 8.931 0.020 . 1 . . . A 7 VAL H . 18161 1 74 . 1 1 7 7 VAL HA H 1 4.495 0.020 . 1 . . . A 7 VAL HA . 18161 1 75 . 1 1 7 7 VAL HB H 1 1.488 0.020 . 1 . . . A 7 VAL HB . 18161 1 76 . 1 1 7 7 VAL HG11 H 1 0.732 0.020 . 2 . . . A 7 VAL HG11 . 18161 1 77 . 1 1 7 7 VAL HG12 H 1 0.732 0.020 . 2 . . . A 7 VAL HG12 . 18161 1 78 . 1 1 7 7 VAL HG13 H 1 0.732 0.020 . 2 . . . A 7 VAL HG13 . 18161 1 79 . 1 1 7 7 VAL HG21 H 1 0.193 0.020 . 2 . . . A 7 VAL HG21 . 18161 1 80 . 1 1 7 7 VAL HG22 H 1 0.193 0.020 . 2 . . . A 7 VAL HG22 . 18161 1 81 . 1 1 7 7 VAL HG23 H 1 0.193 0.020 . 2 . . . A 7 VAL HG23 . 18161 1 82 . 1 1 7 7 VAL C C 13 174.022 0.400 . 1 . . . A 7 VAL C . 18161 1 83 . 1 1 7 7 VAL CA C 13 61.676 0.400 . 1 . . . A 7 VAL CA . 18161 1 84 . 1 1 7 7 VAL CB C 13 32.228 0.400 . 1 . . . A 7 VAL CB . 18161 1 85 . 1 1 7 7 VAL CG1 C 13 22.736 0.400 . 1 . . . A 7 VAL CG1 . 18161 1 86 . 1 1 7 7 VAL CG2 C 13 20.894 0.400 . 1 . . . A 7 VAL CG2 . 18161 1 87 . 1 1 7 7 VAL N N 15 126.599 0.400 . 1 . . . A 7 VAL N . 18161 1 88 . 1 1 8 8 ILE H H 1 8.846 0.020 . 1 . . . A 8 ILE H . 18161 1 89 . 1 1 8 8 ILE HA H 1 4.558 0.020 . 1 . . . A 8 ILE HA . 18161 1 90 . 1 1 8 8 ILE HB H 1 1.573 0.020 . 1 . . . A 8 ILE HB . 18161 1 91 . 1 1 8 8 ILE HG12 H 1 1.378 0.020 . 2 . . . A 8 ILE HG12 . 18161 1 92 . 1 1 8 8 ILE HG13 H 1 0.749 0.020 . 2 . . . A 8 ILE HG13 . 18161 1 93 . 1 1 8 8 ILE HG21 H 1 0.811 0.020 . 1 . . . A 8 ILE HG21 . 18161 1 94 . 1 1 8 8 ILE HG22 H 1 0.811 0.020 . 1 . . . A 8 ILE HG22 . 18161 1 95 . 1 1 8 8 ILE HG23 H 1 0.811 0.020 . 1 . . . A 8 ILE HG23 . 18161 1 96 . 1 1 8 8 ILE HD11 H 1 0.730 0.020 . 1 . . . A 8 ILE HD11 . 18161 1 97 . 1 1 8 8 ILE HD12 H 1 0.730 0.020 . 1 . . . A 8 ILE HD12 . 18161 1 98 . 1 1 8 8 ILE HD13 H 1 0.730 0.020 . 1 . . . A 8 ILE HD13 . 18161 1 99 . 1 1 8 8 ILE C C 13 174.575 0.400 . 1 . . . A 8 ILE C . 18161 1 100 . 1 1 8 8 ILE CA C 13 59.755 0.400 . 1 . . . A 8 ILE CA . 18161 1 101 . 1 1 8 8 ILE CB C 13 41.057 0.400 . 1 . . . A 8 ILE CB . 18161 1 102 . 1 1 8 8 ILE CG1 C 13 27.221 0.400 . 1 . . . A 8 ILE CG1 . 18161 1 103 . 1 1 8 8 ILE CG2 C 13 17.776 0.400 . 1 . . . A 8 ILE CG2 . 18161 1 104 . 1 1 8 8 ILE CD1 C 13 14.360 0.400 . 1 . . . A 8 ILE CD1 . 18161 1 105 . 1 1 8 8 ILE N N 15 126.316 0.400 . 1 . . . A 8 ILE N . 18161 1 106 . 1 1 9 9 SER H H 1 8.537 0.020 . 1 . . . A 9 SER H . 18161 1 107 . 1 1 9 9 SER HA H 1 4.823 0.020 . 1 . . . A 9 SER HA . 18161 1 108 . 1 1 9 9 SER HB2 H 1 3.891 0.020 . 2 . . . A 9 SER HB2 . 18161 1 109 . 1 1 9 9 SER HB3 H 1 3.582 0.020 . 2 . . . A 9 SER HB3 . 18161 1 110 . 1 1 9 9 SER C C 13 175.176 0.400 . 1 . . . A 9 SER C . 18161 1 111 . 1 1 9 9 SER CA C 13 56.959 0.400 . 1 . . . A 9 SER CA . 18161 1 112 . 1 1 9 9 SER CB C 13 65.618 0.400 . 1 . . . A 9 SER CB . 18161 1 113 . 1 1 9 9 SER N N 15 117.819 0.400 . 1 . . . A 9 SER N . 18161 1 114 . 1 1 10 10 THR H H 1 7.930 0.020 . 1 . . . A 10 THR H . 18161 1 115 . 1 1 10 10 THR HA H 1 4.326 0.020 . 1 . . . A 10 THR HA . 18161 1 116 . 1 1 10 10 THR HB H 1 4.438 0.020 . 1 . . . A 10 THR HB . 18161 1 117 . 1 1 10 10 THR HG21 H 1 1.202 0.020 . 1 . . . A 10 THR HG21 . 18161 1 118 . 1 1 10 10 THR HG22 H 1 1.202 0.020 . 1 . . . A 10 THR HG22 . 18161 1 119 . 1 1 10 10 THR HG23 H 1 1.202 0.020 . 1 . . . A 10 THR HG23 . 18161 1 120 . 1 1 10 10 THR C C 13 173.710 0.400 . 1 . . . A 10 THR C . 18161 1 121 . 1 1 10 10 THR CA C 13 62.303 0.400 . 1 . . . A 10 THR CA . 18161 1 122 . 1 1 10 10 THR CB C 13 68.721 0.400 . 1 . . . A 10 THR CB . 18161 1 123 . 1 1 10 10 THR CG2 C 13 21.930 0.400 . 1 . . . A 10 THR CG2 . 18161 1 124 . 1 1 10 10 THR N N 15 114.455 0.400 . 1 . . . A 10 THR N . 18161 1 125 . 1 1 11 11 ASP H H 1 7.713 0.020 . 1 . . . A 11 ASP H . 18161 1 126 . 1 1 11 11 ASP HA H 1 4.965 0.020 . 1 . . . A 11 ASP HA . 18161 1 127 . 1 1 11 11 ASP HB2 H 1 2.871 0.020 . 2 . . . A 11 ASP HB2 . 18161 1 128 . 1 1 11 11 ASP HB3 H 1 2.527 0.020 . 2 . . . A 11 ASP HB3 . 18161 1 129 . 1 1 11 11 ASP CA C 13 52.772 0.400 . 1 . . . A 11 ASP CA . 18161 1 130 . 1 1 11 11 ASP CB C 13 42.329 0.400 . 1 . . . A 11 ASP CB . 18161 1 131 . 1 1 11 11 ASP N N 15 120.935 0.400 . 1 . . . A 11 ASP N . 18161 1 132 . 1 1 12 12 THR HA H 1 4.003 0.020 . 1 . . . A 12 THR HA . 18161 1 133 . 1 1 12 12 THR HB H 1 4.276 0.020 . 1 . . . A 12 THR HB . 18161 1 134 . 1 1 12 12 THR HG21 H 1 1.284 0.020 . 1 . . . A 12 THR HG21 . 18161 1 135 . 1 1 12 12 THR HG22 H 1 1.284 0.020 . 1 . . . A 12 THR HG22 . 18161 1 136 . 1 1 12 12 THR HG23 H 1 1.284 0.020 . 1 . . . A 12 THR HG23 . 18161 1 137 . 1 1 12 12 THR C C 13 176.141 0.400 . 1 . . . A 12 THR C . 18161 1 138 . 1 1 12 12 THR CA C 13 64.742 0.400 . 1 . . . A 12 THR CA . 18161 1 139 . 1 1 12 12 THR CB C 13 68.620 0.400 . 1 . . . A 12 THR CB . 18161 1 140 . 1 1 12 12 THR CG2 C 13 21.859 0.400 . 1 . . . A 12 THR CG2 . 18161 1 141 . 1 1 13 13 ASN H H 1 8.618 0.020 . 1 . . . A 13 ASN H . 18161 1 142 . 1 1 13 13 ASN HA H 1 4.547 0.020 . 1 . . . A 13 ASN HA . 18161 1 143 . 1 1 13 13 ASN HB2 H 1 2.997 0.020 . 2 . . . A 13 ASN HB2 . 18161 1 144 . 1 1 13 13 ASN HB3 H 1 2.810 0.020 . 2 . . . A 13 ASN HB3 . 18161 1 145 . 1 1 13 13 ASN HD21 H 1 7.973 0.020 . 2 . . . A 13 ASN HD21 . 18161 1 146 . 1 1 13 13 ASN HD22 H 1 7.041 0.020 . 2 . . . A 13 ASN HD22 . 18161 1 147 . 1 1 13 13 ASN C C 13 177.821 0.400 . 1 . . . A 13 ASN C . 18161 1 148 . 1 1 13 13 ASN CA C 13 56.017 0.400 . 1 . . . A 13 ASN CA . 18161 1 149 . 1 1 13 13 ASN CB C 13 38.150 0.400 . 1 . . . A 13 ASN CB . 18161 1 150 . 1 1 13 13 ASN N N 15 121.260 0.400 . 1 . . . A 13 ASN N . 18161 1 151 . 1 1 13 13 ASN ND2 N 15 115.077 0.400 . 1 . . . A 13 ASN ND2 . 18161 1 152 . 1 1 14 14 ILE H H 1 7.728 0.020 . 1 . . . A 14 ILE H . 18161 1 153 . 1 1 14 14 ILE HA H 1 3.924 0.020 . 1 . . . A 14 ILE HA . 18161 1 154 . 1 1 14 14 ILE HB H 1 2.094 0.020 . 1 . . . A 14 ILE HB . 18161 1 155 . 1 1 14 14 ILE HG12 H 1 1.321 0.020 . 2 . . . A 14 ILE HG12 . 18161 1 156 . 1 1 14 14 ILE HG13 H 1 1.543 0.020 . 2 . . . A 14 ILE HG13 . 18161 1 157 . 1 1 14 14 ILE HG21 H 1 0.785 0.020 . 1 . . . A 14 ILE HG21 . 18161 1 158 . 1 1 14 14 ILE HG22 H 1 0.785 0.020 . 1 . . . A 14 ILE HG22 . 18161 1 159 . 1 1 14 14 ILE HG23 H 1 0.785 0.020 . 1 . . . A 14 ILE HG23 . 18161 1 160 . 1 1 14 14 ILE HD11 H 1 0.859 0.020 . 1 . . . A 14 ILE HD11 . 18161 1 161 . 1 1 14 14 ILE HD12 H 1 0.859 0.020 . 1 . . . A 14 ILE HD12 . 18161 1 162 . 1 1 14 14 ILE HD13 H 1 0.859 0.020 . 1 . . . A 14 ILE HD13 . 18161 1 163 . 1 1 14 14 ILE C C 13 177.533 0.400 . 1 . . . A 14 ILE C . 18161 1 164 . 1 1 14 14 ILE CA C 13 63.172 0.400 . 1 . . . A 14 ILE CA . 18161 1 165 . 1 1 14 14 ILE CB C 13 37.182 0.400 . 1 . . . A 14 ILE CB . 18161 1 166 . 1 1 14 14 ILE CG1 C 13 27.890 0.400 . 1 . . . A 14 ILE CG1 . 18161 1 167 . 1 1 14 14 ILE CG2 C 13 17.360 0.400 . 1 . . . A 14 ILE CG2 . 18161 1 168 . 1 1 14 14 ILE CD1 C 13 12.173 0.400 . 1 . . . A 14 ILE CD1 . 18161 1 169 . 1 1 14 14 ILE N N 15 120.595 0.400 . 1 . . . A 14 ILE N . 18161 1 170 . 1 1 15 15 ILE H H 1 7.452 0.020 . 1 . . . A 15 ILE H . 18161 1 171 . 1 1 15 15 ILE HA H 1 3.612 0.020 . 1 . . . A 15 ILE HA . 18161 1 172 . 1 1 15 15 ILE HB H 1 1.916 0.020 . 1 . . . A 15 ILE HB . 18161 1 173 . 1 1 15 15 ILE HG12 H 1 1.328 0.020 . 2 . . . A 15 ILE HG12 . 18161 1 174 . 1 1 15 15 ILE HG13 H 1 1.581 0.020 . 2 . . . A 15 ILE HG13 . 18161 1 175 . 1 1 15 15 ILE HG21 H 1 0.855 0.020 . 1 . . . A 15 ILE HG21 . 18161 1 176 . 1 1 15 15 ILE HG22 H 1 0.855 0.020 . 1 . . . A 15 ILE HG22 . 18161 1 177 . 1 1 15 15 ILE HG23 H 1 0.855 0.020 . 1 . . . A 15 ILE HG23 . 18161 1 178 . 1 1 15 15 ILE HD11 H 1 0.847 0.020 . 1 . . . A 15 ILE HD11 . 18161 1 179 . 1 1 15 15 ILE HD12 H 1 0.847 0.020 . 1 . . . A 15 ILE HD12 . 18161 1 180 . 1 1 15 15 ILE HD13 H 1 0.847 0.020 . 1 . . . A 15 ILE HD13 . 18161 1 181 . 1 1 15 15 ILE C C 13 177.052 0.400 . 1 . . . A 15 ILE C . 18161 1 182 . 1 1 15 15 ILE CA C 13 63.429 0.400 . 1 . . . A 15 ILE CA . 18161 1 183 . 1 1 15 15 ILE CB C 13 36.900 0.400 . 1 . . . A 15 ILE CB . 18161 1 184 . 1 1 15 15 ILE CG1 C 13 28.208 0.400 . 1 . . . A 15 ILE CG1 . 18161 1 185 . 1 1 15 15 ILE CG2 C 13 17.360 0.400 . 1 . . . A 15 ILE CG2 . 18161 1 186 . 1 1 15 15 ILE CD1 C 13 12.230 0.400 . 1 . . . A 15 ILE CD1 . 18161 1 187 . 1 1 15 15 ILE N N 15 118.896 0.400 . 1 . . . A 15 ILE N . 18161 1 188 . 1 1 16 16 SER H H 1 7.981 0.020 . 1 . . . A 16 SER H . 18161 1 189 . 1 1 16 16 SER HA H 1 4.057 0.020 . 1 . . . A 16 SER HA . 18161 1 190 . 1 1 16 16 SER HB2 H 1 3.902 0.020 . 2 . . . A 16 SER HB2 . 18161 1 191 . 1 1 16 16 SER HB3 H 1 3.965 0.020 . 2 . . . A 16 SER HB3 . 18161 1 192 . 1 1 16 16 SER C C 13 176.427 0.400 . 1 . . . A 16 SER C . 18161 1 193 . 1 1 16 16 SER CA C 13 61.598 0.400 . 1 . . . A 16 SER CA . 18161 1 194 . 1 1 16 16 SER CB C 13 62.681 0.400 . 1 . . . A 16 SER CB . 18161 1 195 . 1 1 16 16 SER N N 15 114.833 0.400 . 1 . . . A 16 SER N . 18161 1 196 . 1 1 17 17 SER H H 1 7.732 0.020 . 1 . . . A 17 SER H . 18161 1 197 . 1 1 17 17 SER HA H 1 4.250 0.020 . 1 . . . A 17 SER HA . 18161 1 198 . 1 1 17 17 SER HB2 H 1 3.965 0.020 . 1 . . . A 17 SER HB2 . 18161 1 199 . 1 1 17 17 SER HB3 H 1 3.966 0.020 . 1 . . . A 17 SER HB3 . 18161 1 200 . 1 1 17 17 SER C C 13 176.908 0.400 . 1 . . . A 17 SER C . 18161 1 201 . 1 1 17 17 SER CA C 13 61.301 0.400 . 1 . . . A 17 SER CA . 18161 1 202 . 1 1 17 17 SER CB C 13 62.948 0.400 . 1 . . . A 17 SER CB . 18161 1 203 . 1 1 17 17 SER N N 15 116.552 0.400 . 1 . . . A 17 SER N . 18161 1 204 . 1 1 18 18 VAL H H 1 8.115 0.020 . 1 . . . A 18 VAL H . 18161 1 205 . 1 1 18 18 VAL HA H 1 3.671 0.020 . 1 . . . A 18 VAL HA . 18161 1 206 . 1 1 18 18 VAL HB H 1 2.093 0.020 . 1 . . . A 18 VAL HB . 18161 1 207 . 1 1 18 18 VAL HG11 H 1 1.049 0.020 . 2 . . . A 18 VAL HG11 . 18161 1 208 . 1 1 18 18 VAL HG12 H 1 1.049 0.020 . 2 . . . A 18 VAL HG12 . 18161 1 209 . 1 1 18 18 VAL HG13 H 1 1.049 0.020 . 2 . . . A 18 VAL HG13 . 18161 1 210 . 1 1 18 18 VAL HG21 H 1 1.140 0.020 . 2 . . . A 18 VAL HG21 . 18161 1 211 . 1 1 18 18 VAL HG22 H 1 1.140 0.020 . 2 . . . A 18 VAL HG22 . 18161 1 212 . 1 1 18 18 VAL HG23 H 1 1.140 0.020 . 2 . . . A 18 VAL HG23 . 18161 1 213 . 1 1 18 18 VAL C C 13 178.014 0.400 . 1 . . . A 18 VAL C . 18161 1 214 . 1 1 18 18 VAL CA C 13 66.150 0.400 . 1 . . . A 18 VAL CA . 18161 1 215 . 1 1 18 18 VAL CB C 13 31.615 0.400 . 1 . . . A 18 VAL CB . 18161 1 216 . 1 1 18 18 VAL CG1 C 13 21.182 0.400 . 1 . . . A 18 VAL CG1 . 18161 1 217 . 1 1 18 18 VAL CG2 C 13 22.956 0.400 . 1 . . . A 18 VAL CG2 . 18161 1 218 . 1 1 18 18 VAL N N 15 121.898 0.400 . 1 . . . A 18 VAL N . 18161 1 219 . 1 1 19 19 GLN H H 1 8.293 0.020 . 1 . . . A 19 GLN H . 18161 1 220 . 1 1 19 19 GLN HA H 1 3.250 0.020 . 1 . . . A 19 GLN HA . 18161 1 221 . 1 1 19 19 GLN HB2 H 1 1.296 0.020 . 2 . . . A 19 GLN HB2 . 18161 1 222 . 1 1 19 19 GLN HB3 H 1 1.669 0.020 . 2 . . . A 19 GLN HB3 . 18161 1 223 . 1 1 19 19 GLN HG2 H 1 1.774 0.020 . 1 . . . A 19 GLN HG2 . 18161 1 224 . 1 1 19 19 GLN HG3 H 1 1.774 0.020 . 1 . . . A 19 GLN HG3 . 18161 1 225 . 1 1 19 19 GLN HE21 H 1 6.737 0.020 . 2 . . . A 19 GLN HE21 . 18161 1 226 . 1 1 19 19 GLN HE22 H 1 6.680 0.020 . 2 . . . A 19 GLN HE22 . 18161 1 227 . 1 1 19 19 GLN C C 13 177.581 0.400 . 1 . . . A 19 GLN C . 18161 1 228 . 1 1 19 19 GLN CA C 13 59.410 0.400 . 1 . . . A 19 GLN CA . 18161 1 229 . 1 1 19 19 GLN CB C 13 28.150 0.400 . 1 . . . A 19 GLN CB . 18161 1 230 . 1 1 19 19 GLN CG C 13 34.105 0.400 . 1 . . . A 19 GLN CG . 18161 1 231 . 1 1 19 19 GLN N N 15 120.652 0.400 . 1 . . . A 19 GLN N . 18161 1 232 . 1 1 19 19 GLN NE2 N 15 109.210 0.400 . 1 . . . A 19 GLN NE2 . 18161 1 233 . 1 1 20 20 GLU H H 1 7.929 0.020 . 1 . . . A 20 GLU H . 18161 1 234 . 1 1 20 20 GLU HA H 1 3.927 0.020 . 1 . . . A 20 GLU HA . 18161 1 235 . 1 1 20 20 GLU HB2 H 1 2.090 0.020 . 1 . . . A 20 GLU HB2 . 18161 1 236 . 1 1 20 20 GLU HB3 H 1 2.089 0.020 . 1 . . . A 20 GLU HB3 . 18161 1 237 . 1 1 20 20 GLU HG2 H 1 2.310 0.020 . 1 . . . A 20 GLU HG2 . 18161 1 238 . 1 1 20 20 GLU HG3 H 1 2.310 0.020 . 1 . . . A 20 GLU HG3 . 18161 1 239 . 1 1 20 20 GLU C C 13 178.783 0.400 . 1 . . . A 20 GLU C . 18161 1 240 . 1 1 20 20 GLU CA C 13 58.953 0.400 . 1 . . . A 20 GLU CA . 18161 1 241 . 1 1 20 20 GLU CB C 13 29.061 0.400 . 1 . . . A 20 GLU CB . 18161 1 242 . 1 1 20 20 GLU CG C 13 36.010 0.400 . 1 . . . A 20 GLU CG . 18161 1 243 . 1 1 20 20 GLU N N 15 118.756 0.400 . 1 . . . A 20 GLU N . 18161 1 244 . 1 1 21 21 ARG H H 1 7.664 0.020 . 1 . . . A 21 ARG H . 18161 1 245 . 1 1 21 21 ARG HA H 1 4.080 0.020 . 1 . . . A 21 ARG HA . 18161 1 246 . 1 1 21 21 ARG HB2 H 1 1.965 0.020 . 2 . . . A 21 ARG HB2 . 18161 1 247 . 1 1 21 21 ARG HB3 H 1 1.949 0.020 . 2 . . . A 21 ARG HB3 . 18161 1 248 . 1 1 21 21 ARG HG2 H 1 1.720 0.020 . 2 . . . A 21 ARG HG2 . 18161 1 249 . 1 1 21 21 ARG HG3 H 1 1.839 0.020 . 2 . . . A 21 ARG HG3 . 18161 1 250 . 1 1 21 21 ARG HD2 H 1 3.167 0.020 . 1 . . . A 21 ARG HD2 . 18161 1 251 . 1 1 21 21 ARG HD3 H 1 3.168 0.020 . 1 . . . A 21 ARG HD3 . 18161 1 252 . 1 1 21 21 ARG C C 13 178.615 0.400 . 1 . . . A 21 ARG C . 18161 1 253 . 1 1 21 21 ARG CA C 13 58.730 0.400 . 1 . . . A 21 ARG CA . 18161 1 254 . 1 1 21 21 ARG CB C 13 29.846 0.400 . 1 . . . A 21 ARG CB . 18161 1 255 . 1 1 21 21 ARG CG C 13 27.103 0.400 . 1 . . . A 21 ARG CG . 18161 1 256 . 