data_17318 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17318 _Entry.Title ; NMR solution structure of the protein YP_001092504.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-23 _Entry.Accession_date 2010-11-23 _Entry.Last_release_date 2010-12-16 _Entry.Original_release_date 2010-12-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Biswaranjan Mohanty . . . 17318 2 Pedro Serrano . . . 17318 3 Michael Geralt . . . 17318 4 Reto Horst . . . 17318 5 Kurt Wuthrich . . . 17318 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 . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17318 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DUF971 . 17318 PJ06155C . 17318 'SHEWANELLA SP. PV-4' . 17318 YP_001092504.1 . 17318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 17318 '15N chemical shifts' 140 17318 '1H chemical shifts' 933 17318 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 . . 2010-12-16 2010-11-23 original author . 17318 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6N 'BMRB Entry Tracking System' 17318 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17318 _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 'NMR solution structure of the protein YP_001092504.1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Biswaranjan Mohanty . . . 17318 1 2 Pedro Serrano . . . 17318 1 3 Michael Geralt . . . 17318 1 4 Reto Horst . . . 17318 1 5 Kurt Wuthrich . . . 17318 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DUF971 17318 1 PJ06155C 17318 1 'SHEWANELLA SP. PV-4' 17318 1 YP_001092504.1 17318 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17318 _Assembly.ID 1 _Assembly.Name YP_001092504.1 _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 YP_001092504.1 1 $YP_001092504.1 A . yes native no no . . . 17318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_001092504.1 _Entity.Sf_category entity _Entity.Sf_framecode YP_001092504.1 _Entity.Entry_ID 17318 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YP_001092504.1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMTPQSDTPKVTGLKLKRKS RQLEISFDNGQQFTLSCELL RVYSPSAEVHGHGNPVLVTH KKNVNINAITPVGNYAVKLV FDDGHDTGLYSWKVLYDLAS NQVDLWENYLARLRAAKASR EPLIDMAVKYHT ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14833.001 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6N . "Nmr Solution Structure Of The Protein Yp_001092504.1" . . . . . 100.00 132 100.00 100.00 1.25e-92 . . . . 17318 1 2 no GB ABO22245 . "protein of unknown function DUF971 [Shewanella loihica PV-4]" . . . . . 99.24 131 100.00 100.00 8.56e-92 . . . . 17318 1 3 no GB KIO35783 . "hypothetical protein DB48_13890 [Shewanella sp. cp20]" . . . . . 99.24 131 96.95 100.00 5.49e-90 . . . . 17318 1 4 no REF WP_011864179 . "hypothetical protein [Shewanella loihica]" . . . . . 99.24 131 100.00 100.00 8.56e-92 . . . . 17318 1 5 no REF WP_041510794 . "hypothetical protein [Shewanella sp. cp20]" . . . . . 