1 1 21 21 ARG CD C 13 43.646 0.400 . 1 . . . A 21 ARG CD . 18161 1 257 . 1 1 21 21 ARG N N 15 118.499 0.400 . 1 . . . A 21 ARG N . 18161 1 258 . 1 1 22 22 ALA H H 1 8.276 0.020 . 1 . . . A 22 ALA H . 18161 1 259 . 1 1 22 22 ALA HA H 1 4.389 0.020 . 1 . . . A 22 ALA HA . 18161 1 260 . 1 1 22 22 ALA HB1 H 1 1.627 0.020 . 1 . . . A 22 ALA HB1 . 18161 1 261 . 1 1 22 22 ALA HB2 H 1 1.627 0.020 . 1 . . . A 22 ALA HB2 . 18161 1 262 . 1 1 22 22 ALA HB3 H 1 1.627 0.020 . 1 . . . A 22 ALA HB3 . 18161 1 263 . 1 1 22 22 ALA C C 13 178.903 0.400 . 1 . . . A 22 ALA C . 18161 1 264 . 1 1 22 22 ALA CA C 13 55.271 0.400 . 1 . . . A 22 ALA CA . 18161 1 265 . 1 1 22 22 ALA CB C 13 17.817 0.400 . 1 . . . A 22 ALA CB . 18161 1 266 . 1 1 22 22 ALA N N 15 122.068 0.400 . 1 . . . A 22 ALA N . 18161 1 267 . 1 1 23 23 LYS H H 1 8.156 0.020 . 1 . . . A 23 LYS H . 18161 1 268 . 1 1 23 23 LYS HA H 1 4.172 0.020 . 1 . . . A 23 LYS HA . 18161 1 269 . 1 1 23 23 LYS HB2 H 1 1.840 0.020 . 2 . . . A 23 LYS HB2 . 18161 1 270 . 1 1 23 23 LYS HB3 H 1 1.894 0.020 . 2 . . . A 23 LYS HB3 . 18161 1 271 . 1 1 23 23 LYS HG2 H 1 1.592 0.020 . 2 . . . A 23 LYS HG2 . 18161 1 272 . 1 1 23 23 LYS HG3 H 1 1.416 0.020 . 2 . . . A 23 LYS HG3 . 18161 1 273 . 1 1 23 23 LYS HD2 H 1 1.653 0.020 . 1 . . . A 23 LYS HD2 . 18161 1 274 . 1 1 23 23 LYS HD3 H 1 1.653 0.020 . 1 . . . A 23 LYS HD3 . 18161 1 275 . 1 1 23 23 LYS HE2 H 1 2.933 0.020 . 2 . . . A 23 LYS HE2 . 18161 1 276 . 1 1 23 23 LYS HE3 H 1 2.861 0.020 . 2 . . . A 23 LYS HE3 . 18161 1 277 . 1 1 23 23 LYS C C 13 177.773 0.400 . 1 . . . A 23 LYS C . 18161 1 278 . 1 1 23 23 LYS CA C 13 58.686 0.400 . 1 . . . A 23 LYS CA . 18161 1 279 . 1 1 23 23 LYS CB C 13 32.287 0.400 . 1 . . . A 23 LYS CB . 18161 1 280 . 1 1 23 23 LYS CG C 13 25.752 0.400 . 1 . . . A 23 LYS CG . 18161 1 281 . 1 1 23 23 LYS CD C 13 29.518 0.400 . 1 . . . A 23 LYS CD . 18161 1 282 . 1 1 23 23 LYS CE C 13 41.780 0.400 . 1 . . . A 23 LYS CE . 18161 1 283 . 1 1 23 23 LYS N N 15 116.347 0.400 . 1 . . . A 23 LYS N . 18161 1 284 . 1 1 24 24 HIS H H 1 7.588 0.020 . 1 . . . A 24 HIS H . 18161 1 285 . 1 1 24 24 HIS HA H 1 4.420 0.020 . 1 . . . A 24 HIS HA . 18161 1 286 . 1 1 24 24 HIS HB2 H 1 3.196 0.020 . 2 . . . A 24 HIS HB2 . 18161 1 287 . 1 1 24 24 HIS HB3 H 1 3.122 0.020 . 2 . . . A 24 HIS HB3 . 18161 1 288 . 1 1 24 24 HIS HD2 H 1 7.005 0.020 . 1 . . . A 24 HIS HD2 . 18161 1 289 . 1 1 24 24 HIS CA C 13 57.931 0.400 . 1 . . . A 24 HIS CA . 18161 1 290 . 1 1 24 24 HIS CB C 13 30.724 0.400 . 1 . . . A 24 HIS CB . 18161 1 291 . 1 1 24 24 HIS CD2 C 13 120.175 0.400 . 1 . . . A 24 HIS CD2 . 18161 1 292 . 1 1 24 24 HIS N N 15 116.403 0.400 . 1 . . . A 24 HIS N . 18161 1 293 . 1 1 25 25 ASN HA H 1 4.568 0.020 . 1 . . . A 25 ASN HA . 18161 1 294 . 1 1 25 25 ASN HB2 H 1 2.244 0.020 . 2 . . . A 25 ASN HB2 . 18161 1 295 . 1 1 25 25 ASN HB3 H 1 2.422 0.020 . 2 . . . A 25 ASN HB3 . 18161 1 296 . 1 1 25 25 ASN HD21 H 1 7.465 0.020 . 2 . . . A 25 ASN HD21 . 18161 1 297 . 1 1 25 25 ASN HD22 H 1 7.013 0.020 . 2 . . . A 25 ASN HD22 . 18161 1 298 . 1 1 25 25 ASN C C 13 173.902 0.400 . 1 . . . A 25 ASN C . 18161 1 299 . 1 1 25 25 ASN CA C 13 54.153 0.400 . 1 . . . A 25 ASN CA . 18161 1 300 . 1 1 25 25 ASN CB C 13 41.028 0.400 . 1 . . . A 25 ASN CB . 18161 1 301 . 1 1 25 25 ASN ND2 N 15 112.830 0.400 . 1 . . . A 25 ASN ND2 . 18161 1 302 . 1 1 26 26 TYR H H 1 8.039 0.020 . 1 . . . A 26 TYR H . 18161 1 303 . 1 1 26 26 TYR HA H 1 4.996 0.020 . 1 . . . A 26 TYR HA . 18161 1 304 . 1 1 26 26 TYR HB2 H 1 2.738 0.020 . 2 . . . A 26 TYR HB2 . 18161 1 305 . 1 1 26 26 TYR HB3 H 1 2.951 0.020 . 2 . . . A 26 TYR HB3 . 18161 1 306 . 1 1 26 26 TYR HD1 H 1 7.184 0.020 . 1 . . . A 26 TYR HD1 . 18161 1 307 . 1 1 26 26 TYR HD2 H 1 7.184 0.020 . 1 . . . A 26 TYR HD2 . 18161 1 308 . 1 1 26 26 TYR HE1 H 1 6.761 0.020 . 1 . . . A 26 TYR HE1 . 18161 1 309 . 1 1 26 26 TYR HE2 H 1 6.761 0.020 . 1 . . . A 26 TYR HE2 . 18161 1 310 . 1 1 26 26 TYR CA C 13 55.793 0.400 . 1 . . . A 26 TYR CA . 18161 1 311 . 1 1 26 26 TYR CB C 13 39.387 0.400 . 1 . . . A 26 TYR CB . 18161 1 312 . 1 1 26 26 TYR CD1 C 13 133.554 0.400 . 1 . . . A 26 TYR CD1 . 18161 1 313 . 1 1 26 26 TYR CD2 C 13 133.996 0.400 . 1 . . . A 26 TYR CD2 . 18161 1 314 . 1 1 26 26 TYR CE1 C 13 117.617 0.400 . 1 . . . A 26 TYR CE1 . 18161 1 315 . 1 1 26 26 TYR CE2 C 13 117.910 0.400 . 1 . . . A 26 TYR CE2 . 18161 1 316 . 1 1 26 26 TYR N N 15 118.565 0.400 . 1 . . . A 26 TYR N . 18161 1 317 . 1 1 27 27 PRO HA H 1 4.442 0.020 . 1 . . . A 27 PRO HA . 18161 1 318 . 1 1 27 27 PRO HB2 H 1 1.900 0.020 . 2 . . . A 27 PRO HB2 . 18161 1 319 . 1 1 27 27 PRO HB3 H 1 2.258 0.020 . 2 . . . A 27 PRO HB3 . 18161 1 320 . 1 1 27 27 PRO HG2 H 1 2.122 0.020 . 2 . . . A 27 PRO HG2 . 18161 1 321 . 1 1 27 27 PRO HG3 H 1 1.999 0.020 . 2 . . . A 27 PRO HG3 . 18161 1 322 . 1 1 27 27 PRO HD2 H 1 3.870 0.020 . 2 . . . A 27 PRO HD2 . 18161 1 323 . 1 1 27 27 PRO HD3 H 1 3.658 0.020 . 2 . . . A 27 PRO HD3 . 18161 1 324 . 1 1 27 27 PRO C C 13 177.193 0.400 . 1 . . . A 27 PRO C . 18161 1 325 . 1 1 27 27 PRO CA C 13 62.903 0.400 . 1 . . . A 27 PRO CA . 18161 1 326 . 1 1 27 27 PRO CB C 13 32.278 0.400 . 1 . . . A 27 PRO CB . 18161 1 327 . 1 1 27 27 PRO CG C 13 27.955 0.400 . 1 . . . A 27 PRO CG . 18161 1 328 . 1 1 27 27 PRO CD C 13 50.799 0.400 . 1 . . . A 27 PRO CD . 18161 1 329 . 1 1 28 28 GLY H H 1 8.567 0.020 . 1 . . . A 28 GLY H . 18161 1 330 . 1 1 28 28 GLY HA2 H 1 3.825 0.020 . 2 . . . A 28 GLY HA2 . 18161 1 331 . 1 1 28 28 GLY HA3 H 1 4.078 0.020 . 2 . . . A 28 GLY HA3 . 18161 1 332 . 1 1 28 28 GLY CA C 13 46.992 0.400 . 1 . . . A 28 GLY CA . 18161 1 333 . 1 1 28 28 GLY N N 15 110.089 0.400 . 1 . . . A 28 GLY N . 18161 1 334 . 1 1 29 29 ARG HA H 1 4.227 0.020 . 1 . . . A 29 ARG HA . 18161 1 335 . 1 1 29 29 ARG HB2 H 1 1.642 0.020 . 1 . . . A 29 ARG HB2 . 18161 1 336 . 1 1 29 29 ARG HB3 H 1 1.643 0.020 . 1 . . . A 29 ARG HB3 . 18161 1 337 . 1 1 29 29 ARG HG2 H 1 1.230 0.020 . 1 . . . A 29 ARG HG2 . 18161 1 338 . 1 1 29 29 ARG HG3 H 1 1.231 0.020 . 1 . . . A 29 ARG HG3 . 18161 1 339 . 1 1 29 29 ARG HD2 H 1 2.964 0.020 . 2 . . . A 29 ARG HD2 . 18161 1 340 . 1 1 29 29 ARG HD3 H 1 2.966 0.020 . 2 . . . A 29 ARG HD3 . 18161 1 341 . 1 1 29 29 ARG CA C 13 56.887 0.400 . 1 . . . A 29 ARG CA . 18161 1 342 . 1 1 29 29 ARG CB C 13 28.870 0.400 . 1 . . . A 29 ARG CB . 18161 1 343 . 1 1 29 29 ARG CG C 13 25.897 0.400 . 1 . . . A 29 ARG CG . 18161 1 344 . 1 1 29 29 ARG CD C 13 43.100 0.400 . 1 . . . A 29 ARG CD . 18161 1 345 . 1 1 30 30 TYR HA H 1 4.716 0.020 . 1 . . . A 30 TYR HA . 18161 1 346 . 1 1 30 30 TYR HB2 H 1 3.476 0.020 . 2 . . . A 30 TYR HB2 . 18161 1 347 . 1 1 30 30 TYR HB3 H 1 2.762 0.020 . 2 . . . A 30 TYR HB3 . 18161 1 348 . 1 1 30 30 TYR HD1 H 1 7.275 0.020 . 1 . . . A 30 TYR HD1 . 18161 1 349 . 1 1 30 30 TYR HD2 H 1 7.275 0.020 . 1 . . . A 30 TYR HD2 . 18161 1 350 . 1 1 30 30 TYR HE1 H 1 6.831 0.020 . 1 . . . A 30 TYR HE1 . 18161 1 351 . 1 1 30 30 TYR HE2 H 1 6.831 0.020 . 1 . . . A 30 TYR HE2 . 18161 1 352 . 1 1 30 30 TYR C C 13 173.493 0.400 . 1 . . . A 30 TYR C . 18161 1 353 . 1 1 30 30 TYR CA C 13 63.528 0.400 . 1 . . . A 30 TYR CA . 18161 1 354 . 1 1 30 30 TYR CB C 13 39.452 0.400 . 1 . . . A 30 TYR CB . 18161 1 355 . 1 1 30 30 TYR CD1 C 13 133.234 0.400 . 1 . . . A 30 TYR CD1 . 18161 1 356 . 1 1 30 30 TYR CD2 C 13 132.656 0.400 . 1 . . . A 30 TYR CD2 . 18161 1 357 . 1 1 30 30 TYR CE1 C 13 117.910 0.400 . 1 . . . A 30 TYR CE1 . 18161 1 358 . 1 1 30 30 TYR CE2 C 13 117.671 0.400 . 1 . . . A 30 TYR CE2 . 18161 1 359 . 1 1 31 31 ILE H H 1 7.719 0.020 . 1 . . . A 31 ILE H . 18161 1 360 . 1 1 31 31 ILE HA H 1 5.093 0.020 . 1 . . . A 31 ILE HA . 18161 1 361 . 1 1 31 31 ILE HB H 1 1.941 0.020 . 1 . . . A 31 ILE HB . 18161 1 362 . 1 1 31 31 ILE HG12 H 1 1.525 0.020 . 2 . . . A 31 ILE HG12 . 18161 1 363 . 1 1 31 31 ILE HG13 H 1 1.263 0.020 . 2 . . . A 31 ILE HG13 . 18161 1 364 . 1 1 31 31 ILE HG21 H 1 1.034 0.020 . 1 . . . A 31 ILE HG21 . 18161 1 365 . 1 1 31 31 ILE HG22 H 1 1.034 0.020 . 1 . . . A 31 ILE HG22 . 18161 1 366 . 1 1 31 31 ILE HG23 H 1 1.034 0.020 . 1 . . . A 31 ILE HG23 . 18161 1 367 . 1 1 31 31 ILE HD11 H 1 0.860 0.020 . 1 . . . A 31 ILE HD11 . 18161 1 368 . 1 1 31 31 ILE HD12 H 1 0.860 0.020 . 1 . . . A 31 ILE HD12 . 18161 1 369 . 1 1 31 31 ILE HD13 H 1 0.860 0.020 . 1 . . . A 31 ILE HD13 . 18161 1 370 . 1 1 31 31 ILE C C 13 175.128 0.400 . 1 . . . A 31 ILE C . 18161 1 371 . 1 1 31 31 ILE CA C 13 59.646 0.400 . 1 . . . A 31 ILE CA . 18161 1 372 . 1 1 31 31 ILE CB C 13 40.302 0.400 . 1 . . . A 31 ILE CB . 18161 1 373 . 1 1 31 31 ILE CG1 C 13 27.451 0.400 . 1 . . . A 31 ILE CG1 . 18161 1 374 . 1 1 31 31 ILE CG2 C 13 18.457 0.400 . 1 . . . A 31 ILE CG2 . 18161 1 375 . 1 1 31 31 ILE CD1 C 13 13.410 0.400 . 1 . . . A 31 ILE CD1 . 18161 1 376 . 1 1 31 31 ILE N N 15 118.868 0.400 . 1 . . . A 31 ILE N . 18161 1 377 . 1 1 32 32 ARG H H 1 9.246 0.020 . 1 . . . A 32 ARG H . 18161 1 378 . 1 1 32 32 ARG HA H 1 4.916 0.020 . 1 . . . A 32 ARG HA . 18161 1 379 . 1 1 32 32 ARG HB2 H 1 1.917 0.020 . 2 . . . A 32 ARG HB2 . 18161 1 380 . 1 1 32 32 ARG HB3 H 1 1.665 0.020 . 2 . . . A 32 ARG HB3 . 18161 1 381 . 1 1 32 32 ARG HG2 H 1 1.625 0.020 . 1 . . . A 32 ARG HG2 . 18161 1 382 . 1 1 32 32 ARG HG3 H 1 1.625 0.020 . 1 . . . A 32 ARG HG3 . 18161 1 383 . 1 1 32 32 ARG HD2 H 1 3.276 0.020 . 1 . . . A 32 ARG HD2 . 18161 1 384 . 1 1 32 32 ARG HD3 H 1 3.276 0.020 . 1 . . . A 32 ARG HD3 . 18161 1 385 . 1 1 32 32 ARG C C 13 174.431 0.400 . 1 . . . A 32 ARG C . 18161 1 386 . 1 1 32 32 ARG CA C 13 53.599 0.400 . 1 . . . A 32 ARG CA . 18161 1 387 . 1 1 32 32 ARG CB C 13 34.801 0.400 . 1 . . . A 32 ARG CB . 18161 1 388 . 1 1 32 32 ARG CG C 13 27.310 0.400 . 1 . . . A 32 ARG CG . 18161 1 389 . 1 1 32 32 ARG CD C 13 42.706 0.400 . 1 . . . A 32 ARG CD . 18161 1 390 . 1 1 32 32 ARG N N 15 125.353 0.400 . 1 . . . A 32 ARG N . 18161 1 391 . 1 1 33 33 THR H H 1 8.568 0.020 . 1 . . . A 33 THR H . 18161 1 392 . 1 1 33 33 THR HA H 1 5.167 0.020 . 1 . . . A 33 THR HA . 18161 1 393 . 1 1 33 33 THR HB H 1 3.998 0.020 . 1 . . . A 33 THR HB . 18161 1 394 . 1 1 33 33 THR HG21 H 1 1.209 0.020 . 1 . . . A 33 THR HG21 . 18161 1 395 . 1 1 33 33 THR HG22 H 1 1.209 0.020 . 1 . . . A 33 THR HG22 . 18161 1 396 . 1 1 33 33 THR HG23 H 1 1.209 0.020 . 1 . . . A 33 THR HG23 . 18161 1 397 . 1 1 33 33 THR C C 13 173.325 0.400 . 1 . . . A 33 THR C . 18161 1 398 . 1 1 33 33 THR CA C 13 61.031 0.400 . 1 . . . A 33 THR CA . 18161 1 399 . 1 1 33 33 THR CB C 13 70.351 0.400 . 1 . . . A 33 THR CB . 18161 1 400 . 1 1 33 33 THR CG2 C 13 22.045 0.400 . 1 . . . A 33 THR CG2 . 18161 1 401 . 1 1 33 33 THR N N 15 116.017 0.400 . 1 . . . A 33 THR N . 18161 1 402 . 1 1 34 34 ALA H H 1 8.729 0.020 . 1 . . . A 34 ALA H . 18161 1 403 . 1 1 34 34 ALA HA H 1 4.844 0.020 . 1 . . . A 34 ALA HA . 18161 1 404 . 1 1 34 34 ALA HB1 H 1 1.078 0.020 . 1 . . . A 34 ALA HB1 . 18161 1 405 . 1 1 34 34 ALA HB2 H 1 1.078 0.020 . 1 . . . A 34 ALA HB2 . 18161 1 406 . 1 1 34 34 ALA HB3 H 1 1.078 0.020 . 1 . . . A 34 ALA HB3 . 18161 1 407 . 1 1 34 34 ALA C C 13 175.898 0.400 . 1 . . . A 34 ALA C . 18161 1 408 . 1 1 34 34 ALA CA C 13 50.522 0.400 . 1 . . . A 34 ALA CA . 18161 1 409 . 1 1 34 34 ALA CB C 13 19.981 0.400 . 1 . . . A 34 ALA CB . 18161 1 410 . 1 1 34 34 ALA N N 15 126.429 0.400 . 1 . . . A 34 ALA N . 18161 1 411 . 1 1 35 35 THR H H 1 10.129 0.020 . 1 . . . A 35 THR H . 18161 1 412 . 1 1 35 35 THR HA H 1 4.578 0.020 . 1 . . . A 35 THR HA . 18161 1 413 . 1 1 35 35 THR HB H 1 4.388 0.020 . 1 . . . A 35 THR HB . 18161 1 414 . 1 1 35 35 THR HG21 H 1 1.247 0.020 . 1 . . . A 35 THR HG21 . 18161 1 415 . 1 1 35 35 THR HG22 H 1 1.247 0.020 . 1 . . . A 35 THR HG22 . 18161 1 416 . 1 1 35 35 THR HG23 H 1 1.247 0.020 . 1 . . . A 35 THR HG23 . 18161 1 417 . 1 1 35 35 THR C C 13 173.373 0.400 . 1 . . . A 35 THR C . 18161 1 418 . 1 1 35 35 THR CA C 13 61.683 0.400 . 1 . . . A 35 THR CA . 18161 1 419 . 1 1 35 35 THR CB C 13 70.732 0.400 . 1 . . . A 35 THR CB . 18161 1 420 . 1 1 35 35 THR CG2 C 13 21.427 0.400 . 1 . . . A 35 THR CG2 . 18161 1 421 . 1 1 35 35 THR N N 15 116.630 0.400 . 1 . . . A 35 THR N . 18161 1 422 . 1 1 36 36 SER H H 1 7.632 0.020 . 1 . . . A 36 SER H . 18161 1 423 . 1 1 36 36 SER HA H 1 4.836 0.020 . 1 . . . A 36 SER HA . 18161 1 424 . 1 1 36 36 SER HB2 H 1 3.978 0.020 . 2 . . . A 36 SER HB2 . 18161 1 425 . 1 1 36 36 SER HB3 H 1 4.232 0.020 . 2 . . . A 36 SER HB3 . 18161 1 426 . 1 1 36 36 SER C C 13 174.458 0.400 . 1 . . . A 36 SER C . 18161 1 427 . 1 1 36 36 SER CA C 13 56.524 0.400 . 1 . . . A 36 SER CA . 18161 1 428 . 1 1 36 36 SER CB C 13 66.884 0.400 . 1 . . . A 36 SER CB . 18161 1 429 . 1 1 36 36 SER N N 15 113.402 0.400 . 1 . . . A 36 SER N . 18161 1 430 . 1 1 37 37 SER H H 1 8.898 0.020 . 1 . . . A 37 SER H . 18161 1 431 . 1 1 37 37 SER HA H 1 4.069 0.020 . 1 . . . A 37 SER HA . 18161 1 432 . 1 1 37 37 SER HB2 H 1 3.899 0.020 . 2 . . . A 37 SER HB2 . 18161 1 433 . 1 1 37 37 SER HB3 H 1 3.963 0.020 . 2 . . . A 37 SER HB3 . 18161 1 434 . 1 1 37 37 SER C C 13 176.403 0.400 . 1 . . . A 37 SER C . 18161 1 435 . 1 1 37 37 SER CA C 13 61.535 0.400 . 1 . . . A 37 SER CA . 18161 1 436 . 1 1 37 37 SER CB C 13 62.527 0.400 . 1 . . . A 37 SER CB . 18161 1 437 . 1 1 37 37 SER N N 15 116.371 0.400 . 1 . . . A 37 SER N . 18161 1 438 . 1 1 38 38 GLN H H 1 8.360 0.020 . 1 . . . A 38 GLN H . 18161 1 439 . 1 1 38 38 GLN HA H 1 3.878 0.020 . 1 . . . A 38 GLN HA . 18161 1 440 . 1 1 38 38 GLN HB2 H 1 2.138 0.020 . 2 . . . A 38 GLN HB2 . 18161 1 441 . 1 1 38 38 GLN HB3 H 1 1.937 0.020 . 2 . . . A 38 GLN HB3 . 18161 1 442 . 1 1 38 38 GLN HG2 H 1 2.395 0.020 . 2 . . . A 38 GLN HG2 . 18161 1 443 . 1 1 38 38 GLN HG3 H 1 2.436 0.020 . 2 . . . A 38 GLN HG3 . 18161 1 444 . 1 1 38 38 GLN HE21 H 1 6.949 0.020 . 2 . . . A 38 GLN HE21 . 18161 1 445 . 1 1 38 38 GLN HE22 H 1 7.820 0.020 . 2 . . . A 38 GLN HE22 . 18161 1 446 . 1 1 38 38 GLN C C 13 177.533 0.400 . 1 . . . A 38 GLN C . 18161 1 447 . 1 1 38 38 GLN CA C 13 58.904 0.400 . 1 . . . A 38 GLN CA . 18161 1 448 . 1 1 38 38 GLN CB C 13 27.762 0.400 . 1 . . . A 38 GLN CB . 18161 1 449 . 1 1 38 38 GLN CG C 13 33.720 0.400 . 1 . . . A 38 GLN CG . 18161 1 450 . 1 1 38 38 GLN N N 15 121.235 0.400 . 1 . . . A 38 GLN N . 18161 1 451 . 1 1 38 38 GLN NE2 N 15 115.177 0.400 . 1 . . . A 38 GLN NE2 . 18161 1 452 . 1 1 39 39 ASP H H 1 7.819 0.020 . 1 . . . A 39 ASP H . 18161 1 453 . 1 1 39 39 ASP HA H 1 4.388 0.020 . 1 . . . A 39 ASP HA . 18161 1 454 . 1 1 39 39 ASP HB2 H 1 2.955 0.020 . 2 . . . A 39 ASP HB2 . 18161 1 455 . 1 1 39 39 ASP HB3 H 1 2.825 0.020 . 2 . . . A 39 ASP HB3 . 18161 1 456 . 1 1 39 39 ASP C C 13 178.158 0.400 . 1 . . . A 39 ASP C . 18161 1 457 . 1 1 39 39 ASP CA C 13 57.465 0.400 . 1 . . . A 39 ASP CA . 18161 1 458 . 1 1 39 39 ASP CB C 13 41.077 0.400 . 1 . . . A 39 ASP CB . 18161 1 459 . 1 1 39 39 ASP N N 15 118.782 0.400 . 1 . . . A 39 ASP N . 18161 1 460 . 1 1 40 40 ILE H H 1 7.463 0.020 . 1 . . . A 40 ILE H . 18161 1 461 . 1 1 40 40 ILE HA H 1 3.554 0.020 . 1 . . . A 40 ILE HA . 18161 1 462 . 1 1 40 40 ILE HB H 1 2.204 0.020 . 1 . . . A 40 ILE HB . 18161 1 463 . 1 1 40 40 ILE HG12 H 1 1.230 0.020 . 2 . . . A 40 ILE HG12 . 18161 1 464 . 1 1 40 40 ILE HG13 H 1 1.605 0.020 . 2 . . . A 40 ILE HG13 . 18161 1 465 . 1 1 40 40 ILE HG21 H 1 0.833 0.020 . 1 . . . A 40 ILE HG21 . 18161 1 466 . 1 1 40 40 ILE HG22 H 1 0.833 0.020 . 1 . . . A 40 ILE HG22 . 18161 1 467 . 1 1 40 40 ILE HG23 H 1 0.833 0.020 . 1 . . . A 40 ILE HG23 . 18161 1 468 . 1 1 40 40 ILE HD11 H 1 0.628 0.020 . 1 . . . A 40 ILE HD11 . 18161 1 469 . 1 1 40 40 ILE HD12 H 1 0.628 0.020 . 1 . . . A 40 ILE HD12 . 18161 1 470 . 1 1 40 40 ILE HD13 H 1 0.628 0.020 . 1 . . . A 40 ILE HD13 . 18161 1 471 . 1 1 40 40 ILE C C 13 176.908 0.400 . 1 . . . A 40 ILE C . 18161 1 472 . 1 1 40 40 ILE CA C 13 64.315 0.400 . 1 . . . A 40 ILE CA . 18161 1 473 . 1 1 40 40 ILE CB C 13 36.541 0.400 . 1 . . . A 40 ILE CB . 18161 1 474 . 1 1 40 40 ILE CG1 C 13 28.723 0.400 . 1 . . . A 40 ILE CG1 . 18161 1 475 . 1 1 40 40 ILE CG2 C 13 17.499 0.400 . 1 . . . A 40 ILE CG2 . 18161 1 476 . 1 1 40 40 ILE CD1 C 13 11.418 0.400 . 1 . . . A 40 ILE CD1 . 18161 1 477 . 1 1 40 40 ILE N N 15 117.989 0.400 . 1 . . . A 40 ILE N . 18161 1 478 . 1 1 41 41 ARG H H 1 7.906 0.020 . 1 . . . A 41 ARG H . 18161 1 479 . 1 1 41 41 ARG HA H 1 3.852 0.020 . 1 . . . A 41 ARG HA . 18161 1 480 . 1 1 41 41 ARG HB2 H 1 1.909 0.020 . 1 . . . A 41 ARG HB2 . 18161 1 481 . 1 1 41 41 ARG HB3 H 1 1.909 0.020 . 1 . . . A 41 ARG HB3 . 18161 1 482 . 1 1 41 41 ARG HG2 H 1 1.576 0.020 . 2 . . . A 41 ARG HG2 . 18161 1 483 . 1 1 41 41 ARG HG3 H 1 1.799 0.020 . 2 . . . A 41 ARG HG3 . 18161 1 484 . 1 1 41 41 ARG HD2 H 1 3.084 0.020 . 2 . . . A 41 ARG HD2 . 18161 1 485 . 1 1 41 41 ARG HD3 H 1 3.221 0.020 . 2 . . . A 41 ARG HD3 . 18161 1 486 . 1 1 41 41 ARG C C 13 178.951 0.400 . 1 . . . A 41 ARG C . 18161 1 487 . 1 1 41 41 ARG CA C 13 60.212 0.400 . 1 . . . A 41 ARG CA . 18161 1 488 . 1 1 41 41 ARG CB C 13 29.311 0.400 . 1 . . . A 41 ARG CB . 18161 1 489 . 1 1 41 41 ARG CG C 13 28.088 0.400 . 1 . . . A 41 ARG CG . 18161 1 490 . 1 1 41 41 ARG CD C 13 43.342 0.400 . 1 . . . A 41 ARG CD . 18161 1 491 . 1 1 41 41 ARG N N 15 119.009 0.400 . 1 . . . A 41 ARG N . 18161 1 492 . 1 1 42 42 ASP H H 1 8.344 0.020 . 1 . . . A 42 ASP H . 18161 1 493 . 1 1 42 42 ASP HA H 1 4.394 0.020 . 1 . . . A 42 ASP HA . 18161 1 494 . 1 1 42 42 ASP HB2 H 1 2.898 0.020 . 2 . . . A 42 ASP HB2 . 18161 1 495 . 1 1 42 42 ASP HB3 H 1 2.733 0.020 . 2 . . . A 42 ASP HB3 . 18161 1 496 . 1 1 42 42 ASP C C 13 179.216 0.400 . 1 . . . A 42 ASP C . 18161 1 497 . 1 1 42 42 ASP CA C 13 57.542 0.400 . 1 . . . A 42 ASP CA . 18161 1 498 . 1 1 42 42 ASP CB C 13 40.597 0.400 . 1 . . . A 42 ASP CB . 18161 1 499 . 1 1 42 42 ASP N N 15 120.482 0.400 . 1 . . . A 42 ASP N . 18161 1 500 . 1 1 43 43 ILE H H 1 8.519 0.020 . 1 . . . A 43 ILE H . 18161 1 501 . 1 1 43 43 ILE HA H 1 3.524 0.020 . 1 . . . A 43 ILE HA . 18161 1 502 . 1 1 43 43 ILE HB H 1 1.982 0.020 . 1 . . . A 43 ILE HB . 18161 1 503 . 1 1 43 43 ILE HG12 H 1 1.987 0.020 . 2 . . . A 43 ILE HG12 . 18161 1 504 . 1 1 43 43 ILE HG13 H 1 0.757 0.020 . 2 . . . A 43 ILE HG13 . 18161 1 505 . 1 1 43 43 ILE HG21 H 1 0.795 0.020 . 1 . . . A 43 ILE HG21 . 18161 1 506 . 1 1 43 43 ILE HG22 H 1 0.795 0.020 . 1 . . . A 43 ILE HG22 . 18161 1 507 . 1 1 43 43 ILE HG23 H 1 0.795 0.020 . 1 . . . A 43 ILE HG23 . 18161 1 508 . 1 1 43 43 ILE HD11 H 1 0.705 0.020 . 1 . . . A 43 ILE HD11 . 18161 1 509 . 1 1 43 43 ILE HD12 H 1 0.705 0.020 . 1 . . . A 43 ILE HD12 . 18161 1 510 . 1 1 43 43 ILE HD13 H 1 0.705 0.020 . 1 . . . A 43 ILE HD13 . 18161 1 511 . 1 1 43 43 ILE C C 13 176.282 0.400 . 1 . . . A 43 ILE C . 18161 1 512 . 1 1 43 43 ILE CA C 13 65.488 0.400 . 1 . . . A 43 ILE CA . 18161 1 513 . 1 1 43 43 ILE CB C 13 38.049 0.400 . 1 . . . A 43 ILE CB . 18161 1 514 . 1 1 43 43 ILE CG1 C 13 30.018 0.400 . 1 . . . A 43 ILE CG1 . 18161 1 515 . 1 1 43 43 ILE CG2 C 13 17.726 0.400 . 1 . . . A 43 ILE CG2 . 18161 1 516 . 1 1 43 43 ILE CD1 C 13 14.706 0.400 . 1 . . . A 43 ILE CD1 . 18161 1 517 . 1 1 43 43 ILE N N 15 122.521 0.400 . 1 . . . A 43 ILE N . 18161 1 518 . 1 1 44 44 ILE H H 1 8.185 0.020 . 1 . . . A 44 ILE H . 18161 1 519 . 1 1 44 44 ILE HA H 1 3.554 0.020 . 1 . . . A 44 ILE HA . 18161 1 520 . 1 1 44 44 ILE HB H 1 1.998 0.020 . 1 . . . A 44 ILE HB . 18161 1 521 . 1 1 44 44 ILE HG12 H 1 1.470 0.020 . 2 . . . A 44 ILE HG12 . 18161 1 522 . 1 1 44 44 ILE HG13 H 1 1.108 0.020 . 2 . . . A 44 ILE HG13 . 18161 1 523 . 1 1 44 44 ILE HG21 H 1 0.789 0.020 . 1 . . . A 44 ILE HG21 . 18161 1 524 . 1 1 44 44 ILE HG22 H 1 0.789 0.020 . 1 . . . A 44 ILE HG22 . 18161 1 525 . 1 1 44 44 ILE HG23 H 1 0.789 0.020 . 1 . . . A 44 ILE HG23 . 18161 1 526 . 1 1 44 44 ILE HD11 H 1 0.383 0.020 . 1 . . . A 44 ILE HD11 . 18161 1 527 . 1 1 44 44 ILE HD12 H 1 0.383 0.020 . 1 . . . A 44 ILE HD12 . 18161 1 528 . 1 1 44 44 ILE HD13 H 1 0.383 0.020 . 1 . . . A 44 ILE HD13 . 18161 1 529 . 1 1 44 44 ILE C C 13 177.941 0.400 . 1 . . . A 44 ILE C . 18161 1 530 . 1 1 44 44 ILE CA C 13 64.518 0.400 . 1 . . . A 44 ILE CA . 18161 1 531 . 1 1 44 44 ILE CB C 13 36.409 0.400 . 1 . . . A 44 ILE CB . 18161 1 532 . 1 1 44 44 ILE CG1 C 13 28.781 0.400 . 1 . . . A 44 ILE CG1 . 18161 1 533 . 1 1 44 44 ILE CG2 C 13 17.550 0.400 . 1 . . . A 44 ILE CG2 . 18161 1 534 . 1 1 44 44 ILE CD1 C 13 11.655 0.400 . 1 . . . A 44 ILE CD1 . 18161 1 535 . 1 1 44 44 ILE N N 15 120.597 0.400 . 1 . . . A 44 ILE N . 18161 1 536 . 1 1 45 45 LYS H H 1 7.923 0.020 . 1 . . . A 45 LYS H . 18161 1 537 . 1 1 45 45 LYS HA H 1 3.960 0.020 . 1 . . . A 45 LYS HA . 18161 1 538 . 1 1 45 45 LYS HB2 H 1 1.935 0.020 . 2 . . . A 45 LYS HB2 . 18161 1 539 . 1 1 45 45 LYS HB3 H 1 1.937 0.020 . 2 . . . A 45 LYS HB3 . 18161 1 540 . 1 1 45 45 LYS HG2 H 1 1.451 0.020 . 2 . . . A 45 LYS HG2 . 18161 1 541 . 1 1 45 45 LYS HG3 H 1 1.543 0.020 . 2 . . . A 45 LYS HG3 . 18161 1 542 . 1 1 45 45 LYS HD2 H 1 1.696 0.020 . 2 . . . A 45 LYS HD2 . 18161 1 543 . 1 1 45 45 LYS HD3 H 1 1.700 0.020 . 2 . . . A 45 LYS HD3 . 18161 1 544 . 1 1 45 45 LYS HE2 H 1 2.981 0.020 . 1 . . . A 45 LYS HE2 . 18161 1 545 . 1 1 45 45 LYS HE3 H 1 2.981 0.020 . 1 . . . A 45 LYS HE3 . 18161 1 546 . 1 1 45 45 LYS C C 13 178.855 0.400 . 1 . . . A 45 LYS C . 18161 1 547 . 1 1 45 45 LYS CA C 13 59.597 0.400 . 1 . . . A 45 LYS CA . 18161 1 548 . 1 1 45 45 LYS CB C 13 32.085 0.400 . 1 . . . A 45 LYS CB . 18161 1 549 . 1 1 45 45 LYS CG C 13 24.910 0.400 . 1 . . . A 45 LYS CG . 18161 1 550 . 1 1 45 45 LYS CD C 13 29.405 0.400 . 1 . . . A 45 LYS CD . 18161 1 551 . 1 1 45 45 LYS CE C 13 42.190 0.400 . 1 . . . A 45 LYS CE . 18161 1 552 . 1 1 45 45 LYS N N 15 118.708 0.400 . 1 . . . A 45 LYS N . 18161 1 553 . 1 1 46 46 SER H H 1 7.921 0.020 . 1 . . . A 46 SER H . 18161 1 554 . 1 1 46 46 SER HA H 1 4.377 0.020 . 1 . . . A 46 SER HA . 18161 1 555 . 1 1 46 46 SER HB2 H 1 4.024 0.020 . 1 . . . A 46 SER HB2 . 18161 1 556 . 1 1 46 46 SER HB3 H 1 4.024 0.020 . 1 . . . A 46 SER HB3 . 18161 1 557 . 1 1 46 46 SER C C 13 175.729 0.400 . 1 . . . A 46 SER C . 18161 1 558 . 1 1 46 46 SER CA C 13 60.566 0.400 . 1 . . . A 46 SER CA . 18161 1 559 . 1 1 46 46 SER CB C 13 63.479 0.400 . 1 . . . A 46 SER CB . 18161 1 560 . 1 1 46 46 SER N N 15 113.741 0.400 . 1 . . . A 46 SER N . 18161 1 561 . 1 1 47 47 MET H H 1 7.855 0.020 . 1 . . . A 47 MET H . 18161 1 562 . 1 1 47 47 MET HA H 1 4.607 0.020 . 1 . . . A 47 MET HA . 18161 1 563 . 1 1 47 47 MET HB2 H 1 2.186 0.020 . 2 . . . A 47 MET HB2 . 18161 1 564 . 1 1 47 47 MET HB3 H 1 2.198 0.020 . 2 . . . A 47 MET HB3 . 18161 1 565 . 1 1 47 47 MET HG2 H 1 2.475 0.020 . 2 . . . A 47 MET HG2 . 18161 1 566 . 1 1 47 47 MET HG3 H 1 2.641 0.020 . 2 . . . A 47 MET HG3 . 18161 1 567 . 1 1 47 47 MET HE1 H 1 1.904 0.020 . 1 . . . A 47 MET HE1 . 18161 1 568 . 1 1 47 47 MET HE2 H 1 1.904 0.020 . 1 . . . A 47 MET HE2 . 18161 1 569 . 1 1 47 47 MET HE3 H 1 1.904 0.020 . 1 . . . A 47 MET HE3 . 18161 1 570 . 1 1 47 47 MET C C 13 177.557 0.400 . 1 . . . A 47 MET C . 18161 1 571 . 1 1 47 47 MET CA C 13 55.646 0.400 . 1 . . . A 47 MET CA . 18161 1 572 . 1 1 47 47 MET CB C 13 32.363 0.400 . 1 . . . A 47 MET CB . 18161 1 573 . 1 1 47 47 MET CG C 13 31.707 0.400 . 1 . . . A 47 MET CG . 18161 1 574 . 1 1 47 47 MET CE C 13 17.512 0.400 . 1 . . . A 47 MET CE . 18161 1 575 . 1 1 47 47 MET N N 15 119.745 0.400 . 1 . . . A 47 MET N . 18161 1 576 . 1 1 48 48 LYS H H 1 7.682 0.020 . 1 . . . A 48 LYS H . 18161 1 577 . 1 1 48 48 LYS HA H 1 4.077 0.020 . 1 . . . A 48 LYS HA . 18161 1 578 . 1 1 48 48 LYS HB2 H 1 1.841 0.020 . 2 . . . A 48 LYS HB2 . 18161 1 579 . 1 1 48 48 LYS HB3 H 1 1.888 0.020 . 2 . . . A 48 LYS HB3 . 18161 1 580 . 1 1 48 48 LYS HG2 H 1 1.617 0.020 . 2 . . . A 48 LYS HG2 . 18161 1 581 . 1 1 48 48 LYS HG3 H 1 1.441 0.020 . 2 . . . A 48 LYS HG3 . 18161 1 582 . 1 1 48 48 LYS HD2 H 1 1.704 0.020 . 1 . . . A 48 LYS HD2 . 18161 1 583 . 1 1 48 48 LYS HD3 H 1 1.704 0.020 . 1 . . . A 48 LYS HD3 . 18161 1 584 . 1 1 48 48 LYS HE2 H 1 3.031 0.020 . 1 . . . A 48 LYS HE2 . 18161 1 585 . 1 1 48 48 LYS HE3 H 1 3.031 0.020 . 1 . . . A 48 LYS HE3 . 18161 1 586 . 1 1 48 48 LYS C C 13 176.860 0.400 . 1 . . . A 48 LYS C . 18161 1 587 . 1 1 48 48 LYS CA C 13 58.000 0.400 . 1 . . . A 48 LYS CA . 18161 1 588 . 1 1 48 48 LYS CB C 13 32.278 0.400 . 1 . . . A 48 LYS CB . 18161 1 589 . 1 1 48 48 LYS CG C 13 24.280 0.400 . 1 . . . A 48 LYS CG . 18161 1 590 . 1 1 48 48 LYS CD C 13 29.189 0.400 . 1 . . . A 48 LYS CD . 18161 1 591 . 1 1 48 48 LYS CE C 13 41.780 0.400 . 1 . . . A 48 LYS CE . 18161 1 592 . 1 1 48 48 LYS N N 15 120.595 0.400 . 1 . . . A 48 LYS N . 18161 1 593 . 1 1 49 49 ASP H H 1 8.314 0.020 . 1 . . . A 49 ASP H . 18161 1 594 . 1 1 49 49 ASP HA H 1 4.593 0.020 . 1 . . . A 49 ASP HA . 18161 1 595 . 1 1 49 49 ASP HB2 H 1 2.804 0.020 . 2 . . . A 49 ASP HB2 . 18161 1 596 . 1 1 49 49 ASP HB3 H 1 2.685 0.020 . 2 . . . A 49 ASP HB3 . 18161 1 597 . 1 1 49 49 ASP C C 13 175.417 0.400 . 1 . . . A 49 ASP C . 18161 1 598 . 1 1 49 49 ASP CA C 13 55.131 0.400 . 1 . . . A 49 ASP CA . 18161 1 599 . 1 1 49 49 ASP CB C 13 40.784 0.400 . 1 . . . A 49 ASP CB . 18161 1 600 . 1 1 49 49 ASP N N 15 118.386 0.400 . 1 . . . A 49 ASP N . 18161 1 601 . 1 1 50 50 ASN H H 1 7.794 0.020 . 1 . . . A 50 ASN H . 18161 1 602 . 1 1 50 50 ASN HA H 1 4.724 0.020 . 1 . . . A 50 ASN HA . 18161 1 603 . 1 1 50 50 ASN HB2 H 1 2.951 0.020 . 2 . . . A 50 ASN HB2 . 18161 1 604 . 1 1 50 50 ASN HB3 H 1 2.896 0.020 . 2 . . . A 50 ASN HB3 . 18161 1 605 . 1 1 50 50 ASN HD21 H 1 7.534 0.020 . 2 . . . A 50 ASN HD21 . 18161 1 606 . 1 1 50 50 ASN HD22 H 1 7.073 0.020 . 2 . . . A 50 ASN HD22 . 18161 1 607 . 1 1 50 50 ASN CA C 13 53.047 0.400 . 1 . . . A 50 ASN CA . 18161 1 608 . 1 1 50 50 ASN CB C 13 39.933 0.400 . 1 . . . A 50 ASN CB . 18161 1 609 . 1 1 50 50 ASN N N 15 115.136 0.400 . 1 . . . A 50 ASN N . 18161 1 610 . 1 1 50 50 ASN ND2 N 15 114.245 0.400 . 1 . . . A 50 ASN ND2 . 18161 1 611 . 1 1 51 51 GLY HA2 H 1 3.846 0.020 . 2 . . . A 51 GLY HA2 . 18161 1 612 . 1 1 51 51 GLY HA3 H 1 4.209 0.020 . 2 . . . A 51 GLY HA3 . 18161 1 613 . 1 1 51 51 GLY C C 13 174.359 0.400 . 1 . . . A 51 GLY C . 18161 1 614 . 1 1 51 51 GLY CA C 13 45.950 0.400 . 1 . . . A 51 GLY CA . 18161 1 615 . 1 1 52 52 LYS H H 1 8.035 0.020 . 1 . . . A 52 LYS H . 18161 1 616 . 1 1 52 52 LYS HA H 1 4.561 0.020 . 1 . . . A 52 LYS HA . 18161 1 617 . 1 1 52 52 LYS HB2 H 1 1.830 0.020 . 2 . . . A 52 LYS HB2 . 18161 1 618 . 1 1 52 52 LYS HB3 H 1 1.780 0.020 . 