99.24 131 96.95 100.00 5.49e-90 . . . . 17318 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function' 17318 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17318 1 2 . MET . 17318 1 3 . THR . 17318 1 4 . PRO . 17318 1 5 . GLN . 17318 1 6 . SER . 17318 1 7 . ASP . 17318 1 8 . THR . 17318 1 9 . PRO . 17318 1 10 . LYS . 17318 1 11 . VAL . 17318 1 12 . THR . 17318 1 13 . GLY . 17318 1 14 . LEU . 17318 1 15 . LYS . 17318 1 16 . LEU . 17318 1 17 . LYS . 17318 1 18 . ARG . 17318 1 19 . LYS . 17318 1 20 . SER . 17318 1 21 . ARG . 17318 1 22 . GLN . 17318 1 23 . LEU . 17318 1 24 . GLU . 17318 1 25 . ILE . 17318 1 26 . SER . 17318 1 27 . PHE . 17318 1 28 . ASP . 17318 1 29 . ASN . 17318 1 30 . GLY . 17318 1 31 . GLN . 17318 1 32 . GLN . 17318 1 33 . PHE . 17318 1 34 . THR . 17318 1 35 . LEU . 17318 1 36 . SER . 17318 1 37 . CYS . 17318 1 38 . GLU . 17318 1 39 . LEU . 17318 1 40 . LEU . 17318 1 41 . ARG . 17318 1 42 . VAL . 17318 1 43 . TYR . 17318 1 44 . SER . 17318 1 45 . PRO . 17318 1 46 . SER . 17318 1 47 . ALA . 17318 1 48 . GLU . 17318 1 49 . VAL . 17318 1 50 . HIS . 17318 1 51 . GLY . 17318 1 52 . HIS . 17318 1 53 . GLY . 17318 1 54 . ASN . 17318 1 55 . PRO . 17318 1 56 . VAL . 17318 1 57 . LEU . 17318 1 58 . VAL . 17318 1 59 . THR . 17318 1 60 . HIS . 17318 1 61 . LYS . 17318 1 62 . LYS . 17318 1 63 . ASN . 17318 1 64 . VAL . 17318 1 65 . ASN . 17318 1 66 . ILE . 17318 1 67 . ASN . 17318 1 68 . ALA . 17318 1 69 . ILE . 17318 1 70 . THR . 17318 1 71 . PRO . 17318 1 72 . VAL . 17318 1 73 . GLY . 17318 1 74 . ASN . 17318 1 75 . TYR . 17318 1 76 . ALA . 17318 1 77 . VAL . 17318 1 78 . LYS . 17318 1 79 . LEU . 17318 1 80 . VAL . 17318 1 81 . PHE . 17318 1 82 . ASP . 17318 1 83 . ASP . 17318 1 84 . GLY . 17318 1 85 . HIS . 17318 1 86 . ASP . 17318 1 87 . THR . 17318 1 88 . GLY . 17318 1 89 . LEU . 17318 1 90 . TYR . 17318 1 91 . SER . 17318 1 92 . TRP . 17318 1 93 . LYS . 17318 1 94 . VAL . 17318 1 95 . LEU . 17318 1 96 . TYR . 17318 1 97 . ASP . 17318 1 98 . LEU . 17318 1 99 . ALA . 17318 1 100 . SER . 17318 1 101 . ASN . 17318 1 102 . GLN . 17318 1 103 . VAL . 17318 1 104 . ASP . 17318 1 105 . LEU . 17318 1 106 . TRP . 17318 1 107 . GLU . 17318 1 108 . ASN . 17318 1 109 . TYR . 17318 1 110 . LEU . 17318 1 111 . ALA . 17318 1 112 . ARG . 17318 1 113 . LEU . 17318 1 114 . ARG . 17318 1 115 . ALA . 17318 1 116 . ALA . 17318 1 117 . LYS . 17318 1 118 . ALA . 17318 1 119 . SER . 17318 1 120 . ARG . 17318 1 121 . GLU . 17318 1 122 . PRO . 17318 1 123 . LEU . 17318 1 124 . ILE . 17318 1 125 . ASP . 17318 1 126 . MET . 17318 1 127 . ALA . 17318 1 128 . VAL . 17318 1 129 . LYS . 17318 1 130 . TYR . 17318 1 131 . HIS . 17318 1 132 . THR . 17318 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17318 1 . MET 2 2 17318 1 . THR 3 3 17318 1 . PRO 4 4 17318 1 . GLN 5 5 17318 1 . SER 6 6 17318 1 . ASP 7 7 17318 1 . THR 8 8 17318 1 . PRO 9 9 17318 1 . LYS 10 10 17318 1 . VAL 11 11 17318 1 . THR 12 12 17318 1 . GLY 13 13 17318 1 . LEU 14 14 17318 1 . LYS 15 15 17318 1 . LEU 16 16 17318 1 . LYS 17 17 17318 1 . ARG 18 18 17318 1 . LYS 19 19 17318 1 . SER 20 20 17318 1 . ARG 21 21 17318 1 . GLN 22 22 17318 1 . LEU 23 23 17318 1 . GLU 24 24 17318 1 . ILE 25 25 17318 1 . SER 26 26 17318 1 . PHE 27 27 17318 1 . ASP 28 28 17318 1 . ASN 29 29 17318 1 . GLY 30 30 17318 1 . GLN 31 31 17318 1 . GLN 32 32 17318 1 . PHE 33 33 17318 1 . THR 34 34 17318 1 . LEU 35 35 17318 1 . SER 36 36 17318 1 . CYS 37 37 17318 1 . GLU 38 38 17318 1 . LEU 39 39 17318 1 . LEU 40 40 17318 1 . ARG 41 41 17318 1 . VAL 42 42 17318 1 . TYR 43 43 17318 1 . SER 44 44 17318 1 . PRO 45 45 17318 1 . SER 46 46 17318 1 . ALA 47 47 17318 1 . GLU 48 48 17318 1 . VAL 49 49 17318 1 . HIS 50 50 17318 1 . GLY 51 51 17318 1 . HIS 52 52 17318 1 . GLY 53 53 17318 1 . ASN 54 54 17318 1 . PRO 55 55 17318 1 . VAL 56 56 17318 1 . LEU 57 57 17318 1 . VAL 58 58 17318 1 . THR 59 59 17318 1 . HIS 60 60 17318 1 . LYS 61 61 17318 1 . LYS 62 62 17318 1 . ASN 63 63 17318 1 . VAL 64 64 17318 1 . ASN 65 65 17318 1 . ILE 66 66 17318 1 . ASN 67 67 17318 1 . ALA 68 68 17318 1 . ILE 69 69 17318 1 . THR 70 70 17318 1 . PRO 71 71 17318 1 . VAL 72 72 17318 1 . GLY 73 73 17318 1 . ASN 74 74 17318 1 . TYR 75 75 17318 1 . ALA 76 76 17318 1 . VAL 77 77 17318 1 . LYS 78 78 17318 1 . LEU 79 79 17318 1 . VAL 80 80 17318 1 . PHE 81 81 17318 1 . ASP 82 82 17318 1 . ASP 83 83 17318 1 . GLY 84 84 17318 1 . HIS 85 85 17318 1 . ASP 86 86 17318 1 . THR 87 87 17318 1 . GLY 88 88 17318 1 . LEU 89 89 17318 1 . TYR 90 90 17318 1 . SER 91 91 17318 1 . TRP 92 92 17318 1 . LYS 93 93 17318 1 . VAL 94 94 17318 1 . LEU 95 95 17318 1 . TYR 96 96 17318 1 . ASP 97 97 17318 1 . LEU 98 98 17318 1 . ALA 99 99 17318 1 . SER 100 100 17318 1 . ASN 101 101 17318 1 . GLN 102 102 17318 1 . VAL 103 103 17318 1 . ASP 104 104 17318 1 . LEU 105 105 17318 1 . TRP 106 106 17318 1 . GLU 107 107 17318 1 . ASN 108 108 17318 1 . TYR 109 109 17318 1 . LEU 110 110 17318 1 . ALA 111 111 17318 1 . ARG 112 112 17318 1 . LEU 113 113 17318 1 . ARG 114 114 17318 1 . ALA 115 115 17318 1 . ALA 116 116 17318 1 . LYS 117 117 17318 1 . ALA 118 118 17318 1 . SER 119 119 17318 1 . ARG 120 120 17318 1 . GLU 121 121 17318 1 . PRO 122 122 17318 1 . LEU 123 123 17318 1 . ILE 124 124 17318 1 . ASP 125 125 17318 1 . MET 126 126 17318 1 . ALA 127 127 17318 1 . VAL 128 128 17318 1 . LYS 129 129 17318 1 . TYR 130 130 17318 1 . HIS 131 131 17318 1 . THR 132 132 17318 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 17318 _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 $YP_001092504.1 . 323850 organism . 'Shewanella loihica PV-4' 'Shewanella loihica PV-4' . . Bacteria . Shewanella loihica . . . . . . . . . . . . . . . . YP_001092504.1 . . . . 17318 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 17318 _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 $YP_001092504.