2 . . . A 52 LYS HB3 . 18161 1 619 . 1 1 52 52 LYS HG2 H 1 1.513 0.020 . 1 . . . A 52 LYS HG2 . 18161 1 620 . 1 1 52 52 LYS HG3 H 1 1.512 0.020 . 1 . . . A 52 LYS HG3 . 18161 1 621 . 1 1 52 52 LYS HD2 H 1 1.723 0.020 . 1 . . . A 52 LYS HD2 . 18161 1 622 . 1 1 52 52 LYS HD3 H 1 1.723 0.020 . 1 . . . A 52 LYS HD3 . 18161 1 623 . 1 1 52 52 LYS HE2 H 1 2.991 0.020 . 2 . . . A 52 LYS HE2 . 18161 1 624 . 1 1 52 52 LYS HE3 H 1 2.993 0.020 . 2 . . . A 52 LYS HE3 . 18161 1 625 . 1 1 52 52 LYS CA C 13 54.153 0.400 . 1 . . . A 52 LYS CA . 18161 1 626 . 1 1 52 52 LYS CB C 13 32.278 0.400 . 1 . . . A 52 LYS CB . 18161 1 627 . 1 1 52 52 LYS CG C 13 24.910 0.400 . 1 . . . A 52 LYS CG . 18161 1 628 . 1 1 52 52 LYS CD C 13 28.780 0.400 . 1 . . . A 52 LYS CD . 18161 1 629 . 1 1 52 52 LYS CE C 13 42.363 0.400 . 1 . . . A 52 LYS CE . 18161 1 630 . 1 1 52 52 LYS N N 15 122.683 0.400 . 1 . . . A 52 LYS N . 18161 1 631 . 1 1 53 53 PRO HA H 1 5.083 0.020 . 1 . . . A 53 PRO HA . 18161 1 632 . 1 1 53 53 PRO HB2 H 1 1.663 0.020 . 2 . . . A 53 PRO HB2 . 18161 1 633 . 1 1 53 53 PRO HB3 H 1 1.996 0.020 . 2 . . . A 53 PRO HB3 . 18161 1 634 . 1 1 53 53 PRO HG2 H 1 1.755 0.020 . 2 . . . A 53 PRO HG2 . 18161 1 635 . 1 1 53 53 PRO HG3 H 1 1.791 0.020 . 2 . . . A 53 PRO HG3 . 18161 1 636 . 1 1 53 53 PRO HD2 H 1 3.794 0.020 . 2 . . . A 53 PRO HD2 . 18161 1 637 . 1 1 53 53 PRO HD3 H 1 3.596 0.020 . 2 . . . A 53 PRO HD3 . 18161 1 638 . 1 1 53 53 PRO C C 13 175.345 0.400 . 1 . . . A 53 PRO C . 18161 1 639 . 1 1 53 53 PRO CA C 13 62.405 0.400 . 1 . . . A 53 PRO CA . 18161 1 640 . 1 1 53 53 PRO CB C 13 33.069 0.400 . 1 . . . A 53 PRO CB . 18161 1 641 . 1 1 53 53 PRO CG C 13 27.140 0.400 . 1 . . . A 53 PRO CG . 18161 1 642 . 1 1 53 53 PRO CD C 13 50.101 0.400 . 1 . . . A 53 PRO CD . 18161 1 643 . 1 1 54 54 LEU H H 1 8.138 0.020 . 1 . . . A 54 LEU H . 18161 1 644 . 1 1 54 54 LEU HA H 1 4.970 0.020 . 1 . . . A 54 LEU HA . 18161 1 645 . 1 1 54 54 LEU HB2 H 1 1.563 0.020 . 1 . . . A 54 LEU HB2 . 18161 1 646 . 1 1 54 54 LEU HB3 H 1 1.564 0.020 . 1 . . . A 54 LEU HB3 . 18161 1 647 . 1 1 54 54 LEU HG H 1 1.490 0.020 . 1 . . . A 54 LEU HG . 18161 1 648 . 1 1 54 54 LEU HD11 H 1 0.816 0.020 . 2 . . . A 54 LEU HD11 . 18161 1 649 . 1 1 54 54 LEU HD12 H 1 0.816 0.020 . 2 . . . A 54 LEU HD12 . 18161 1 650 . 1 1 54 54 LEU HD13 H 1 0.816 0.020 . 2 . . . A 54 LEU HD13 . 18161 1 651 . 1 1 54 54 LEU HD21 H 1 0.788 0.020 . 2 . . . A 54 LEU HD21 . 18161 1 652 . 1 1 54 54 LEU HD22 H 1 0.788 0.020 . 2 . . . A 54 LEU HD22 . 18161 1 653 . 1 1 54 54 LEU HD23 H 1 0.788 0.020 . 2 . . . A 54 LEU HD23 . 18161 1 654 . 1 1 54 54 LEU C C 13 174.383 0.400 . 1 . . . A 54 LEU C . 18161 1 655 . 1 1 54 54 LEU CA C 13 54.011 0.400 . 1 . . . A 54 LEU CA . 18161 1 656 . 1 1 54 54 LEU CB C 13 47.981 0.400 . 1 . . . A 54 LEU CB . 18161 1 657 . 1 1 54 54 LEU CG C 13 26.770 0.400 . 1 . . . A 54 LEU CG . 18161 1 658 . 1 1 54 54 LEU CD1 C 13 24.425 0.400 . 1 . . . A 54 LEU CD1 . 18161 1 659 . 1 1 54 54 LEU CD2 C 13 26.524 0.400 . 1 . . . A 54 LEU CD2 . 18161 1 660 . 1 1 54 54 LEU N N 15 118.103 0.400 . 1 . . . A 54 LEU N . 18161 1 661 . 1 1 55 55 VAL H H 1 8.877 0.020 . 1 . . . A 55 VAL H . 18161 1 662 . 1 1 55 55 VAL HA H 1 4.407 0.020 . 1 . . . A 55 VAL HA . 18161 1 663 . 1 1 55 55 VAL HB H 1 2.077 0.020 . 1 . . . A 55 VAL HB . 18161 1 664 . 1 1 55 55 VAL HG11 H 1 0.385 0.020 . 2 . . . A 55 VAL HG11 . 18161 1 665 . 1 1 55 55 VAL HG12 H 1 0.385 0.020 . 2 . . . A 55 VAL HG12 . 18161 1 666 . 1 1 55 55 VAL HG13 H 1 0.385 0.020 . 2 . . . A 55 VAL HG13 . 18161 1 667 . 1 1 55 55 VAL HG21 H 1 0.917 0.020 . 2 . . . A 55 VAL HG21 . 18161 1 668 . 1 1 55 55 VAL HG22 H 1 0.917 0.020 . 2 . . . A 55 VAL HG22 . 18161 1 669 . 1 1 55 55 VAL HG23 H 1 0.917 0.020 . 2 . . . A 55 VAL HG23 . 18161 1 670 . 1 1 55 55 VAL C C 13 173.469 0.400 . 1 . . . A 55 VAL C . 18161 1 671 . 1 1 55 55 VAL CA C 13 61.163 0.400 . 1 . . . A 55 VAL CA . 18161 1 672 . 1 1 55 55 VAL CB C 13 32.868 0.400 . 1 . . . A 55 VAL CB . 18161 1 673 . 1 1 55 55 VAL CG1 C 13 22.276 0.400 . 1 . . . A 55 VAL CG1 . 18161 1 674 . 1 1 55 55 VAL CG2 C 13 22.409 0.400 . 1 . . . A 55 VAL CG2 . 18161 1 675 . 1 1 55 55 VAL N N 15 124.786 0.400 . 1 . . . A 55 VAL N . 18161 1 676 . 1 1 56 56 VAL H H 1 8.912 0.020 . 1 . . . A 56 VAL H . 18161 1 677 . 1 1 56 56 VAL HA H 1 4.705 0.020 . 1 . . . A 56 VAL HA . 18161 1 678 . 1 1 56 56 VAL HB H 1 1.597 0.020 . 1 . . . A 56 VAL HB . 18161 1 679 . 1 1 56 56 VAL HG11 H 1 0.444 0.020 . 2 . . . A 56 VAL HG11 . 18161 1 680 . 1 1 56 56 VAL HG12 H 1 0.444 0.020 . 2 . . . A 56 VAL HG12 . 18161 1 681 . 1 1 56 56 VAL HG13 H 1 0.444 0.020 . 2 . . . A 56 VAL HG13 . 18161 1 682 . 1 1 56 56 VAL HG21 H 1 0.660 0.020 . 2 . . . A 56 VAL HG21 . 18161 1 683 . 1 1 56 56 VAL HG22 H 1 0.660 0.020 . 2 . . . A 56 VAL HG22 . 18161 1 684 . 1 1 56 56 VAL HG23 H 1 0.660 0.020 . 2 . . . A 56 VAL HG23 . 18161 1 685 . 1 1 56 56 VAL C C 13 174.143 0.400 . 1 . . . A 56 VAL C . 18161 1 686 . 1 1 56 56 VAL CA C 13 59.298 0.400 . 1 . . . A 56 VAL CA . 18161 1 687 . 1 1 56 56 VAL CB C 13 33.676 0.400 . 1 . . . A 56 VAL CB . 18161 1 688 . 1 1 56 56 VAL CG1 C 13 21.758 0.400 . 1 . . . A 56 VAL CG1 . 18161 1 689 . 1 1 56 56 VAL CG2 C 13 22.448 0.400 . 1 . . . A 56 VAL CG2 . 18161 1 690 . 1 1 56 56 VAL N N 15 126.202 0.400 . 1 . . . A 56 VAL N . 18161 1 691 . 1 1 57 57 PHE H H 1 8.909 0.020 . 1 . . . A 57 PHE H . 18161 1 692 . 1 1 57 57 PHE HA H 1 4.838 0.020 . 1 . . . A 57 PHE HA . 18161 1 693 . 1 1 57 57 PHE HB2 H 1 2.776 0.020 . 2 . . . A 57 PHE HB2 . 18161 1 694 . 1 1 57 57 PHE HB3 H 1 3.003 0.020 . 2 . . . A 57 PHE HB3 . 18161 1 695 . 1 1 57 57 PHE HD1 H 1 7.176 0.020 . 1 . . . A 57 PHE HD1 . 18161 1 696 . 1 1 57 57 PHE HD2 H 1 7.176 0.020 . 1 . . . A 57 PHE HD2 . 18161 1 697 . 1 1 57 57 PHE HE1 H 1 7.061 0.020 . 1 . . . A 57 PHE HE1 . 18161 1 698 . 1 1 57 57 PHE HE2 H 1 7.061 0.020 . 1 . . . A 57 PHE HE2 . 18161 1 699 . 1 1 57 57 PHE HZ H 1 6.910 0.020 . 1 . . . A 57 PHE HZ . 18161 1 700 . 1 1 57 57 PHE C C 13 175.225 0.400 . 1 . . . A 57 PHE C . 18161 1 701 . 1 1 57 57 PHE CA C 13 57.230 0.400 . 1 . . . A 57 PHE CA . 18161 1 702 . 1 1 57 57 PHE CB C 13 39.979 0.400 . 1 . . . A 57 PHE CB . 18161 1 703 . 1 1 57 57 PHE CD1 C 13 132.428 0.400 . 1 . . . A 57 PHE CD1 . 18161 1 704 . 1 1 57 57 PHE CD2 C 13 132.109 0.400 . 1 . . . A 57 PHE CD2 . 18161 1 705 . 1 1 57 57 PHE CE1 C 13 130.600 0.400 . 1 . . . A 57 PHE CE1 . 18161 1 706 . 1 1 57 57 PHE CE2 C 13 130.136 0.400 . 1 . . . A 57 PHE CE2 . 18161 1 707 . 1 1 57 57 PHE CZ C 13 127.900 0.400 . 1 . . . A 57 PHE CZ . 18161 1 708 . 1 1 57 57 PHE N N 15 125.409 0.400 . 1 . . . A 57 PHE N . 18161 1 709 . 1 1 58 58 VAL H H 1 8.847 0.020 . 1 . . . A 58 VAL H . 18161 1 710 . 1 1 58 58 VAL HA H 1 4.234 0.020 . 1 . . . A 58 VAL HA . 18161 1 711 . 1 1 58 58 VAL HB H 1 2.118 0.020 . 1 . . . A 58 VAL HB . 18161 1 712 . 1 1 58 58 VAL HG11 H 1 0.826 0.020 . 2 . . . A 58 VAL HG11 . 18161 1 713 . 1 1 58 58 VAL HG12 H 1 0.826 0.020 . 2 . . . A 58 VAL HG12 . 18161 1 714 . 1 1 58 58 VAL HG13 H 1 0.826 0.020 . 2 . . . A 58 VAL HG13 . 18161 1 715 . 1 1 58 58 VAL HG21 H 1 0.667 0.020 . 2 . . . A 58 VAL HG21 . 18161 1 716 . 1 1 58 58 VAL HG22 H 1 0.667 0.020 . 2 . . . A 58 VAL HG22 . 18161 1 717 . 1 1 58 58 VAL HG23 H 1 0.667 0.020 . 2 . . . A 58 VAL HG23 . 18161 1 718 . 1 1 58 58 VAL C C 13 174.046 0.400 . 1 . . . A 58 VAL C . 18161 1 719 . 1 1 58 58 VAL CA C 13 62.284 0.400 . 1 . . . A 58 VAL CA . 18161 1 720 . 1 1 58 58 VAL CB C 13 32.350 0.400 . 1 . . . A 58 VAL CB . 18161 1 721 . 1 1 58 58 VAL CG1 C 13 22.045 0.400 . 1 . . . A 58 VAL CG1 . 18161 1 722 . 1 1 58 58 VAL CG2 C 13 22.160 0.400 . 1 . . . A 58 VAL CG2 . 18161 1 723 . 1 1 58 58 VAL N N 15 124.333 0.400 . 1 . . . A 58 VAL N . 18161 1 724 . 1 1 59 59 ASN H H 1 8.551 0.020 . 1 . . . A 59 ASN H . 18161 1 725 . 1 1 59 59 ASN HA H 1 4.916 0.020 . 1 . . . A 59 ASN HA . 18161 1 726 . 1 1 59 59 ASN HB2 H 1 2.866 0.020 . 2 . . . A 59 ASN HB2 . 18161 1 727 . 1 1 59 59 ASN HB3 H 1 2.489 0.020 . 2 . . . A 59 ASN HB3 . 18161 1 728 . 1 1 59 59 ASN HD21 H 1 6.749 0.020 . 2 . . . A 59 ASN HD21 . 18161 1 729 . 1 1 59 59 ASN HD22 H 1 7.493 0.020 . 2 . . . A 59 ASN HD22 . 18161 1 730 . 1 1 59 59 ASN C C 13 174.816 0.400 . 1 . . . A 59 ASN C . 18161 1 731 . 1 1 59 59 ASN CA C 13 52.167 0.400 . 1 . . . A 59 ASN CA . 18161 1 732 . 1 1 59 59 ASN CB C 13 38.342 0.400 . 1 . . . A 59 ASN CB . 18161 1 733 . 1 1 59 59 ASN N N 15 125.862 0.400 . 1 . . . A 59 ASN N . 18161 1 734 . 1 1 59 59 ASN ND2 N 15 109.425 0.400 . 1 . . . A 59 ASN ND2 . 18161 1 735 . 1 1 60 60 GLY H H 1 8.624 0.020 . 1 . . . A 60 GLY H . 18161 1 736 . 1 1 60 60 GLY HA2 H 1 3.671 0.020 . 2 . . . A 60 GLY HA2 . 18161 1 737 . 1 1 60 60 GLY HA3 H 1 4.208 0.020 . 2 . . . A 60 GLY HA3 . 18161 1 738 . 1 1 60 60 GLY C C 13 174.070 0.400 . 1 . . . A 60 GLY C . 18161 1 739 . 1 1 60 60 GLY CA C 13 45.539 0.400 . 1 . . . A 60 GLY CA . 18161 1 740 . 1 1 60 60 GLY N N 15 111.646 0.400 . 1 . . . A 60 GLY N . 18161 1 741 . 1 1 61 61 ALA H H 1 7.241 0.020 . 1 . . . A 61 ALA H . 18161 1 742 . 1 1 61 61 ALA HA H 1 4.281 0.020 . 1 . . . A 61 ALA HA . 18161 1 743 . 1 1 61 61 ALA HB1 H 1 1.229 0.020 . 1 . . . A 61 ALA HB1 . 18161 1 744 . 1 1 61 61 ALA HB2 H 1 1.229 0.020 . 1 . . . A 61 ALA HB2 . 18161 1 745 . 1 1 61 61 ALA HB3 H 1 1.229 0.020 . 1 . . . A 61 ALA HB3 . 18161 1 746 . 1 1 61 61 ALA C C 13 176.772 0.400 . 1 . . . A 61 ALA C . 18161 1 747 . 1 1 61 61 ALA CA C 13 52.307 0.400 . 1 . . . A 61 ALA CA . 18161 1 748 . 1 1 61 61 ALA CB C 13 18.467 0.400 . 1 . . . A 61 ALA CB . 18161 1 749 . 1 1 61 61 ALA N N 15 121.558 0.400 . 1 . . . A 61 ALA N . 18161 1 750 . 1 1 62 62 SER H H 1 8.926 0.020 . 1 . . . A 62 SER H . 18161 1 751 . 1 1 62 62 SER HA H 1 4.559 0.020 . 1 . . . A 62 SER HA . 18161 1 752 . 1 1 62 62 SER HB2 H 1 4.042 0.020 . 2 . . . A 62 SER HB2 . 18161 1 753 . 1 1 62 62 SER HB3 H 1 4.221 0.020 . 2 . . . A 62 SER HB3 . 18161 1 754 . 1 1 62 62 SER CA C 13 56.879 0.400 . 1 . . . A 62 SER CA . 18161 1 755 . 1 1 62 62 SER CB C 13 65.213 0.400 . 1 . . . A 62 SER CB . 18161 1 756 . 1 1 62 62 SER N N 15 117.883 0.400 . 1 . . . A 62 SER N . 18161 1 757 . 1 1 63 63 GLN HA H 1 3.939 0.020 . 1 . . . A 63 GLN HA . 18161 1 758 . 1 1 63 63 GLN HB2 H 1 2.037 0.020 . 2 . . . A 63 GLN HB2 . 18161 1 759 . 1 1 63 63 GLN HB3 H 1 2.125 0.020 . 2 . . . A 63 GLN HB3 . 18161 1 760 . 1 1 63 63 GLN HG2 H 1 2.406 0.020 . 2 . . . A 63 GLN HG2 . 18161 1 761 . 1 1 63 63 GLN HG3 H 1 2.404 0.020 . 2 . . . A 63 GLN HG3 . 18161 1 762 . 1 1 63 63 GLN HE21 H 1 7.517 0.020 . 2 . . . A 63 GLN HE21 . 18161 1 763 . 1 1 63 63 GLN HE22 H 1 6.828 0.020 . 2 . . . A 63 GLN HE22 . 18161 1 764 . 1 1 63 63 GLN CA C 13 58.673 0.400 . 1 . . . A 63 GLN CA . 18161 1 765 . 1 1 63 63 GLN CB C 13 28.029 0.400 . 1 . . . A 63 GLN CB . 18161 1 766 . 1 1 63 63 GLN CG C 13 33.720 0.400 . 1 . . . A 63 GLN CG . 18161 1 767 . 1 1 63 63 GLN NE2 N 15 113.117 0.400 . 1 . . . A 63 GLN NE2 . 18161 1 768 . 1 1 64 64 ASN HA H 1 4.485 0.020 . 1 . . . A 64 ASN HA . 18161 1 769 . 1 1 64 64 ASN HB2 H 1 2.791 0.020 . 2 . . . A 64 ASN HB2 . 18161 1 770 . 1 1 64 64 ASN HB3 H 1 2.689 0.020 . 2 . . . A 64 ASN HB3 . 18161 1 771 . 1 1 64 64 ASN HD21 H 1 7.747 0.020 . 2 . . . A 64 ASN HD21 . 18161 1 772 . 1 1 64 64 ASN HD22 H 1 7.038 0.020 . 2 . . . A 64 ASN HD22 . 18161 1 773 . 1 1 64 64 ASN C C 13 177.028 0.400 . 1 . . . A 64 ASN C . 18161 1 774 . 1 1 64 64 ASN CA C 13 56.169 0.400 . 1 . . . A 64 ASN CA . 18161 1 775 . 1 1 64 64 ASN CB C 13 38.226 0.400 . 1 . . . A 64 ASN CB . 18161 1 776 . 1 1 64 64 ASN ND2 N 15 113.783 0.400 . 1 . . . A 64 ASN ND2 . 18161 1 777 . 1 1 65 65 ASP H H 1 7.817 0.020 . 1 . . . A 65 ASP H . 18161 1 778 . 1 1 65 65 ASP HA H 1 4.360 0.020 . 1 . . . A 65 ASP HA . 18161 1 779 . 1 1 65 65 ASP HB2 H 1 2.957 0.020 . 2 . . . A 65 ASP HB2 . 18161 1 780 . 1 1 65 65 ASP HB3 H 1 2.426 0.020 . 2 . . . A 65 ASP HB3 . 18161 1 781 . 1 1 65 65 ASP C C 13 177.773 0.400 . 1 . . . A 65 ASP C . 18161 1 782 . 1 1 65 65 ASP CA C 13 57.536 0.400 . 1 . . . A 65 ASP CA . 18161 1 783 . 1 1 65 65 ASP CB C 13 40.276 0.400 . 1 . . . A 65 ASP CB . 18161 1 784 . 1 1 65 65 ASP N N 15 121.501 0.400 . 1 . . . A 65 ASP N . 18161 1 785 . 1 1 66 66 VAL H H 1 7.815 0.020 . 1 . . . A 66 VAL H . 18161 1 786 . 1 1 66 66 VAL HA H 1 3.356 0.020 . 1 . . . A 66 VAL HA . 18161 1 787 . 1 1 66 66 VAL HB H 1 2.113 0.020 . 1 . . . A 66 VAL HB . 18161 1 788 . 1 1 66 66 VAL HG11 H 1 0.840 0.020 . 2 . . . A 66 VAL HG11 . 18161 1 789 . 1 1 66 66 VAL HG12 H 1 0.840 0.020 . 2 . . . A 66 VAL HG12 . 18161 1 790 . 1 1 66 66 VAL HG13 H 1 0.840 0.020 . 2 . . . A 66 VAL HG13 . 18161 1 791 . 1 1 66 66 VAL HG21 H 1 0.872 0.020 . 2 . . . A 66 VAL HG21 . 18161 1 792 . 1 1 66 66 VAL HG22 H 1 0.872 0.020 . 2 . . . A 66 VAL HG22 . 18161 1 793 . 1 1 66 66 VAL HG23 H 1 0.872 0.020 . 2 . . . A 66 VAL HG23 . 18161 1 794 . 1 1 66 66 VAL C C 13 177.749 0.400 . 1 . . . A 66 VAL C . 18161 1 795 . 1 1 66 66 VAL CA C 13 66.871 0.400 . 1 . . . A 66 VAL CA . 18161 1 796 . 1 1 66 66 VAL CB C 13 31.330 0.400 . 1 . . . A 66 VAL CB . 18161 1 797 . 1 1 66 66 VAL CG1 C 13 21.575 0.400 . 1 . . . A 66 VAL CG1 . 18161 1 798 . 1 1 66 66 VAL CG2 C 13 22.956 0.400 . 1 . . . A 66 VAL CG2 . 18161 1 799 . 1 1 66 66 VAL N N 15 120.142 0.400 . 1 . . . A 66 VAL N . 18161 1 800 . 1 1 67 67 ASN H H 1 8.359 0.020 . 1 . . . A 67 ASN H . 18161 1 801 . 1 1 67 67 ASN HA H 1 4.419 0.020 . 1 . . . A 67 ASN HA . 18161 1 802 . 1 1 67 67 ASN HB2 H 1 2.945 0.020 . 2 . . . A 67 ASN HB2 . 18161 1 803 . 1 1 67 67 ASN HB3 H 1 2.831 0.020 . 2 . . . A 67 ASN HB3 . 18161 1 804 . 1 1 67 67 ASN HD21 H 1 7.725 0.020 . 2 . . . A 67 ASN HD21 . 18161 1 805 . 1 1 67 67 ASN HD22 H 1 6.992 0.020 . 2 . . . A 67 ASN HD22 . 18161 1 806 . 1 1 67 67 ASN C C 13 177.413 0.400 . 1 . . . A 67 ASN C . 18161 1 807 . 1 1 67 67 ASN CA C 13 56.299 0.400 . 1 . . . A 67 ASN CA . 18161 1 808 . 1 1 67 67 ASN CB C 13 37.746 0.400 . 1 . . . A 67 ASN CB . 18161 1 809 . 1 1 67 67 ASN N N 15 119.575 0.400 . 1 . . . A 67 ASN N . 18161 1 810 . 1 1 67 67 ASN ND2 N 15 111.834 0.400 . 1 . . . A 67 ASN ND2 . 18161 1 811 . 1 1 68 68 GLU H H 1 8.348 0.020 . 1 . . . A 68 GLU H . 18161 1 812 . 1 1 68 68 GLU HA H 1 4.134 0.020 . 1 . . . A 68 GLU HA . 18161 1 813 . 1 1 68 68 GLU HB2 H 1 2.132 0.020 . 2 . . . A 68 GLU HB2 . 18161 1 814 . 1 1 68 68 GLU HB3 H 1 2.193 0.020 . 2 . . . A 68 GLU HB3 . 18161 1 815 . 1 1 68 68 GLU HG2 H 1 2.365 0.020 . 2 . . . A 68 GLU HG2 . 18161 1 816 . 1 1 68 68 GLU HG3 H 1 2.211 0.020 . 2 . . . A 68 GLU HG3 . 18161 1 817 . 1 1 68 68 GLU C C 13 178.519 0.400 . 1 . . . A 68 GLU C . 18161 1 818 . 1 1 68 68 GLU CA C 13 59.631 0.400 . 1 . . . A 68 GLU CA . 18161 1 819 . 1 1 68 68 GLU CB C 13 28.972 0.400 . 1 . . . A 68 GLU CB . 18161 1 820 . 1 1 68 68 GLU CG C 13 36.010 0.400 . 1 . . . A 68 GLU CG . 18161 1 821 . 1 1 68 68 GLU N N 15 121.218 0.400 . 1 . . . A 68 GLU N . 18161 1 822 . 1 1 69 69 PHE H H 1 8.206 0.020 . 1 . . . A 69 PHE H . 18161 1 823 . 1 1 69 69 PHE HA H 1 3.764 0.020 . 1 . . . A 69 PHE HA . 18161 1 824 . 1 1 69 69 PHE HB2 H 1 3.247 0.020 . 2 . . . A 69 PHE HB2 . 18161 1 825 . 1 1 69 69 PHE HB3 H 1 2.970 0.020 . 2 . . . A 69 PHE HB3 . 18161 1 826 . 1 1 69 69 PHE HD1 H 1 6.729 0.020 . 1 . . . A 69 PHE HD1 . 18161 1 827 . 1 1 69 69 PHE HD2 H 1 6.729 0.020 . 1 . . . A 69 PHE HD2 . 18161 1 828 . 1 1 69 69 PHE HE1 H 1 6.636 0.020 . 1 . . . A 69 PHE HE1 . 18161 1 829 . 1 1 69 69 PHE HE2 H 1 6.636 0.020 . 1 . . . A 69 PHE HE2 . 18161 1 830 . 1 1 69 69 PHE HZ H 1 6.767 0.020 . 1 . . . A 69 PHE HZ . 18161 1 831 . 1 1 69 69 PHE C C 13 175.946 0.400 . 1 . . . A 69 PHE C . 18161 1 832 . 1 1 69 69 PHE CA C 13 61.755 0.400 . 1 . . . A 69 PHE CA . 18161 1 833 . 1 1 69 69 PHE CB C 13 38.206 0.400 . 1 . . . A 69 PHE CB . 18161 1 834 . 1 1 69 69 PHE CD1 C 13 131.233 0.400 . 1 . . . A 69 PHE CD1 . 18161 1 835 . 1 1 69 69 PHE CD2 C 13 131.709 0.400 . 1 . . . A 69 PHE CD2 . 18161 1 836 . 1 1 69 69 PHE CE1 C 13 130.157 0.400 . 1 . . . A 69 PHE CE1 . 18161 1 837 . 1 1 69 69 PHE CE2 C 13 130.600 0.400 . 1 . . . A 69 PHE CE2 . 18161 1 838 . 1 1 69 69 PHE CZ C 13 128.528 0.400 . 1 . . . A 69 PHE CZ . 18161 1 839 . 1 1 69 69 PHE N N 15 119.235 0.400 . 1 . . . A 69 PHE N . 18161 1 840 . 1 1 70 70 GLN H H 1 8.045 0.020 . 1 . . . A 70 GLN H . 18161 1 841 . 1 1 70 70 GLN HA H 1 3.292 0.020 . 1 . . . A 70 GLN HA . 18161 1 842 . 1 1 70 70 GLN HB2 H 1 2.124 0.020 . 2 . . . A 70 GLN HB2 . 18161 1 843 . 1 1 70 70 GLN HB3 H 1 2.192 0.020 . 2 . . . A 70 GLN HB3 . 18161 1 844 . 1 1 70 70 GLN HG2 H 1 1.903 0.020 . 2 . . . A 70 GLN HG2 . 18161 1 845 . 1 1 70 70 GLN HG3 H 1 2.631 0.020 . 2 . . . A 70 GLN HG3 . 18161 1 846 . 1 1 70 70 GLN HE21 H 1 7.070 0.020 . 2 . . . A 70 GLN HE21 . 18161 1 847 . 1 1 70 70 GLN HE22 H 1 6.670 0.020 . 2 . . . A 70 GLN HE22 . 18161 1 848 . 1 1 70 70 GLN C C 13 177.941 0.400 . 1 . . . A 70 GLN C . 18161 1 849 . 1 1 70 70 GLN CA C 13 59.438 0.400 . 1 . . . A 70 GLN CA . 18161 1 850 . 1 1 70 70 GLN CB C 13 28.909 0.400 . 1 . . . A 70 GLN CB . 18161 1 851 . 1 1 70 70 GLN CG C 13 35.357 0.400 . 1 . . . A 70 GLN CG . 18161 1 852 . 1 1 70 70 GLN N N 15 116.573 0.400 . 1 . . . A 70 GLN N . 18161 1 853 . 1 1 70 70 GLN NE2 N 15 109.528 0.400 . 1 . . . A 70 GLN NE2 . 18161 1 854 . 1 1 71 71 ASN H H 1 8.305 0.020 . 1 . . . A 71 ASN H . 18161 1 855 . 1 1 71 71 ASN HA H 1 4.414 0.020 . 1 . . . A 71 ASN HA . 18161 1 856 . 1 1 71 71 ASN HB2 H 1 2.912 0.020 . 2 . . . A 71 ASN HB2 . 18161 1 857 . 1 1 71 71 ASN HB3 H 1 2.807 0.020 . 2 . . . A 71 ASN HB3 . 18161 1 858 . 1 1 71 71 ASN HD21 H 1 7.698 0.020 . 2 . . . A 71 ASN HD21 . 18161 1 859 . 1 1 71 71 ASN HD22 H 1 6.896 0.020 . 2 . . . A 71 ASN HD22 . 18161 1 860 . 1 1 71 71 ASN C C 13 178.206 0.400 . 1 . . . A 71 ASN C . 18161 1 861 . 1 1 71 71 ASN CA C 13 55.980 0.400 . 1 . . . A 71 ASN CA . 18161 1 862 . 1 1 71 71 ASN CB C 13 38.176 0.400 . 1 . . . A 71 ASN CB . 18161 1 863 . 1 1 71 71 ASN N N 15 118.046 0.400 . 1 . . . A 71 ASN N . 18161 1 864 . 1 1 71 71 ASN ND2 N 15 112.830 0.400 . 1 . . . A 71 ASN ND2 . 18161 1 865 . 1 1 72 72 GLU H H 1 8.488 0.020 . 1 . . . A 72 GLU H . 18161 1 866 . 1 1 72 72 GLU HA H 1 4.019 0.020 . 1 . . . A 72 GLU HA . 18161 1 867 . 1 1 72 72 GLU HB2 H 1 1.877 0.020 . 1 . . . A 72 GLU HB2 . 18161 1 868 . 1 1 72 72 GLU HB3 H 1 1.877 0.020 . 1 . . . A 72 GLU HB3 . 18161 1 869 . 1 1 72 72 GLU HG2 H 1 2.198 0.020 . 2 . . . A 72 GLU HG2 . 18161 1 870 . 1 1 72 72 GLU HG3 H 1 2.327 0.020 . 2 . . . A 72 GLU HG3 . 18161 1 871 . 1 1 72 72 GLU C C 13 178.086 0.400 . 1 . . . A 72 GLU C . 18161 1 872 . 1 1 72 72 GLU CA C 13 58.742 0.400 . 1 . . . A 72 GLU CA . 18161 1 873 . 1 1 72 72 GLU CB C 13 28.947 0.400 . 1 . . . A 72 GLU CB . 18161 1 874 . 1 1 72 72 GLU CG C 13 36.010 0.400 . 1 . . . A 72 GLU CG . 18161 1 875 . 1 1 72 72 GLU N N 15 121.444 0.400 . 1 . . . A 72 GLU N . 18161 1 876 . 1 1 73 73 ALA H H 1 8.524 0.020 . 1 . . . A 73 ALA H . 18161 1 877 . 1 1 73 73 ALA HA H 1 3.644 0.020 . 1 . . . A 73 ALA HA . 18161 1 878 . 1 1 73 73 ALA HB1 H 1 1.062 0.020 . 1 . . . A 73 ALA HB1 . 18161 1 879 . 1 1 73 73 ALA HB2 H 1 1.062 0.020 . 1 . . . A 73 ALA HB2 . 18161 1 880 . 1 1 73 73 ALA HB3 H 1 1.062 0.020 . 1 . . . A 73 ALA HB3 . 18161 1 881 . 1 1 73 73 ALA C C 13 179.576 0.400 . 1 . . . A 73 ALA C . 18161 1 882 . 1 1 73 73 ALA CA C 13 55.743 0.400 . 1 . . . A 73 ALA CA . 18161 1 883 . 1 1 73 73 ALA CB C 13 17.209 0.400 . 1 . . . A 73 ALA CB . 18161 1 884 . 1 1 73 73 ALA N N 15 121.841 0.400 . 1 . . . A 73 ALA N . 18161 1 885 . 1 1 74 74 LYS H H 1 7.756 0.020 . 1 . . . A 74 LYS H . 18161 1 886 . 1 1 74 74 LYS HA H 1 4.202 0.020 . 1 . . . A 74 LYS HA . 18161 1 887 . 1 1 74 74 LYS HB2 H 1 1.967 0.020 . 2 . . . A 74 LYS HB2 . 18161 1 888 . 1 1 74 74 LYS HB3 H 1 2.037 0.020 . 2 . . . A 74 LYS HB3 . 18161 1 889 . 1 1 74 74 LYS HG2 H 1 1.699 0.020 . 2 . . . A 74 LYS HG2 . 18161 1 890 . 1 1 74 74 LYS HG3 H 1 1.517 0.020 . 2 . . . A 74 LYS HG3 . 18161 1 891 . 1 1 74 74 LYS HD2 H 1 1.766 0.020 . 1 . . . A 74 LYS HD2 . 18161 1 892 . 1 1 74 74 LYS HD3 H 1 1.767 0.020 . 1 . . . A 74 LYS HD3 . 18161 1 893 . 1 1 74 74 LYS HE2 H 1 3.034 0.020 . 1 . . . A 74 LYS HE2 . 18161 1 894 . 1 1 74 74 LYS HE3 H 1 3.034 0.020 . 1 . . . A 74 LYS HE3 . 18161 1 895 . 1 1 74 74 LYS C C 13 180.000 0.400 . 1 . . . A 74 LYS C . 18161 1 896 . 1 1 74 74 LYS CA C 13 59.147 0.400 . 1 . . . A 74 LYS CA . 18161 1 897 . 1 1 74 74 LYS CB C 13 32.437 0.400 . 1 . . . A 74 LYS CB . 18161 1 898 . 1 1 74 74 LYS CG C 13 25.068 0.400 . 1 . . . A 74 LYS CG . 18161 1 899 . 1 1 74 74 LYS CD C 13 28.780 0.400 . 1 . . . A 74 LYS CD . 18161 1 900 . 1 1 74 74 LYS CE C 13 42.337 0.400 . 1 . . . A 74 LYS CE . 18161 1 901 . 1 1 74 74 LYS N N 15 116.743 0.400 . 1 . . . A 74 LYS N . 18161 1 902 . 1 1 75 75 LYS H H 1 7.697 0.020 . 1 . . . A 75 LYS H . 18161 1 903 . 1 1 75 75 LYS HA H 1 4.004 0.020 . 1 . . . A 75 LYS HA . 18161 1 904 . 1 1 75 75 LYS HB2 H 1 1.953 0.020 . 2 . . . A 75 LYS HB2 . 18161 1 905 . 1 1 75 75 LYS HB3 H 1 1.945 0.020 . 2 . . . A 75 LYS HB3 . 18161 1 906 . 1 1 75 75 LYS HG2 H 1 1.550 0.020 . 2 . . . A 75 LYS HG2 . 18161 1 907 . 1 1 75 75 LYS HG3 H 1 1.414 0.020 . 2 . . . A 75 LYS HG3 . 18161 1 908 . 1 1 75 75 LYS HD2 H 1 1.688 0.020 . 1 . . . A 75 LYS HD2 . 18161 1 909 . 1 1 75 75 LYS HD3 H 1 1.688 0.020 . 1 . . . A 75 LYS HD3 . 18161 1 910 . 1 1 75 75 LYS HE2 H 1 2.918 0.020 . 1 . . . A 75 LYS HE2 . 18161 1 911 . 1 1 75 75 LYS HE3 H 1 2.918 0.020 . 1 . . . A 75 LYS HE3 . 18161 1 912 . 1 1 75 75 LYS C C 13 178.326 0.400 . 1 . . . A 75 LYS C . 18161 1 913 . 1 1 75 75 LYS CA C 13 59.178 0.400 . 1 . . . A 75 LYS CA . 18161 1 914 . 1 1 75 75 LYS CB C 13 32.306 0.400 . 1 . . . A 75 LYS CB . 18161 1 915 . 1 1 75 75 LYS CG C 13 24.758 0.400 . 1 . . . A 75 LYS CG . 18161 1 916 . 1 1 75 75 LYS CD C 13 29.498 0.400 . 1 . . . A 75 LYS CD . 18161 1 917 . 1 1 75 75 LYS CE C 13 41.780 0.400 . 1 . . . A 75 LYS CE . 18161 1 918 . 1 1 75 75 LYS N N 15 120.312 0.400 . 1 . . . A 75 LYS N . 18161 1 919 . 1 1 76 76 GLU H H 1 7.865 0.020 . 1 . . . A 76 GLU H . 18161 1 920 . 1 1 76 76 GLU HA H 1 4.469 0.020 . 1 . . . A 76 GLU HA . 18161 1 921 . 1 1 76 76 GLU HB2 H 1 1.669 0.020 . 2 . . . A 76 GLU HB2 . 18161 1 922 . 1 1 76 76 GLU HB3 H 1 2.220 0.020 . 2 . . . A 76 GLU HB3 . 18161 1 923 . 1 1 76 76 GLU HG2 H 1 2.317 0.020 . 2 . . . A 76 GLU HG2 . 18161 1 924 . 1 1 76 76 GLU HG3 H 1 2.210 0.020 . 2 . . . A 76 GLU HG3 . 18161 1 925 . 1 1 76 76 GLU C C 13 176.331 0.400 . 1 . . . A 76 GLU C . 18161 1 926 . 1 1 76 76 GLU CA C 13 55.132 0.400 . 1 . . . A 76 GLU CA . 18161 1 927 . 1 1 76 76 GLU CB C 13 29.889 0.400 . 1 . . . A 76 GLU CB . 18161 1 928 . 1 1 76 76 GLU CG C 13 35.142 0.400 . 1 . . . A 76 GLU CG . 18161 1 929 . 1 1 76 76 GLU N N 15 114.648 0.400 . 1 . . . A 76 GLU N . 18161 1 930 . 1 1 77 77 GLY H H 1 7.799 0.020 . 1 . . . A 77 GLY H . 18161 1 931 . 1 1 77 77 GLY HA2 H 1 3.872 0.020 . 2 . . . A 77 GLY HA2 . 18161 1 932 . 1 1 77 77 GLY HA3 H 1 4.012 0.020 . 2 . . . A 77 GLY HA3 . 18161 1 933 . 1 1 77 77 GLY C C 13 174.672 0.400 . 1 . . . A 77 GLY C . 18161 1 934 . 1 1 77 77 GLY CA C 13 46.469 0.400 . 1 . . . A 77 GLY CA . 18161 1 935 . 1 1 77 77 GLY N N 15 108.984 0.400 . 1 . . . A 77 GLY N . 18161 1 936 . 1 1 78 78 VAL H H 1 8.365 0.020 . 1 . . . A 78 VAL H . 18161 1 937 . 1 1 78 78 VAL HA H 1 4.100 0.020 . 1 . . . A 78 VAL HA . 18161 1 938 . 1 1 78 78 VAL HB H 1 1.856 0.020 . 1 . . . A 78 VAL HB . 18161 1 939 . 1 1 78 78 VAL HG11 H 1 0.961 0.020 . 2 . . . A 78 VAL HG11 . 18161 1 940 . 1 1 78 78 VAL HG12 H 1 0.961 0.020 . 2 . . . A 78 VAL HG12 . 18161 1 941 . 1 1 78 78 VAL HG13 H 1 0.961 0.020 . 2 . . . A 78 VAL HG13 . 18161 1 942 . 1 1 78 78 VAL HG21 H 1 0.885 0.020 . 2 . . . A 78 VAL HG21 . 18161 1 943 . 1 1 78 78 VAL HG22 H 1 0.885 0.020 . 2 . . . A 78 VAL HG22 . 18161 1 944 . 1 1 78 78 VAL HG23 H 1 0.885 0.020 . 2 . . . A 78 VAL HG23 . 18161 1 945 . 1 1 78 78 VAL C C 13 175.249 0.400 . 1 . . . A 78 VAL C . 18161 1 946 . 1 1 78 78 VAL CA C 13 61.784 0.400 . 1 . . . A 78 VAL CA . 18161 1 947 . 1 1 78 78 VAL CB C 13 33.569 0.400 . 1 . . . A 78 VAL CB . 18161 1 948 . 1 1 78 78 VAL CG1 C 13 21.310 0.400 . 1 . . . A 78 VAL CG1 . 18161 1 949 . 1 1 78 78 VAL CG2 C 13 21.713 0.400 . 1 . . . A 78 VAL CG2 . 18161 1 950 . 1 1 78 78 VAL N N 15 122.181 0.400 . 1 . . . A 78 VAL N . 18161 1 951 . 1 1 79 79 SER H H 1 8.648 0.020 . 1 . . . A 79 SER H . 18161 1 952 . 1 1 79 79 SER HA H 1 4.514 0.020 . 1 . . . A 79 SER HA . 18161 1 953 . 1 1 79 79 SER HB2 H 1 3.868 0.020 . 1 . . . A 79 SER HB2 . 18161 1 954 . 1 1 79 79 SER HB3 H 1 3.868 0.020 . 1 . . . A 79 SER HB3 . 18161 1 955 . 1 1 79 79 SER C C 13 172.844 0.400 . 1 . . . A 79 SER C . 18161 1 956 . 1 1 79 79 SER CA C 13 58.149 0.400 . 1 . . . A 79 SER CA . 18161 1 957 . 1 1 79 79 SER CB C 13 63.880 0.400 . 1 . . . A 79 SER CB . 18161 1 958 . 1 1 79 79 SER N N 15 123.710 0.400 . 1 . . . A 79 SER N . 18161 1 959 . 1 1 80 80 TYR H H 1 7.969 0.020 . 1 . . . A 80 TYR H . 18161 1 960 . 1 1 80 80 TYR HA H 1 5.876 0.020 . 1 . . . A 80 TYR HA . 18161 1 961 . 1 1 80 80 TYR HB2 H 1 2.869 0.020 . 2 . . . A 80 TYR HB2 . 18161 1 962 . 1 1 80 80 TYR HB3 H 1 2.867 0.020 . 2 . . . A 80 TYR HB3 . 18161 1 963 . 1 1 80 80 TYR HD1 H 1 6.873 0.020 . 1 . . . A 80 TYR HD1 . 18161 1 964 . 1 1 80 80 TYR HD2 H 1 6.873 0.020 . 1 . . . A 80 TYR HD2 . 18161 1 965 . 1 1 80 80 TYR HE1 H 1 6.725 0.020 . 1 . . . A 80 TYR HE1 . 18161 1 966 . 1 1 80 80 TYR HE2 H 1 6.725 0.020 . 1 . . . A 80 TYR HE2 . 18161 1 967 . 1 1 80 80 TYR C C 13 172.772 0.400 . 1 . . . A 80 TYR C . 18161 1 968 . 1 1 80 80 TYR CA C 13 55.520 0.400 . 1 . . . A 80 TYR CA . 18161 1 969 . 1 1 80 80 TYR CB C 13 41.612 0.400 . 1 . . . A 80 TYR CB . 18161 1 970 . 1 1 80 80 TYR CD1 C 13 133.281 0.400 . 1 . . . A 80 TYR CD1 . 18161 1 971 . 1 1 80 80 TYR CD2 C 13 133.752 0.400 . 1 . . . A 80 TYR CD2 . 18161 1 972 . 1 1 80 80 TYR CE1 C 13 117.713 0.400 . 1 . . . A 80 TYR CE1 . 18161 1 973 . 1 1 80 80 TYR CE2 C 13 117.910 0.400 . 1 . . . A 80 TYR CE2 . 18161 1 974 . 1 1 80 80 TYR N N 15 119.009 0.400 . 1 . . . A 80 TYR N . 18161 1 975 . 1 1 81 81 ASP H H 1 8.564 0.020 . 1 . . . A 81 ASP H . 18161 1 976 . 1 1 81 81 ASP HA H 1 4.916 0.020 . 1 . . . A 81 ASP HA . 18161 1 977 . 1 1 81 81 ASP HB2 H 1 2.482 0.020 . 2 . . . A 81 ASP HB2 . 18161 1 978 . 1 1 81 81 ASP HB3 H 1 2.394 0.020 . 2 . . . A 81 ASP HB3 . 18161 1 979 . 1 1 81 81 ASP C C 13 173.998 0.400 . 1 . . . A 81 ASP C . 18161 1 980 . 1 1 81 81 ASP CA C 13 52.537 0.400 . 