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pSpeedET . . . . . . 17318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17318 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2mM [U-98% 13C; U-98% 15N] Protein-YP_001092504.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20' _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 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17318 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17318 1 3 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17318 1 4 Protein-YP_001092504.1 '[U-98% 13C; U-98% 15N]' . . 1 $YP_001092504.1 . . 1.2 . . mM . . . . 17318 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17318 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17318 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17318 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.2mM [U-98% 13C; U-98% 15N] Protein-YP_001092504.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 . M 17318 1 pH 6.0 . pH 17318 1 pressure 1 . atm 17318 1 temperature 298 . K 17318 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17318 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details 'structure calculation using torsional angle dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17318 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 17318 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17318 _Software.ID 2 _Software.Name UNIO _Software.Version 2.0.1 _Software.Details 'Automated backbone assignment using high dimensional APSY peak list, Peak picking, Automated side-chain assignments, NOE assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 17318 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17318 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17318 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details ; Energy refinement in the water shell using the AMBER force field ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17318 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy refinement' 17318 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17318 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details 'chemical shift assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17318 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17318 4 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 17318 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Acquisition and Processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17318 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Acquisition 17318 5 'data analysis' 17318 5 processing 17318 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17318 _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 17318 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17318 _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 . . . 17318 1 2 spectrometer_2 Bruker Avance . 600 . . . 