1 . . . A 81 ASP CA . 18161 1 981 . 1 1 81 81 ASP CB C 13 44.729 0.400 . 1 . . . A 81 ASP CB . 18161 1 982 . 1 1 81 81 ASP N N 15 120.595 0.400 . 1 . . . A 81 ASP N . 18161 1 983 . 1 1 82 82 VAL H H 1 8.632 0.020 . 1 . . . A 82 VAL H . 18161 1 984 . 1 1 82 82 VAL HA H 1 4.815 0.020 . 1 . . . A 82 VAL HA . 18161 1 985 . 1 1 82 82 VAL HB H 1 1.974 0.020 . 1 . . . A 82 VAL HB . 18161 1 986 . 1 1 82 82 VAL HG11 H 1 0.851 0.020 . 2 . . . A 82 VAL HG11 . 18161 1 987 . 1 1 82 82 VAL HG12 H 1 0.851 0.020 . 2 . . . A 82 VAL HG12 . 18161 1 988 . 1 1 82 82 VAL HG13 H 1 0.851 0.020 . 2 . . . A 82 VAL HG13 . 18161 1 989 . 1 1 82 82 VAL HG21 H 1 1.061 0.020 . 2 . . . A 82 VAL HG21 . 18161 1 990 . 1 1 82 82 VAL HG22 H 1 1.061 0.020 . 2 . . . A 82 VAL HG22 . 18161 1 991 . 1 1 82 82 VAL HG23 H 1 1.061 0.020 . 2 . . . A 82 VAL HG23 . 18161 1 992 . 1 1 82 82 VAL C C 13 174.527 0.400 . 1 . . . A 82 VAL C . 18161 1 993 . 1 1 82 82 VAL CA C 13 61.454 0.400 . 1 . . . A 82 VAL CA . 18161 1 994 . 1 1 82 82 VAL CB C 13 34.085 0.400 . 1 . . . A 82 VAL CB . 18161 1 995 . 1 1 82 82 VAL CG1 C 13 21.310 0.400 . 1 . . . A 82 VAL CG1 . 18161 1 996 . 1 1 82 82 VAL CG2 C 13 21.815 0.400 . 1 . . . A 82 VAL CG2 . 18161 1 997 . 1 1 82 82 VAL N N 15 121.048 0.400 . 1 . . . A 82 VAL N . 18161 1 998 . 1 1 83 83 LEU H H 1 9.160 0.020 . 1 . . . A 83 LEU H . 18161 1 999 . 1 1 83 83 LEU HA H 1 4.621 0.020 . 1 . . . A 83 LEU HA . 18161 1 1000 . 1 1 83 83 LEU HB2 H 1 1.615 0.020 . 2 . . . A 83 LEU HB2 . 18161 1 1001 . 1 1 83 83 LEU HB3 H 1 1.194 0.020 . 2 . . . A 83 LEU HB3 . 18161 1 1002 . 1 1 83 83 LEU HG H 1 1.350 0.020 . 1 . . . A 83 LEU HG . 18161 1 1003 . 1 1 83 83 LEU HD11 H 1 0.861 0.020 . 2 . . . A 83 LEU HD11 . 18161 1 1004 . 1 1 83 83 LEU HD12 H 1 0.861 0.020 . 2 . . . A 83 LEU HD12 . 18161 1 1005 . 1 1 83 83 LEU HD13 H 1 0.861 0.020 . 2 . . . A 83 LEU HD13 . 18161 1 1006 . 1 1 83 83 LEU HD21 H 1 0.818 0.020 . 2 . . . A 83 LEU HD21 . 18161 1 1007 . 1 1 83 83 LEU HD22 H 1 0.818 0.020 . 2 . . . A 83 LEU HD22 . 18161 1 1008 . 1 1 83 83 LEU HD23 H 1 0.818 0.020 . 2 . . . A 83 LEU HD23 . 18161 1 1009 . 1 1 83 83 LEU C C 13 172.484 0.400 . 1 . . . A 83 LEU C . 18161 1 1010 . 1 1 83 83 LEU CA C 13 53.568 0.400 . 1 . . . A 83 LEU CA . 18161 1 1011 . 1 1 83 83 LEU CB C 13 44.551 0.400 . 1 . . . A 83 LEU CB . 18161 1 1012 . 1 1 83 83 LEU CG C 13 27.269 0.400 . 1 . . . A 83 LEU CG . 18161 1 1013 . 1 1 83 83 LEU CD1 C 13 23.168 0.400 . 1 . . . A 83 LEU CD1 . 18161 1 1014 . 1 1 83 83 LEU CD2 C 13 27.830 0.400 . 1 . . . A 83 LEU CD2 . 18161 1 1015 . 1 1 83 83 LEU N N 15 131.572 0.400 . 1 . . . A 83 LEU N . 18161 1 1016 . 1 1 84 84 LYS H H 1 8.618 0.020 . 1 . . . A 84 LYS H . 18161 1 1017 . 1 1 84 84 LYS HA H 1 5.431 0.020 . 1 . . . A 84 LYS HA . 18161 1 1018 . 1 1 84 84 LYS HB2 H 1 1.789 0.020 . 2 . . . A 84 LYS HB2 . 18161 1 1019 . 1 1 84 84 LYS HB3 H 1 1.513 0.020 . 2 . . . A 84 LYS HB3 . 18161 1 1020 . 1 1 84 84 LYS HG2 H 1 1.238 0.020 . 2 . . . A 84 LYS HG2 . 18161 1 1021 . 1 1 84 84 LYS HG3 H 1 1.233 0.020 . 2 . . . A 84 LYS HG3 . 18161 1 1022 . 1 1 84 84 LYS HD2 H 1 1.627 0.020 . 1 . . . A 84 LYS HD2 . 18161 1 1023 . 1 1 84 84 LYS HD3 H 1 1.627 0.020 . 1 . . . A 84 LYS HD3 . 18161 1 1024 . 1 1 84 84 LYS HE2 H 1 2.866 0.020 . 2 . . . A 84 LYS HE2 . 18161 1 1025 . 1 1 84 84 LYS HE3 H 1 2.864 0.020 . 2 . . . A 84 LYS HE3 . 18161 1 1026 . 1 1 84 84 LYS C C 13 175.609 0.400 . 1 . . . A 84 LYS C . 18161 1 1027 . 1 1 84 84 LYS CA C 13 54.252 0.400 . 1 . . . A 84 LYS CA . 18161 1 1028 . 1 1 84 84 LYS CB C 13 34.035 0.400 . 1 . . . A 84 LYS CB . 18161 1 1029 . 1 1 84 84 LYS CG C 13 24.910 0.400 . 1 . . . A 84 LYS CG . 18161 1 1030 . 1 1 84 84 LYS CD C 13 29.702 0.400 . 1 . . . A 84 LYS CD . 18161 1 1031 . 1 1 84 84 LYS CE C 13 42.145 0.400 . 1 . . . A 84 LYS CE . 18161 1 1032 . 1 1 84 84 LYS N N 15 126.882 0.400 . 1 . . . A 84 LYS N . 18161 1 1033 . 1 1 85 85 SER H H 1 7.909 0.020 . 1 . . . A 85 SER H . 18161 1 1034 . 1 1 85 85 SER HA H 1 4.697 0.020 . 1 . . . A 85 SER HA . 18161 1 1035 . 1 1 85 85 SER HB2 H 1 3.939 0.020 . 2 . . . A 85 SER HB2 . 18161 1 1036 . 1 1 85 85 SER HB3 H 1 3.214 0.020 . 2 . . . A 85 SER HB3 . 18161 1 1037 . 1 1 85 85 SER C C 13 174.046 0.400 . 1 . . . A 85 SER C . 18161 1 1038 . 1 1 85 85 SER CA C 13 57.502 0.400 . 1 . . . A 85 SER CA . 18161 1 1039 . 1 1 85 85 SER CB C 13 64.030 0.400 . 1 . . . A 85 SER CB . 18161 1 1040 . 1 1 85 85 SER N N 15 116.290 0.400 . 1 . . . A 85 SER N . 18161 1 1041 . 1 1 86 86 THR H H 1 8.782 0.020 . 1 . . . A 86 THR H . 18161 1 1042 . 1 1 86 86 THR HA H 1 4.349 0.020 . 1 . . . A 86 THR HA . 18161 1 1043 . 1 1 86 86 THR HB H 1 4.596 0.020 . 1 . . . A 86 THR HB . 18161 1 1044 . 1 1 86 86 THR HG21 H 1 1.299 0.020 . 1 . . . A 86 THR HG21 . 18161 1 1045 . 1 1 86 86 THR HG22 H 1 1.299 0.020 . 1 . . . A 86 THR HG22 . 18161 1 1046 . 1 1 86 86 THR HG23 H 1 1.299 0.020 . 1 . . . A 86 THR HG23 . 18161 1 1047 . 1 1 86 86 THR C C 13 172.147 0.400 . 1 . . . A 86 THR C . 18161 1 1048 . 1 1 86 86 THR CA C 13 61.225 0.400 . 1 . . . A 86 THR CA . 18161 1 1049 . 1 1 86 86 THR CB C 13 68.857 0.400 . 1 . . . A 86 THR CB . 18161 1 1050 . 1 1 86 86 THR CG2 C 13 22.563 0.400 . 1 . . . A 86 THR CG2 . 18161 1 1051 . 1 1 86 86 THR N N 15 115.497 0.400 . 1 . . . A 86 THR N . 18161 1 1052 . 1 1 87 87 ASP H H 1 8.731 0.020 . 1 . . . A 87 ASP H . 18161 1 1053 . 1 1 87 87 ASP HA H 1 5.172 0.020 . 1 . . . A 87 ASP HA . 18161 1 1054 . 1 1 87 87 ASP HB2 H 1 3.030 0.020 . 2 . . . A 87 ASP HB2 . 18161 1 1055 . 1 1 87 87 ASP HB3 H 1 2.653 0.020 . 2 . . . A 87 ASP HB3 . 18161 1 1056 . 1 1 87 87 ASP CA C 13 50.526 0.400 . 1 . . . A 87 ASP CA . 18161 1 1057 . 1 1 87 87 ASP CB C 13 42.355 0.400 . 1 . . . A 87 ASP CB . 18161 1 1058 . 1 1 87 87 ASP N N 15 124.446 0.400 . 1 . . . A 87 ASP N . 18161 1 1059 . 1 1 88 88 PRO HA H 1 4.082 0.020 . 1 . . . A 88 PRO HA . 18161 1 1060 . 1 1 88 88 PRO HB2 H 1 2.228 0.020 . 2 . . . A 88 PRO HB2 . 18161 1 1061 . 1 1 88 88 PRO HB3 H 1 2.077 0.020 . 2 . . . A 88 PRO HB3 . 18161 1 1062 . 1 1 88 88 PRO HG2 H 1 2.105 0.020 . 2 . . . A 88 PRO HG2 . 18161 1 1063 . 1 1 88 88 PRO HG3 H 1 2.223 0.020 . 2 . . . A 88 PRO HG3 . 18161 1 1064 . 1 1 88 88 PRO HD2 H 1 4.151 0.020 . 1 . . . A 88 PRO HD2 . 18161 1 1065 . 1 1 88 88 PRO HD3 H 1 4.152 0.020 . 1 . . . A 88 PRO HD3 . 18161 1 1066 . 1 1 88 88 PRO C C 13 178.759 0.400 . 1 . . . A 88 PRO C . 18161 1 1067 . 1 1 88 88 PRO CA C 13 64.996 0.400 . 1 . . . A 88 PRO CA . 18161 1 1068 . 1 1 88 88 PRO CB C 13 32.253 0.400 . 1 . . . A 88 PRO CB . 18161 1 1069 . 1 1 88 88 PRO CG C 13 27.140 0.400 . 1 . . . A 88 PRO CG . 18161 1 1070 . 1 1 88 88 PRO CD C 13 51.095 0.400 . 1 . . . A 88 PRO CD . 18161 1 1071 . 1 1 89 89 GLU H H 1 8.098 0.020 . 1 . . . A 89 GLU H . 18161 1 1072 . 1 1 89 89 GLU HA H 1 4.168 0.020 . 1 . . . A 89 GLU HA . 18161 1 1073 . 1 1 89 89 GLU HB2 H 1 2.128 0.020 . 1 . . . A 89 GLU HB2 . 18161 1 1074 . 1 1 89 89 GLU HB3 H 1 2.127 0.020 . 1 . . . A 89 GLU HB3 . 18161 1 1075 . 1 1 89 89 GLU HG2 H 1 2.310 0.020 . 2 . . . A 89 GLU HG2 . 18161 1 1076 . 1 1 89 89 GLU HG3 H 1 2.359 0.020 . 2 . . . A 89 GLU HG3 . 18161 1 1077 . 1 1 89 89 GLU C C 13 178.446 0.400 . 1 . . . A 89 GLU C . 18161 1 1078 . 1 1 89 89 GLU CA C 13 58.996 0.400 . 1 . . . A 89 GLU CA . 18161 1 1079 . 1 1 89 89 GLU CB C 13 28.433 0.400 . 1 . . . A 89 GLU CB . 18161 1 1080 . 1 1 89 89 GLU CG C 13 36.010 0.400 . 1 . . . A 89 GLU CG . 18161 1 1081 . 1 1 89 89 GLU N N 15 119.745 0.400 . 1 . . . A 89 GLU N . 18161 1 1082 . 1 1 90 90 GLU H H 1 7.385 0.020 . 1 . . . A 90 GLU H . 18161 1 1083 . 1 1 90 90 GLU HA H 1 4.051 0.020 . 1 . . . A 90 GLU HA . 18161 1 1084 . 1 1 90 90 GLU HB2 H 1 2.228 0.020 . 2 . . . A 90 GLU HB2 . 18161 1 1085 . 1 1 90 90 GLU HB3 H 1 2.040 0.020 . 2 . . . A 90 GLU HB3 . 18161 1 1086 . 1 1 90 90 GLU HG2 H 1 2.310 0.020 . 1 . . . A 90 GLU HG2 . 18161 1 1087 . 1 1 90 90 GLU HG3 H 1 2.310 0.020 . 1 . . . A 90 GLU HG3 . 18161 1 1088 . 1 1 90 90 GLU C C 13 178.711 0.400 . 1 . . . A 90 GLU C . 18161 1 1089 . 1 1 90 90 GLU CA C 13 59.006 0.400 . 1 . . . A 90 GLU CA . 18161 1 1090 . 1 1 90 90 GLU CB C 13 29.674 0.400 . 1 . . . A 90 GLU CB . 18161 1 1091 . 1 1 90 90 GLU CG C 13 36.010 0.400 . 1 . . . A 90 GLU CG . 18161 1 1092 . 1 1 90 90 GLU N N 15 122.691 0.400 . 1 . . . A 90 GLU N . 18161 1 1093 . 1 1 91 91 LEU H H 1 8.193 0.020 . 1 . . . A 91 LEU H . 18161 1 1094 . 1 1 91 91 LEU HA H 1 3.869 0.020 . 1 . . . A 91 LEU HA . 18161 1 1095 . 1 1 91 91 LEU HB2 H 1 2.003 0.020 . 2 . . . A 91 LEU HB2 . 18161 1 1096 . 1 1 91 91 LEU HB3 H 1 1.273 0.020 . 2 . . . A 91 LEU HB3 . 18161 1 1097 . 1 1 91 91 LEU HG H 1 1.768 0.020 . 1 . . . A 91 LEU HG . 18161 1 1098 . 1 1 91 91 LEU HD11 H 1 0.738 0.020 . 2 . . . A 91 LEU HD11 . 18161 1 1099 . 1 1 91 91 LEU HD12 H 1 0.738 0.020 . 2 . . . A 91 LEU HD12 . 18161 1 1100 . 1 1 91 91 LEU HD13 H 1 0.738 0.020 . 2 . . . A 91 LEU HD13 . 18161 1 1101 . 1 1 91 91 LEU HD21 H 1 0.790 0.020 . 2 . . . A 91 LEU HD21 . 18161 1 1102 . 1 1 91 91 LEU HD22 H 1 0.790 0.020 . 2 . . . A 91 LEU HD22 . 18161 1 1103 . 1 1 91 91 LEU HD23 H 1 0.790 0.020 . 2 . . . A 91 LEU HD23 . 18161 1 1104 . 1 1 91 91 LEU C C 13 177.845 0.400 . 1 . . . A 91 LEU C . 18161 1 1105 . 1 1 91 91 LEU CA C 13 58.367 0.400 . 1 . . . A 91 LEU CA . 18161 1 1106 . 1 1 91 91 LEU CB C 13 43.623 0.400 . 1 . . . A 91 LEU CB . 18161 1 1107 . 1 1 91 91 LEU CG C 13 26.585 0.400 . 1 . . . A 91 LEU CG . 18161 1 1108 . 1 1 91 91 LEU CD1 C 13 25.752 0.400 . 1 . . . A 91 LEU CD1 . 18161 1 1109 . 1 1 91 91 LEU CD2 C 13 25.010 0.400 . 1 . . . A 91 LEU CD2 . 18161 1 1110 . 1 1 91 91 LEU N N 15 116.573 0.400 . 1 . . . A 91 LEU N . 18161 1 1111 . 1 1 92 92 THR H H 1 8.049 0.020 . 1 . . . A 92 THR H . 18161 1 1112 . 1 1 92 92 THR HA H 1 3.730 0.020 . 1 . . . A 92 THR HA . 18161 1 1113 . 1 1 92 92 THR HB H 1 4.288 0.020 . 1 . . . A 92 THR HB . 18161 1 1114 . 1 1 92 92 THR HG21 H 1 1.253 0.020 . 1 . . . A 92 THR HG21 . 18161 1 1115 . 1 1 92 92 THR HG22 H 1 1.253 0.020 . 1 . . . A 92 THR HG22 . 18161 1 1116 . 1 1 92 92 THR HG23 H 1 1.253 0.020 . 1 . . . A 92 THR HG23 . 18161 1 1117 . 1 1 92 92 THR C C 13 178.158 0.400 . 1 . . . A 92 THR C . 18161 1 1118 . 1 1 92 92 THR CA C 13 67.738 0.400 . 1 . . . A 92 THR CA . 18161 1 1119 . 1 1 92 92 THR CB C 13 68.875 0.400 . 1 . . . A 92 THR CB . 18161 1 1120 . 1 1 92 92 THR CG2 C 13 21.365 0.400 . 1 . . . A 92 THR CG2 . 18161 1 1121 . 1 1 92 92 THR N N 15 114.081 0.400 . 1 . . . A 92 THR N . 18161 1 1122 . 1 1 93 93 GLN H H 1 8.193 0.020 . 1 . . . A 93 GLN H . 18161 1 1123 . 1 1 93 93 GLN HA H 1 4.023 0.020 . 1 . . . A 93 GLN HA . 18161 1 1124 . 1 1 93 93 GLN HB2 H 1 2.176 0.020 . 1 . . . A 93 GLN HB2 . 18161 1 1125 . 1 1 93 93 GLN HB3 H 1 2.176 0.020 . 1 . . . A 93 GLN HB3 . 18161 1 1126 . 1 1 93 93 GLN HG2 H 1 2.510 0.020 . 2 . . . A 93 GLN HG2 . 18161 1 1127 . 1 1 93 93 GLN HG3 H 1 2.442 0.020 . 2 . . . A 93 GLN HG3 . 18161 1 1128 . 1 1 93 93 GLN HE21 H 1 7.697 0.020 . 2 . . . A 93 GLN HE21 . 18161 1 1129 . 1 1 93 93 GLN HE22 H 1 6.804 0.020 . 2 . . . A 93 GLN HE22 . 18161 1 1130 . 1 1 93 93 GLN C C 13 178.374 0.400 . 1 . . . A 93 GLN C . 18161 1 1131 . 1 1 93 93 GLN CA C 13 59.177 0.400 . 1 . . . A 93 GLN CA . 18161 1 1132 . 1 1 93 93 GLN CB C 13 27.867 0.400 . 1 . . . A 93 GLN CB . 18161 1 1133 . 1 1 93 93 GLN CG C 13 33.415 0.400 . 1 . . . A 93 GLN CG . 18161 1 1134 . 1 1 93 93 GLN N N 15 120.734 0.400 . 1 . . . A 93 GLN N . 18161 1 1135 . 1 1 93 93 GLN NE2 N 15 111.810 0.400 . 1 . . . A 93 GLN NE2 . 18161 1 1136 . 1 1 94 94 ARG H H 1 8.438 0.020 . 1 . . . A 94 ARG H . 18161 1 1137 . 1 1 94 94 ARG HA H 1 4.143 0.020 . 1 . . . A 94 ARG HA . 18161 1 1138 . 1 1 94 94 ARG HB2 H 1 1.716 0.020 . 2 . . . A 94 ARG HB2 . 18161 1 1139 . 1 1 94 94 ARG HB3 H 1 1.965 0.020 . 2 . . . A 94 ARG HB3 . 18161 1 1140 . 1 1 94 94 ARG HG2 H 1 1.859 0.020 . 2 . . . A 94 ARG HG2 . 18161 1 1141 . 1 1 94 94 ARG HG3 H 1 1.713 0.020 . 2 . . . A 94 ARG HG3 . 18161 1 1142 . 1 1 94 94 ARG HD2 H 1 3.283 0.020 . 1 . . . A 94 ARG HD2 . 18161 1 1143 . 1 1 94 94 ARG HD3 H 1 3.283 0.020 . 1 . . . A 94 ARG HD3 . 18161 1 1144 . 1 1 94 94 ARG HE H 1 7.650 0.020 . 1 . . . A 94 ARG HE . 18161 1 1145 . 1 1 94 94 ARG C C 13 179.985 0.400 . 1 . . . A 94 ARG C . 18161 1 1146 . 1 1 94 94 ARG CA C 13 57.787 0.400 . 1 . . . A 94 ARG CA . 18161 1 1147 . 1 1 94 94 ARG CB C 13 29.483 0.400 . 1 . . . A 94 ARG CB . 18161 1 1148 . 1 1 94 94 ARG CG C 13 26.679 0.400 . 1 . . . A 94 ARG CG . 18161 1 1149 . 1 1 94 94 ARG CD C 13 41.618 0.400 . 1 . . . A 94 ARG CD . 18161 1 1150 . 1 1 94 94 ARG N N 15 118.386 0.400 . 1 . . . A 94 ARG N . 18161 1 1151 . 1 1 94 94 ARG NE N 15 83.227 0.400 . 1 . . . A 94 ARG NE . 18161 1 1152 . 1 1 95 95 VAL H H 1 8.262 0.020 . 1 . . . A 95 VAL H . 18161 1 1153 . 1 1 95 95 VAL HA H 1 3.359 0.020 . 1 . . . A 95 VAL HA . 18161 1 1154 . 1 1 95 95 VAL HB H 1 2.260 0.020 . 1 . . . A 95 VAL HB . 18161 1 1155 . 1 1 95 95 VAL HG11 H 1 0.890 0.020 . 2 . . . A 95 VAL HG11 . 18161 1 1156 . 1 1 95 95 VAL HG12 H 1 0.890 0.020 . 2 . . . A 95 VAL HG12 . 18161 1 1157 . 1 1 95 95 VAL HG13 H 1 0.890 0.020 . 2 . . . A 95 VAL HG13 . 18161 1 1158 . 1 1 95 95 VAL HG21 H 1 0.926 0.020 . 2 . . . A 95 VAL HG21 . 18161 1 1159 . 1 1 95 95 VAL HG22 H 1 0.926 0.020 . 