17318 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 17318 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17318 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17318 1 3 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17318 1 4 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17318 1 5 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17318 1 6 '15N resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17318 1 7 '13Cali resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17318 1 8 '13Caro resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17318 1 9 '15 N {1H} - NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17318 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 17318 _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 . . . . . . . . . 17318 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17318 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17318 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 17318 _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 0.024 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.11 _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 3 '4D APSY-HACANH' . . . 17318 1 4 '5D APSY-HACACONH' . . . 17318 1 5 '5D APSY-CBCACONH' . . . 17318 1 6 '15N resolved [1H,1H]-NOESY' . . . 17318 1 7 '13Cali resolved [1H,1H]-NOESY' . . . 17318 1 8 '13Caro resolved [1H,1H]-NOESY' . . . 17318 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 17318 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 MET HA H 1 4.555 0.024 . 1 . . . . 2 MET HA . 17318 1 2 . 1 1 2 2 MET HB2 H 1 2.000 0.024 . 2 . . . . 2 MET HB2 . 17318 1 3 . 1 1 2 2 MET HB3 H 1 2.084 0.024 . 2 . . . . 2 MET HB3 . 17318 1 4 . 1 1 2 2 MET HG2 H 1 2.044 0.024 . 2 . . . . 2 MET QG . 17318 1 5 . 1 1 2 2 MET HG3 H 1 2.044 0.024 . 2 . . . . 2 MET QG . 17318 1 6 . 1 1 2 2 MET CA C 13 55.319 0.15 . 1 . . . . 2 MET CA . 17318 1 7 . 1 1 2 2 MET CB C 13 33.066 0.15 . 1 . . . . 2 MET CB . 17318 1 8 . 1 1 2 2 MET CG C 13 32.471 0.15 . 1 . . . . 2 MET CG . 17318 1 9 . 1 1 3 3 THR H H 1 8.393 0.024 . 1 . . . . 3 THR H . 17318 1 10 . 1 1 3 3 THR HA H 1 4.620 0.024 . 1 . . . . 3 THR HA . 17318 1 11 . 1 1 3 3 THR HB H 1 4.164 0.024 . 1 . . . . 3 THR HB . 17318 1 12 . 1 1 3 3 THR HG21 H 1 1.254 0.024 . 1 . . . . 3 THR QG2 . 17318 1 13 . 1 1 3 3 THR HG22 H 1 1.254 0.024 . 1 . . . . 3 THR QG2 . 17318 1 14 . 1 1 3 3 THR HG23 H 1 1.254 0.024 . 1 . . . . 3 THR QG2 . 17318 1 15 . 1 1 3 3 THR CA C 13 59.736 0.15 . 1 . . . . 3 THR CA . 17318 1 16 . 1 1 3 3 THR CB C 13 69.438 0.15 . 1 . . . . 3 THR CB . 17318 1 17 . 1 1 3 3 THR CG2 C 13 21.423 0.15 . 1 . . . . 3 THR CG2 . 17318 1 18 . 1 1 3 3 THR N N 15 118.252 0.11 . 1 . . . . 3 THR N . 17318 1 19 . 1 1 4 4 PRO HA H 1 4.414 0.024 . 1 . . . . 4 PRO HA . 17318 1 20 . 1 1 4 4 PRO HB2 H 1 2.310 0.024 . 2 . . . . 4 PRO HB2 . 17318 1 21 . 1 1 4 4 PRO HB3 H 1 1.910 0.024 . 2 . . . . 4 PRO HB3 . 17318 1 22 . 1 1 4 4 PRO HG2 H 1 2.059 0.024 . 2 . . . . 4 PRO HG2 . 17318 1 23 . 1 1 4 4 PRO HG3 H 1 1.976 0.024 . 2 . . . . 4 PRO HG3 . 17318 1 24 . 1 1 4 4 PRO HD2 H 1 3.880 0.024 . 2 . . . . 4 PRO HD2 . 17318 1 25 . 1 1 4 4 PRO HD3 H 1 3.718 0.024 . 2 . . . . 4 PRO HD3 . 17318 1 26 . 1 1 4 4 PRO C C 13 176.643 0.15 . 1 . . . . 4 PRO C . 17318 1 27 . 1 1 4 4 PRO CA C 13 63.087 0.15 . 1 . . . . 4 PRO CA . 17318 1 28 . 1 1 4 4 PRO CB C 13 31.939 0.15 . 1 . . . . 4 PRO CB . 17318 1 29 . 1 1 4 4 PRO CG C 13 27.405 0.15 . 1 . . . . 4 PRO CG . 17318 1 30 . 1 1 4 4 PRO CD C 13 50.970 0.15 . 1 . . . . 4 PRO CD . 17318 1 31 . 1 1 5 5 GLN H H 1 8.545 0.024 . 1 . . . . 5 GLN H . 17318 1 32 . 1 1 5 5 GLN HA H 1 4.341 0.024 . 1 . . . . 5 GLN HA . 17318 1 33 . 1 1 5 5 GLN HB2 H 1 2.010 0.024 . 2 . . . . 5 GLN HB2 . 17318 1 34 . 1 1 5 5 GLN HB3 H 1 2.127 0.024 . 2 . . . . 5 GLN HB3 . 17318 1 35 . 1 1 5 5 GLN HG2 H 1 2.401 0.024 . 2 . . . . 5 GLN QG . 17318 1 36 . 1 1 5 5 GLN HG3 H 1 2.401 0.024 . 2 . . . . 5 GLN QG . 17318 1 37 . 1 1 5 5 GLN HE21 H 1 6.870 0.024 . 2 . . . . 5 GLN HE21 . 17318 1 38 . 1 1 5 5 GLN HE22 H 1 7.592 0.024 . 2 . . . . 5 GLN HE22 . 17318 1 39 . 1 1 5 5 GLN C C 13 175.859 0.15 . 1 . . . . 5 GLN C . 17318 1 40 . 1 1 5 5 GLN CA C 13 55.646 0.15 . 1 . . . . 5 GLN CA . 17318 1 41 . 1 1 5 5 GLN CB C 13 29.375 0.15 . 1 . . . . 5 GLN CB . 17318 1 42 . 1 1 5 5 GLN CG C 13 33.707 0.15 . 1 . . . . 5 GLN CG . 17318 1 43 . 1 1 5 5 GLN N N 15 120.523 0.11 . 1 . . . . 5 GLN N . 17318 1 44 . 1 1 5 5 GLN NE2 N 15 112.410 0.11 . 1 . . . . 5 GLN NE2 . 17318 1 45 . 1 1 6 6 SER H H 1 8.377 0.024 . 1 . . . . 6 SER H . 17318 1 46 . 1 1 6 6 SER HA H 1 4.459 0.024 . 1 . . . . 6 SER HA . 17318 1 47 . 1 1 6 6 SER HB2 H 1 3.889 0.024 . 2 . . . . 6 SER HB2 . 17318 1 48 . 1 1 6 6 SER HB3 H 1 3.850 0.024 . 2 . . . . 6 SER HB3 . 17318 1 49 . 1 1 6 6 SER C C 13 173.895 0.15 . 1 . . . . 6 SER C . 17318 1 50 . 1 1 6 6 SER CA C 13 58.128 0.15 . 1 . . . . 6 SER CA . 17318 1 51 . 1 1 6 6 SER CB C 13 63.664 0.15 . 1 . . . . 6 SER CB . 17318 1 52 . 1 1 6 6 SER N N 15 116.723 0.11 . 1 . . . . 6 SER N . 17318 1 53 . 1 1 7 7 ASP H H 1 8.399 0.024 . 1 . . . . 7 ASP H . 17318 1 54 . 1 1 7 7 ASP HA H 1 4.681 0.024 . 1 . . . . 7 ASP HA . 17318 1 55 . 1 1 7 7 ASP HB2 H 1 2.630 0.024 . 2 . . . . 7 ASP HB2 . 17318 1 56 . 1 1 7 7 ASP HB3 H 1 2.662 0.024 . 2 . . . . 7 ASP HB3 . 17318 1 57 . 1 1 7 7 ASP C C 13 175.571 0.15 . 1 . . . . 7 ASP C . 17318 1 58 . 1 1 7 7 ASP CA C 13 53.901 0.15 . 1 . . . . 7 ASP CA . 17318 1 59 . 1 1 7 7 ASP CB C 13 41.149 0.15 . 1 . . . . 7 ASP CB . 17318 1 60 . 1 1 7 7 ASP N N 15 122.180 0.11 . 1 . . . . 7 ASP N . 17318 1 61 . 1 1 8 8 THR H H 1 8.049 0.024 . 1 . . . . 8 THR H . 17318 1 62 . 1 1 8 8 THR HA H 1 4.359 0.024 . 1 . . . . 8 THR HA . 17318 1 63 . 1 1 8 8 THR HB H 1 4.000 0.024 . 1 . . . . 8 THR HB . 17318 1 64 . 1 1 8 8 THR HG21 H 1 1.273 0.024 . 1 . . . . 8 THR QG2 . 