2 . . . A 95 VAL HG22 . 18161 1 1160 . 1 1 95 95 VAL HG23 H 1 0.926 0.020 . 2 . . . A 95 VAL HG23 . 18161 1 1161 . 1 1 95 95 VAL C C 13 176.547 0.400 . 1 . . . A 95 VAL C . 18161 1 1162 . 1 1 95 95 VAL CA C 13 67.427 0.400 . 1 . . . A 95 VAL CA . 18161 1 1163 . 1 1 95 95 VAL CB C 13 31.740 0.400 . 1 . . . A 95 VAL CB . 18161 1 1164 . 1 1 95 95 VAL CG1 C 13 21.815 0.400 . 1 . . . A 95 VAL CG1 . 18161 1 1165 . 1 1 95 95 VAL CG2 C 13 23.515 0.400 . 1 . . . A 95 VAL CG2 . 18161 1 1166 . 1 1 95 95 VAL N N 15 121.388 0.400 . 1 . . . A 95 VAL N . 18161 1 1167 . 1 1 96 96 ARG H H 1 7.930 0.020 . 1 . . . A 96 ARG H . 18161 1 1168 . 1 1 96 96 ARG HA H 1 4.012 0.020 . 1 . . . A 96 ARG HA . 18161 1 1169 . 1 1 96 96 ARG HB2 H 1 2.023 0.020 . 2 . . . A 96 ARG HB2 . 18161 1 1170 . 1 1 96 96 ARG HB3 H 1 2.012 0.020 . 2 . . . A 96 ARG HB3 . 18161 1 1171 . 1 1 96 96 ARG HG2 H 1 1.917 0.020 . 2 . . . A 96 ARG HG2 . 18161 1 1172 . 1 1 96 96 ARG HG3 H 1 1.687 0.020 . 2 . . . A 96 ARG HG3 . 18161 1 1173 . 1 1 96 96 ARG HD2 H 1 3.228 0.020 . 1 . . . A 96 ARG HD2 . 18161 1 1174 . 1 1 96 96 ARG HD3 H 1 3.228 0.020 . 1 . . . A 96 ARG HD3 . 18161 1 1175 . 1 1 96 96 ARG C C 13 179.144 0.400 . 1 . . . A 96 ARG C . 18161 1 1176 . 1 1 96 96 ARG CA C 13 59.666 0.400 . 1 . . . A 96 ARG CA . 18161 1 1177 . 1 1 96 96 ARG CB C 13 30.177 0.400 . 1 . . . A 96 ARG CB . 18161 1 1178 . 1 1 96 96 ARG CG C 13 27.381 0.400 . 1 . . . A 96 ARG CG . 18161 1 1179 . 1 1 96 96 ARG CD C 13 43.879 0.400 . 1 . . . A 96 ARG CD . 18161 1 1180 . 1 1 96 96 ARG N N 15 118.714 0.400 . 1 . . . A 96 ARG N . 18161 1 1181 . 1 1 97 97 GLU H H 1 8.258 0.020 . 1 . . . A 97 GLU H . 18161 1 1182 . 1 1 97 97 GLU HA H 1 3.998 0.020 . 1 . . . A 97 GLU HA . 18161 1 1183 . 1 1 97 97 GLU HB2 H 1 2.145 0.020 . 2 . . . A 97 GLU HB2 . 18161 1 1184 . 1 1 97 97 GLU HB3 H 1 2.098 0.020 . 2 . . . A 97 GLU HB3 . 18161 1 1185 . 1 1 97 97 GLU HG2 H 1 2.357 0.020 . 2 . . . A 97 GLU HG2 . 18161 1 1186 . 1 1 97 97 GLU HG3 H 1 2.434 0.020 . 2 . . . A 97 GLU HG3 . 18161 1 1187 . 1 1 97 97 GLU C C 13 178.519 0.400 . 1 . . . A 97 GLU C . 18161 1 1188 . 1 1 97 97 GLU CA C 13 59.064 0.400 . 1 . . . A 97 GLU CA . 18161 1 1189 . 1 1 97 97 GLU CB C 13 29.591 0.400 . 1 . . . A 97 GLU CB . 18161 1 1190 . 1 1 97 97 GLU CG C 13 36.159 0.400 . 1 . . . A 97 GLU CG . 18161 1 1191 . 1 1 97 97 GLU N N 15 118.159 0.400 . 1 . . . A 97 GLU N . 18161 1 1192 . 1 1 98 98 PHE H H 1 8.152 0.020 . 1 . . . A 98 PHE H . 18161 1 1193 . 1 1 98 98 PHE HA H 1 4.153 0.020 . 1 . . . A 98 PHE HA . 18161 1 1194 . 1 1 98 98 PHE HB2 H 1 3.242 0.020 . 2 . . . A 98 PHE HB2 . 18161 1 1195 . 1 1 98 98 PHE HB3 H 1 2.992 0.020 . 2 . . . A 98 PHE HB3 . 18161 1 1196 . 1 1 98 98 PHE HD1 H 1 6.986 0.020 . 1 . . . A 98 PHE HD1 . 18161 1 1197 . 1 1 98 98 PHE HD2 H 1 6.986 0.020 . 1 . . . A 98 PHE HD2 . 18161 1 1198 . 1 1 98 98 PHE HE1 H 1 7.035 0.020 . 1 . . . A 98 PHE HE1 . 18161 1 1199 . 1 1 98 98 PHE HE2 H 1 7.035 0.020 . 1 . . . A 98 PHE HE2 . 18161 1 1200 . 1 1 98 98 PHE HZ H 1 6.968 0.020 . 1 . . . A 98 PHE HZ . 18161 1 1201 . 1 1 98 98 PHE C C 13 177.148 0.400 . 1 . . . A 98 PHE C . 18161 1 1202 . 1 1 98 98 PHE CA C 13 61.212 0.400 . 1 . . . A 98 PHE CA . 18161 1 1203 . 1 1 98 98 PHE CB C 13 39.860 0.400 . 1 . . . A 98 PHE CB . 18161 1 1204 . 1 1 98 98 PHE CD1 C 13 131.947 0.400 . 1 . . . A 98 PHE CD1 . 18161 1 1205 . 1 1 98 98 PHE CD2 C 13 132.343 0.400 . 1 . . . A 98 PHE CD2 . 18161 1 1206 . 1 1 98 98 PHE CE1 C 13 131.367 0.400 . 1 . . . A 98 PHE CE1 . 18161 1 1207 . 1 1 98 98 PHE CE2 C 13 132.369 0.400 . 1 . . . A 98 PHE CE2 . 18161 1 1208 . 1 1 98 98 PHE CZ C 13 129.729 0.400 . 1 . . . A 98 PHE CZ . 18161 1 1209 . 1 1 98 98 PHE N N 15 121.048 0.400 . 1 . . . A 98 PHE N . 18161 1 1210 . 1 1 99 99 LEU H H 1 7.980 0.020 . 1 . . . A 99 LEU H . 18161 1 1211 . 1 1 99 99 LEU HA H 1 3.754 0.020 . 1 . . . A 99 LEU HA . 18161 1 1212 . 1 1 99 99 LEU HB2 H 1 1.402 0.020 . 2 . . . A 99 LEU HB2 . 18161 1 1213 . 1 1 99 99 LEU HB3 H 1 0.938 0.020 . 2 . . . A 99 LEU HB3 . 18161 1 1214 . 1 1 99 99 LEU HG H 1 1.620 0.020 . 1 . . . A 99 LEU HG . 18161 1 1215 . 1 1 99 99 LEU HD11 H 1 0.195 0.020 . 2 . . . A 99 LEU HD11 . 18161 1 1216 . 1 1 99 99 LEU HD12 H 1 0.195 0.020 . 2 . . . A 99 LEU HD12 . 18161 1 1217 . 1 1 99 99 LEU HD13 H 1 0.195 0.020 . 2 . . . A 99 LEU HD13 . 18161 1 1218 . 1 1 99 99 LEU HD21 H 1 0.565 0.020 . 2 . . . A 99 LEU HD21 . 18161 1 1219 . 1 1 99 99 LEU HD22 H 1 0.565 0.020 . 2 . . . A 99 LEU HD22 . 18161 1 1220 . 1 1 99 99 LEU HD23 H 1 0.565 0.020 . 2 . . . A 99 LEU HD23 . 18161 1 1221 . 1 1 99 99 LEU C C 13 178.470 0.400 . 1 . . . A 99 LEU C . 18161 1 1222 . 1 1 99 99 LEU CA C 13 56.290 0.400 . 1 . . . A 99 LEU CA . 18161 1 1223 . 1 1 99 99 LEU CB C 13 41.003 0.400 . 1 . . . A 99 LEU CB . 18161 1 1224 . 1 1 99 99 LEU CG C 13 26.770 0.400 . 1 . . . A 99 LEU CG . 18161 1 1225 . 1 1 99 99 LEU CD1 C 13 25.183 0.400 . 1 . . . A 99 LEU CD1 . 18161 1 1226 . 1 1 99 99 LEU CD2 C 13 22.103 0.400 . 1 . . . A 99 LEU CD2 . 18161 1 1227 . 1 1 99 99 LEU N N 15 117.083 0.400 . 1 . . . A 99 LEU N . 18161 1 1228 . 1 1 100 100 LYS H H 1 7.884 0.020 . 1 . . . A 100 LYS H . 18161 1 1229 . 1 1 100 100 LYS HA H 1 4.127 0.020 . 1 . . . A 100 LYS HA . 18161 1 1230 . 1 1 100 100 LYS HB2 H 1 1.962 0.020 . 1 . . . A 100 LYS HB2 . 18161 1 1231 . 1 1 100 100 LYS HB3 H 1 1.961 0.020 . 1 . . . A 100 LYS HB3 . 18161 1 1232 . 1 1 100 100 LYS HG2 H 1 1.438 0.020 . 2 . . . A 100 LYS HG2 . 18161 1 1233 . 1 1 100 100 LYS HG3 H 1 1.496 0.020 . 2 . . . A 100 LYS HG3 . 18161 1 1234 . 1 1 100 100 LYS HD2 H 1 1.671 0.020 . 1 . . . A 100 LYS HD2 . 18161 1 1235 . 1 1 100 100 LYS HD3 H 1 1.670 0.020 . 1 . . . A 100 LYS HD3 . 18161 1 1236 . 1 1 100 100 LYS HE2 H 1 2.954 0.020 . 1 . . . A 100 LYS HE2 . 18161 1 1237 . 1 1 100 100 LYS HE3 H 1 2.955 0.020 . 1 . . . A 100 LYS HE3 . 18161 1 1238 . 1 1 100 100 LYS C C 13 178.519 0.400 . 1 . . . A 100 LYS C . 18161 1 1239 . 1 1 100 100 LYS CA C 13 59.128 0.400 . 1 . . . A 100 LYS CA . 18161 1 1240 . 1 1 100 100 LYS CB C 13 32.034 0.400 . 1 . . . A 100 LYS CB . 18161 1 1241 . 1 1 100 100 LYS CG C 13 24.910 0.400 . 1 . . . A 100 LYS CG . 18161 1 1242 . 1 1 100 100 LYS CD C 13 29.581 0.400 . 1 . . . A 100 LYS CD . 18161 1 1243 . 1 1 100 100 LYS CE C 13 42.131 0.400 . 1 . . . A 100 LYS CE . 18161 1 1244 . 1 1 100 100 LYS N N 15 120.538 0.400 . 1 . . . A 100 LYS N . 18161 1 1245 . 1 1 101 101 THR H H 1 7.854 0.020 . 1 . . . A 101 THR H . 18161 1 1246 . 1 1 101 101 THR HA H 1 4.186 0.020 . 1 . . . A 101 THR HA . 18161 1 1247 . 1 1 101 101 THR HB H 1 4.244 0.020 . 1 . . . A 101 THR HB . 18161 1 1248 . 1 1 101 101 THR HG21 H 1 1.177 0.020 . 1 . . . A 101 THR HG21 . 18161 1 1249 . 1 1 101 101 THR HG22 H 1 1.177 0.020 . 1 . . . A 101 THR HG22 . 18161 1 1250 . 1 1 101 101 THR HG23 H 1 1.177 0.020 . 1 . . . A 101 THR HG23 . 18161 1 1251 . 1 1 101 101 THR C C 13 175.297 0.400 . 1 . . . A 101 THR C . 18161 1 1252 . 1 1 101 101 THR CA C 13 63.285 0.400 . 1 . . . A 101 THR CA . 18161 1 1253 . 1 1 101 101 THR CB C 13 69.257 0.400 . 1 . . . A 101 THR CB . 18161 1 1254 . 1 1 101 101 THR CG2 C 13 21.440 0.400 . 1 . . . A 101 THR CG2 . 18161 1 1255 . 1 1 101 101 THR N N 15 111.476 0.400 . 1 . . . A 101 THR N . 18161 1 1256 . 1 1 102 102 ALA H H 1 7.873 0.020 . 1 . . . A 102 ALA H . 18161 1 1257 . 1 1 102 102 ALA HA H 1 4.045 0.020 . 1 . . . A 102 ALA HA . 18161 1 1258 . 1 1 102 102 ALA HB1 H 1 0.979 0.020 . 1 . . . A 102 ALA HB1 . 18161 1 1259 . 1 1 102 102 ALA HB2 H 1 0.979 0.020 . 1 . . . A 102 ALA HB2 . 18161 1 1260 . 1 1 102 102 ALA HB3 H 1 0.979 0.020 . 1 . . . A 102 ALA HB3 . 18161 1 1261 . 1 1 102 102 ALA C C 13 178.014 0.400 . 1 . . . A 102 ALA C . 18161 1 1262 . 1 1 102 102 ALA CA C 13 53.472 0.400 . 1 . . . A 102 ALA CA . 18161 1 1263 . 1 1 102 102 ALA CB C 13 18.606 0.400 . 1 . . . A 102 ALA CB . 18161 1 1264 . 1 1 102 102 ALA N N 15 124.390 0.400 . 1 . . . A 102 ALA N . 18161 1 1265 . 1 1 103 103 GLY H H 1 7.980 0.020 . 1 . . . A 103 GLY H . 18161 1 1266 . 1 1 103 103 GLY HA2 H 1 3.925 0.020 . 2 . . . A 103 GLY HA2 . 18161 1 1267 . 1 1 103 103 GLY HA3 H 1 3.965 0.020 . 2 . . . A 103 GLY HA3 . 18161 1 1268 . 1 1 103 103 GLY C C 13 174.143 0.400 . 1 . . . A 103 GLY C . 18161 1 1269 . 1 1 103 103 GLY CA C 13 45.564 0.400 . 1 . . . A 103 GLY CA . 18161 1 1270 . 1 1 103 103 GLY N N 15 105.868 0.400 . 1 . . . A 103 GLY N . 18161 1 1271 . 1 1 104 104 SER H H 1 7.941 0.020 . 1 . . . A 104 SER H . 18161 1 1272 . 1 1 104 104 SER HA H 1 4.430 0.020 . 1 . . . A 104 SER HA . 18161 1 1273 . 1 1 104 104 SER HB2 H 1 3.847 0.020 . 1 . . . A 104 SER HB2 . 18161 1 1274 . 1 1 104 104 SER HB3 H 1 3.847 0.020 . 1 . . . A 104 SER HB3 . 18161 1 1275 . 1 1 104 104 SER C C 13 174.575 0.400 . 1 . . . A 104 SER C . 18161 1 1276 . 1 1 104 104 SER CA C 13 58.755 0.400 . 1 . . . A 104 SER CA . 18161 1 1277 . 1 1 104 104 SER CB C 13 63.523 0.400 . 1 . . . A 104 SER CB . 18161 1 1278 . 1 1 104 104 SER N N 15 115.271 0.400 . 1 . . . A 104 SER N . 18161 1 1279 . 1 1 105 105 LEU H H 1 8.194 0.020 . 1 . . . A 105 LEU H . 18161 1 1280 . 1 1 105 105 LEU HA H 1 4.340 0.020 . 1 . . . A 105 LEU HA . 18161 1 1281 . 1 1 105 105 LEU HB2 H 1 1.613 0.020 . 2 . . . A 105 LEU HB2 . 18161 1 1282 . 1 1 105 105 LEU HB3 H 1 1.550 0.020 . 2 . . . A 105 LEU HB3 . 18161 1 1283 . 1 1 105 105 LEU HG H 1 1.594 0.020 . 1 . . . A 105 LEU HG . 18161 1 1284 . 1 1 105 105 LEU HD11 H 1 0.826 0.020 . 2 . . . A 105 LEU HD11 . 18161 1 1285 . 1 1 105 105 LEU HD12 H 1 0.826 0.020 . 2 . . . A 105 LEU HD12 . 18161 1 1286 . 1 1 105 105 LEU HD13 H 1 0.826 0.020 . 2 . . . A 105 LEU HD13 . 18161 1 1287 . 1 1 105 105 LEU HD21 H 1 0.798 0.020 . 2 . . . A 105 LEU HD21 . 18161 1 1288 . 1 1 105 105 LEU HD22 H 1 0.798 0.020 . 2 . . . A 105 LEU HD22 . 18161 1 1289 . 1 1 105 105 LEU HD23 H 1 0.798 0.020 . 2 . . . A 105 LEU HD23 . 18161 1 1290 . 1 1 105 105 LEU C C 13 177.172 0.400 . 1 . . . A 105 LEU C . 18161 1 1291 . 1 1 105 105 LEU CA C 13 54.975 0.400 . 1 . . . A 105 LEU CA . 18161 1 1292 . 1 1 105 105 LEU CB C 13 42.065 0.400 . 1 . . . A 105 LEU CB . 18161 1 1293 . 1 1 105 105 LEU CG C 13 26.770 0.400 . 1 . . . A 105 LEU CG . 18161 1 1294 . 1 1 105 105 LEU CD1 C 13 25.211 0.400 . 1 . . . A 105 LEU CD1 . 18161 1 1295 . 1 1 105 105 LEU CD2 C 13 23.168 0.400 . 1 . . . A 105 LEU CD2 . 18161 1 1296 . 1 1 105 105 LEU N N 15 123.200 0.400 . 1 . . . A 105 LEU N . 18161 1 1297 . 1 1 106 106 GLU H H 1 8.248 0.020 . 1 . . . A 106 GLU H . 18161 1 1298 . 1 1 106 106 GLU HA H 1 4.187 0.020 . 1 . . . A 106 GLU HA . 18161 1 1299 . 1 1 106 106 GLU HB2 H 1 1.918 0.020 . 2 . . . A 106 GLU HB2 . 18161 1 1300 . 1 1 106 106 GLU HB3 H 1 1.854 0.020 . 2 . . . A 106 GLU HB3 . 18161 1 1301 . 1 1 106 106 GLU HG2 H 1 2.213 0.020 . 2 . . . A 106 GLU HG2 . 18161 1 1302 . 1 1 106 106 GLU HG3 H 1 2.126 0.020 . 2 . . . A 106 GLU HG3 . 18161 1 1303 . 1 1 106 106 GLU C C 13 173.974 0.400 . 1 . . . A 106 GLU C . 18161 1 1304 . 1 1 106 106 GLU CA C 13 56.702 0.400 . 1 . . . A 106 GLU CA . 18161 1 1305 . 1 1 106 106 GLU CB C 13 30.185 0.400 . 1 . . . A 106 GLU CB . 18161 1 1306 . 1 1 106 106 GLU CG C 13 36.010 0.400 . 1 . . . A 106 GLU CG . 18161 1 1307 . 1 1 106 106 GLU N N 15 120.595 0.400 . 1 . . . A 106 GLU N . 18161 1 1308 . 1 1 107 107 HIS H H 1 7.963 0.020 . 1 . . . A 107 HIS H . 18161 1 1309 . 1 1 107 107 HIS HA H 1 4.396 0.020 . 1 . . . A 107 HIS HA . 18161 1 1310 . 1 1 107 107 HIS HB2 H 1 3.139 0.020 . 2 . . . A 107 HIS HB2 . 18161 1 1311 . 1 1 107 107 HIS HB3 H 1 3.013 0.020 . 2 . . . A 107 HIS HB3 . 18161 1 1312 . 1 1 107 107 HIS CA C 13 57.441 0.400 . 1 . . . A 107 HIS CA . 18161 1 1313 . 1 1 107 107 HIS CB C 13 30.442 0.400 . 1 . . . A 107 HIS CB . 18161 1 1314 . 1 1 107 107 HIS N N 15 125.693 0.400 . 1 . . . A 107 HIS N . 18161 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 18161 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Alignment media: Peg or Phage, Magnitude -6.349, Rhombicity 0.295, ORI residue number 120' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 9 '2D 1H-15N HSQC' . . . 18161 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -12.050 . . 2.500 . . . . 5 LEU H . 5 LEU N 18161 1 2 DNH . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . -13.467 . . 2.500 . . . . 6 LEU H . 6 LEU N 18161 1 3 DNH . 1 1 7 7 VAL H H 1 . . 1 1 7 7 VAL N N 15 . -8.598 . . 2.500 . . . . 7 VAL H . 7 VAL N 18161 1 4 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -9.399 . . 2.500 . . . . 8 ILE H . 8 ILE N 18161 1 5 DNH . 1 1 14 14 ILE H H 1 . . 1 1 14 14 ILE N N 15 . -0.514 . . 2.500 . . . . 14 ILE H . 14 ILE N 18161 1 6 DNH . 1 1 15 15 ILE H H 1 . . 1 1 15 15 ILE N N 15 . 2.321 . . 2.500 . . . . 15 ILE H . 15 ILE N 18161 1 7 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . 0.150 . . 2.500 . . . . 17 SER H . 17 SER N 18161 1 8 DNH . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . 1.997 . . 2.500 . . . . 18 VAL H . 18 VAL N 18161 1 9 DNH . 1 1 19 19 GLN H H 1 . . 1 1 19 19 GLN N N 15 . 2.493 . . 2.500 . . . . 19 GLN H . 19 GLN N 18161 1 10 DNH . 1 1 21 21 ARG H H 1 . . 1 1 21 21 ARG N N 15 . -1.500 . . 2.500 . . . . 21 ARG H . 21 ARG N 18161 1 11 DNH . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . 3.426 . . 2.500 . . . . 22 ALA H . 22 ALA N 18161 1 12 DNH . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS N N 15 . 4.886 . . 2.500 . . . . 23 LYS H . 23 LYS N 18161 1 13 DNH . 1 1 24 24 HIS H H 1 . . 1 1 24 24 HIS N N 15 . -0.191 . . 2.500 . . . . 24 HIS H . 24 HIS N 18161 1 14 DNH . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE N N 15 . -5.906 . . 2.500 . . . . 31 ILE H . 31 ILE N 18161 1 15 DNH . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG N N 15 . -12.238 . . 2.500 . . . . 32 ARG H . 32 ARG N 18161 1 16 DNH . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR N N 15 . -8.992 . . 2.500 . . . . 33 THR H . 33 THR N 18161 1 17 DNH . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . -0.090 . . 2.500 . . . . 34 ALA H . 34 ALA N 18161 1 18 DNH . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER N N 15 . -3.147 . . 2.500 . . . . 37 SER H . 37 SER N 18161 1 19 DNH . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP N N 15 . 4.442 . . 2.500 . . . . 39 ASP H . 39 ASP N 18161 1 20 DNH . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . 2.376 . . 2.500 . . . . 40 ILE H . 40 ILE N 18161 1 21 DNH . 1 1 42 42 ASP H H 1 . . 1 1 42 42 ASP N N 15 . 2.225 . . 2.500 . . . . 42 ASP H . 42 ASP N 18161 1 22 DNH . 1 1 43 43 ILE H H 1 . . 1 1 43 43 ILE N N 15 . 3.488 . . 2.500 . . . . 43 ILE H . 43 ILE N 18161 1 23 DNH . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER N N 15 . 3.998 . . 2.500 . . . . 46 SER H . 46 SER N 18161 1 24 DNH . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -4.901 . . 2.500 . . . . 48 LYS H . 48 LYS N 18161 1 25 DNH . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS N N 15 . -0.144 . . 2.500 . . . . 52 LYS H . 52 LYS N 18161 1 26 DNH . 1 1 54 54 LEU H H 1 . . 1 1 54 54 LEU N N 15 . -6.589 . . 2.500 . . . . 54 LEU H . 54 LEU N 18161 1 27 DNH . 1 1 55 55 VAL H H 1 . . 1 1 55 55 VAL N N 15 . -10.459 . . 2.500 . . . . 55 VAL H . 55 VAL N 18161 1 28 DNH . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . -12.906 . . 2.500 . . . . 56 VAL H . 56 VAL N 18161 1 29 DNH . 1 1 57 57 PHE H H 1 . . 1 1 57 57 PHE N N 15 . -10.037 . . 2.500 . . . . 57 PHE H . 57 PHE N 18161 1 30 DNH . 1 1 58 58 VAL H H 1 . . 1 1 58 58 VAL N N 15 . -5.538 . . 2.500 . . . . 58 VAL H . 58 VAL N 18161 1 31 DNH . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . 2.629 . . 2.500 . . . . 59 ASN H . 59 ASN N 18161 1 32 DNH . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . -0.932 . . 2.500 . . . . 60 GLY H . 60 GLY N 18161 1 33 DNH . 1 1 61 61 ALA H H 1 . . 1 1 61 61 ALA N N 15 . 1.095 . . 2.500 . . . . 61 ALA H . 61 ALA N 18161 1 34 DNH . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER N N 15 . 3.080 . . 2.500 . . . . 62 SER H . 62 SER N 18161 1 35 DNH . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 5.850 . . 2.500 . . . . 65 ASP H . 65 ASP N 18161 1 36 DNH . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . 2.565 . . 2.500 . . . . 67 ASN H . 67 ASN N 18161 1 37 DNH . 1 1 69 69 PHE H H 1 . . 1 1 69 69 PHE N N 15 . 5.433 . . 2.500 . . . . 69 PHE H . 69 PHE N 18161 1 38 DNH . 1 1 71 71 ASN H H 1 . . 1 1 71 71 ASN N N 15 . 0.274 . . 2.500 . . . . 71 ASN H . 71 ASN N 18161 1 39 DNH . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . 6.888 . . 2.500 . . . . 73 ALA H . 73 ALA N 18161 1 40 DNH . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS N N 15 . 3.395 . . 2.500 . . . . 74 LYS H . 74 LYS N 18161 1 41 DNH . 1 1 76 76 GLU H H 1 . . 1 1 76 76 GLU N N 15 . 4.789 . . 2.500 . . . . 76 GLU H . 76 GLU N 18161 1 42 DNH . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY N N 15 . 0.431 . . 2.500 . . . . 77 GLY H . 77 GLY N 18161 1 43 DNH . 1 1 79 79 SER H H 1 . . 1 1 79 79 SER N N 15 . -0.044 . . 2.500 . . . . 79 SER H . 79 SER N 18161 1 44 DNH . 1 1 81 81 ASP H H 1 . . 1 1 81 81 ASP N N 15 . -10.473 . . 2.500 . . . . 81 ASP H . 81 ASP N 18161 1 45 DNH . 1 1 83 83 LEU H H 1 . . 1 1 83 83 LEU N N 15 . -8.690 . . 2.500 . . . . 83 LEU H . 83 LEU N 18161 1 46 DNH . 1 1 84 84 LYS H H 1 . . 1 1 84 84 LYS N N 15 . -11.393 . . 2.500 . . . . 84 LYS H . 84 LYS N 18161 1 47 DNH . 1 1 85 85 SER H H 1 . . 1 1 85 85 SER N N 15 . -7.824 . . 2.500 . . . . 85 SER H . 85 SER N 18161 1 48 DNH . 1 1 86 86 THR H H 1 . . 1 1 86 86 THR N N 15 . -11.491 . . 2.500 . . . . 86 THR H . 86 THR N 18161 1 49 DNH . 1 1 87 87 ASP H H 1 . . 1 1 87 87 ASP N N 15 . 1.394 . . 2.500 . . . . 87 ASP H . 87 ASP N 18161 1 50 DNH . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . 2.064 . . 2.500 . . . . 89 GLU H . 89 GLU N 18161 1 51 DNH . 1 1 90 90 GLU H H 1 . . 1 1 90 90 GLU N N 15 . 4.424 . . 2.500 . . . . 90 GLU H . 90 GLU N 18161 1 52 DNH . 1 1 91 91 LEU H H 1 . . 1 1 91 91 LEU N N 15 . 4.752 . . 2.500 . . . . 91 LEU H . 91 LEU N 18161 1 53 DNH . 1 1 92 92 THR H H 1 . . 1 1 92 92 THR N N 15 . 8.368 . . 2.500 . . . . 92 THR H . 92 THR N 18161 1 54 DNH . 1 1 94 94 ARG H H 1 . . 1 1 94 94 ARG N N 15 . 1.637 . . 2.500 . . . . 94 ARG H . 94 ARG N 18161 1 55 DNH . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . 2.884 . . 2.500 . . . . 97 GLU H . 97 GLU N 18161 1 56 DNH . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . 4.396 . . 2.500 . . . . 98 PHE H . 98 PHE N 18161 1 57 DNH . 1 1 99 99 LEU H H 1 . . 1 1 99 99 LEU N N 15 . 6.915 . . 2.500 . . . . 99 LEU H . 99 LEU N 18161 1 58 DNH . 1 1 100 100 LYS H H 1 . . 1 1 100 100 LYS N N 15 . 2.330 . . 2.500 . . . . 100 LYS H . 100 LYS N 18161 1 59 DNH . 1 1 101 101 THR H H 1 . . 1 1 101 101 THR N N 15 . 3.420 . . 2.500 . . . . 101 THR H . 101 THR N 18161 1 60 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . 4.577 . . 2.500 . . . . 102 ALA H . 102 ALA N 18161 1 61 DNH . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY N N 15 . 3.288 . . 2.500 . . . . 103 GLY H . 103 GLY N 18161 1 62 DNH . 1 1 105 105 LEU H H 1 . . 1 1 105 105 LEU N N 15 . -0.777 . . 2.500 . . . . 105 LEU H . 105 LEU N 18161 1 63 DNH . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU N N 15 . 0.452 . . 2.500 . . . . 106 GLU H . 106 GLU N 18161 1 64 DNH . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . -1.042 . . 2.500 . . . . 107 HIS H . 107 HIS N 18161 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 18161 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Alignment media: Peg or Phage, Magnitude -14.027, Rhombicity 0.481, ORI residue number 127' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 9 '2D 1H-15N HSQC' . . . 18161 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -28.422 . . 5.000 . . . . 5 LEU H . 5 LEU N 18161 2 2 DNH . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . -13.633 . . 5.000 . . . . 6 LEU H . 6 LEU N 18161 2 3 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -2.036 . . 5.000 . . . . 8 ILE H . 8 ILE N 18161 2 4 DNH . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER N N 15 . 5.766 . . 5.000 . . . . 9 SER H . 9 SER N 18161 2 5 DNH . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . 8.085 . . 5.000 . . . . 11 ASP H . 11 ASP N 18161 2 6 DNH . 1 1 15 15 ILE H H 1 . . 1 1 15 15 ILE N N 15 . -11.876 . . 5.000 . . . . 15 ILE H . 15 ILE N 18161 2 7 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . -16.258 . . 5.000 . . . . 17 SER H . 17 SER N 18161 2 8 DNH . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . -16.781 . . 5.000 . . . . 18 VAL H . 18 VAL N 18161 2 9 DNH . 1 1 21 21 ARG H H 1 . . 1 1 21 21 ARG N N 15 . -19.320 . . 5.000 . . . . 21 ARG H . 21 ARG N 18161 2 10 DNH . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . -11.244 . . 5.000 . . . . 22 ALA H . 22 ALA N 18161 2 11 DNH . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS N N 15 . 2.276 . . 5.000 . . . . 23 LYS H . 23 LYS N 18161 2 12 DNH . 1 1 24 24 HIS H H 1 . . 1 1 24 24 HIS N N 15 . -6.226 . . 5.000 . . . . 24 HIS H . 24 HIS N 18161 2 13 DNH . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE N N 15 . 6.014 . . 5.000 . . . . 31 ILE H . 31 ILE N 18161 2 14 DNH . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG N N 15 . -14.368 . . 5.000 . . . . 32 ARG H . 32 ARG N 18161 2 15 DNH . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR N N 15 . -8.575 . . 5.000 . . . . 33 THR H . 33 THR N 18161 2 16 DNH . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . 9.285 . . 5.000 . . . . 34 ALA H . 34 ALA N 18161 2 17 DNH . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER N N 15 . -1.313 . . 5.000 . . . . 37 SER H . 37 SER N 18161 2 18 DNH . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP N N 15 . 13.459 . . 5.000 . . . . 39 ASP H . 39 ASP N 18161 2 19 DNH . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . 1.981 . . 5.000 . . . . 40 ILE H . 40 ILE N 18161 2 20 DNH . 1 1 43 43 ILE H H 1 . . 1 1 43 43 ILE N N 15 . 0.977 . . 5.000 . . . . 43 ILE H . 43 ILE N 18161 2 21 DNH . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER N N 15 . 17.298 . . 5.000 . . . . 46 SER H . 46 SER N 18161 2 22 DNH . 1 1 47 47 MET H H 1 . . 1 1 47 47 MET N N 15 . -3.113 . . 5.000 . . . . 47 MET H . 47 MET N 18161 2 23 DNH . 1 1 55 55 VAL H H 1 . . 1 1 55 55 VAL N N 15 . -3.793 . . 5.000 . . . . 55 VAL H . 55 VAL N 18161 2 24 DNH . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . -12.729 . . 5.000 . . . . 56 VAL H . 56 VAL N 18161 2 25 DNH . 1 1 57 57 PHE H H 1 . . 1 1 57 57 PHE N N 15 . -17.092 . . 5.000 . . . . 57 PHE H . 57 PHE N 18161 2 26 DNH . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . 13.481 . . 5.000 . . . . 59 ASN H . 59 ASN N 18161 2 27 DNH . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . -3.079 . . 5.000 . . . . 60 GLY H . 60 GLY N 18161 2 28 DNH . 1 1 61 61 ALA H H 1 . . 1 1 61 61 ALA N N 15 . -10.987 . . 5.000 . . . . 61 ALA H . 61 ALA N 18161 2 29 DNH . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER N N 15 . 9.439 . . 5.000 . . . . 62 SER H . 62 SER N 18161 2 30 DNH . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 24.086 . . 5.000 . . . . 65 ASP H . 65 ASP N 18161 2 31 DNH . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL N N 15 . 13.186 . . 5.000 . . . . 66 VAL H . 66 VAL N 18161 2 32 DNH . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . 9.317 . . 5.000 . . . . 67 ASN H . 67 ASN N 18161 2 33 DNH . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 18.693 . . 5.000 . . . . 70 GLN H . 70 GLN N 18161 2 34 DNH . 1 1 71 71 ASN H H 1 . . 1 1 71 71 ASN N N 15 . 14.410 . . 5.000 . . . . 71 ASN H . 71 ASN N 18161 2 35 DNH . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU N N 15 . 9.624 . . 5.000 . . . . 72 GLU H . 72 GLU N 18161 2 36 DNH . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . 20.634 . . 5.000 . . . . 73 ALA H . 73 ALA N 18161 2 37 DNH . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS N N 15 . 14.040 . . 5.000 . . . . 74 LYS H . 74 LYS N 18161 2 38 DNH . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS N N 15 . 8.565 . . 5.000 . . . . 75 LYS H . 75 LYS N 18161 2 39 DNH . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY N N 15 . -13.012 . . 5.000 . . . . 77 GLY H . 77 GLY N 18161 2 40 DNH . 1 1 79 79 SER H H 1 . . 1 1 79 79 SER N N 15 . -14.861 . . 5.000 . . . . 79 SER H . 79 SER N 18161 2 41 DNH . 1 1 81 81 ASP H H 1 . . 1 1 81 81 ASP N N 15 . -23.081 . . 5.000 . . . . 81 ASP H . 81 ASP N 18161 2 42 DNH . 1 1 83 83 LEU H H 1 . . 1 1 83 83 LEU N N 15 . -3.796 . . 5.000 . . . . 83 LEU H . 83 LEU N 18161 2 43 DNH . 1 1 84 84 LYS H H 1 . . 1 1 84 84 LYS N N 15 . -3.883 . . 5.000 . . . . 84 LYS H . 84 LYS N 18161 2 44 DNH . 1 1 85 85 SER H H 1 . . 1 1 85 85 SER N N 15 . -1.250 . . 5.000 . . . . 85 SER H . 85 SER N 18161 2 45 DNH . 1 1 86 86 THR H H 1 . . 1 1 86 86 THR N N 15 . -8.297 . . 5.000 . . . . 86 THR H . 86 THR N 18161 2 46 DNH . 1 1 87 87 ASP H H 1 . . 1 1 87 87 ASP N N 15 . 12.067 . . 5.000 . . . . 87 ASP H . 87 ASP N 18161 2 47 DNH . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . -3.852 . . 5.000 . . . . 89 GLU H . 89 GLU N 18161 2 48 DNH . 1 1 90 90 GLU H H 1 . . 1 1 90 90 GLU N N 15 . 7.477 . . 5.000 . . . . 90 GLU H . 90 GLU N 18161 2 49 DNH . 1 1 91 91 LEU H H 1 . . 1 1 91 91 LEU N N 15 . 21.593 . . 5.000 . . . . 91 LEU H . 91 LEU N 18161 2 50 DNH . 1 1 92 92 THR H H 1 . . 1 1 92 92 THR N N 15 . 22.178 . . 5.000 . . . . 92 THR H . 92 THR N 18161 2 51 DNH . 1 1 94 94 ARG H H 1 . . 1 1 94 94 ARG N N 15 . 11.407 . . 5.000 . . . . 94 ARG H . 94 ARG N 18161 2 52 DNH . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . 8.880 . . 5.000 . . . . 97 GLU H . 97 GLU N 18161 2 53 DNH . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . 9.317 . . 5.000 . . . . 98 PHE H . 98 PHE N 18161 2 54 DNH . 1 1 100 100 LYS H H 1 . . 1 1 100 100 LYS N N 15 . 3.626 . . 5.000 . . . . 100 LYS H . 100 LYS N 18161 2 55 DNH . 1 1 101 101 THR H H 1 . . 1 1 101 101 THR N N 15 . -0.191 . . 5.000 . . . . 101 THR H . 101 THR N 18161 2 56 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . 16.167 . . 5.000 . . . . 102 ALA H . 102 ALA N 18161 2 57 DNH . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY N N 15 . 8.262 . . 5.000 . . . . 103 GLY H . 103 GLY N 18161 2 58 DNH . 1 1 105 105 LEU H H 1 . . 1 1 105 105 LEU N N 15 . -1.939 . . 5.000 . . . . 105 LEU H . 105 LEU N 18161 2 59 DNH . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . -1.560 . . 5.000 . . . . 107 HIS H . 107 HIS N 18161 2 stop_ save_