17318 1 65 . 1 1 8 8 THR HG22 H 1 1.273 0.024 . 1 . . . . 8 THR QG2 . 17318 1 66 . 1 1 8 8 THR HG23 H 1 1.273 0.024 . 1 . . . . 8 THR QG2 . 17318 1 67 . 1 1 8 8 THR CA C 13 59.745 0.15 . 1 . . . . 8 THR CA . 17318 1 68 . 1 1 8 8 THR CB C 13 69.630 0.15 . 1 . . . . 8 THR CB . 17318 1 69 . 1 1 8 8 THR CG2 C 13 21.385 0.15 . 1 . . . . 8 THR CG2 . 17318 1 70 . 1 1 8 8 THR N N 15 115.942 0.11 . 1 . . . . 8 THR N . 17318 1 71 . 1 1 9 9 PRO HA H 1 4.474 0.024 . 1 . . . . 9 PRO HA . 17318 1 72 . 1 1 9 9 PRO HB2 H 1 2.036 0.024 . 2 . . . . 9 PRO HB2 . 17318 1 73 . 1 1 9 9 PRO HB3 H 1 1.628 0.024 . 2 . . . . 9 PRO HB3 . 17318 1 74 . 1 1 9 9 PRO HG2 H 1 1.276 0.024 . 2 . . . . 9 PRO HG2 . 17318 1 75 . 1 1 9 9 PRO HG3 H 1 0.986 0.024 . 2 . . . . 9 PRO HG3 . 17318 1 76 . 1 1 9 9 PRO HD2 H 1 3.284 0.024 . 2 . . . . 9 PRO HD2 . 17318 1 77 . 1 1 9 9 PRO HD3 H 1 2.461 0.024 . 2 . . . . 9 PRO HD3 . 17318 1 78 . 1 1 9 9 PRO CA C 13 62.892 0.15 . 1 . . . . 9 PRO CA . 17318 1 79 . 1 1 9 9 PRO CB C 13 32.674 0.15 . 1 . . . . 9 PRO CB . 17318 1 80 . 1 1 9 9 PRO CG C 13 27.141 0.15 . 1 . . . . 9 PRO CG . 17318 1 81 . 1 1 9 9 PRO CD C 13 50.306 0.15 . 1 . . . . 9 PRO CD . 17318 1 82 . 1 1 10 10 LYS H H 1 8.296 0.024 . 1 . . . . 10 LYS H . 17318 1 83 . 1 1 10 10 LYS HA H 1 4.463 0.024 . 1 . . . . 10 LYS HA . 17318 1 84 . 1 1 10 10 LYS HB2 H 1 1.687 0.024 . 2 . . . . 10 LYS HB2 . 17318 1 85 . 1 1 10 10 LYS HB3 H 1 1.627 0.024 . 2 . . . . 10 LYS HB3 . 17318 1 86 . 1 1 10 10 LYS HG2 H 1 1.691 0.024 . 2 . . . . 10 LYS HG2 . 17318 1 87 . 1 1 10 10 LYS HG3 H 1 1.569 0.024 . 2 . . . . 10 LYS HG3 . 17318 1 88 . 1 1 10 10 LYS HD2 H 1 1.881 0.024 . 2 . . . . 10 LYS HD2 . 17318 1 89 . 1 1 10 10 LYS HD3 H 1 1.790 0.024 . 2 . . . . 10 LYS HD3 . 17318 1 90 . 1 1 10 10 LYS HE2 H 1 3.132 0.024 . 2 . . . . 10 LYS QE . 17318 1 91 . 1 1 10 10 LYS HE3 H 1 3.132 0.024 . 2 . . . . 10 LYS QE . 17318 1 92 . 1 1 10 10 LYS CA C 13 54.636 0.15 . 1 . . . . 10 LYS CA . 17318 1 93 . 1 1 10 10 LYS CB C 13 34.112 0.15 . 1 . . . . 10 LYS CB . 17318 1 94 . 1 1 10 10 LYS CG C 13 25.160 0.15 . 1 . . . . 10 LYS CG . 17318 1 95 . 1 1 10 10 LYS CD C 13 29.169 0.15 . 1 . . . . 10 LYS CD . 17318 1 96 . 1 1 10 10 LYS CE C 13 42.215 0.15 . 1 . . . . 10 LYS CE . 17318 1 97 . 1 1 10 10 LYS N N 15 118.566 0.11 . 1 . . . . 10 LYS N . 17318 1 98 . 1 1 11 11 VAL HA H 1 3.432 0.024 . 1 . . . . 11 VAL HA . 17318 1 99 . 1 1 11 11 VAL HB H 1 -0.809 0.024 . 1 . . . . 11 VAL HB . 17318 1 100 . 1 1 11 11 VAL HG11 H 1 0.250 0.024 . 2 . . . . 11 VAL QG1 . 17318 1 101 . 1 1 11 11 VAL HG12 H 1 0.250 0.024 . 2 . . . . 11 VAL QG1 . 17318 1 102 . 1 1 11 11 VAL HG13 H 1 0.250 0.024 . 2 . . . . 11 VAL QG1 . 17318 1 103 . 1 1 11 11 VAL HG21 H 1 0.143 0.024 . 2 . . . . 11 VAL QG2 . 17318 1 104 . 1 1 11 11 VAL HG22 H 1 0.143 0.024 . 2 . . . . 11 VAL QG2 . 17318 1 105 . 1 1 11 11 VAL HG23 H 1 0.143 0.024 . 2 . . . . 11 VAL QG2 . 17318 1 106 . 1 1 11 11 VAL C C 13 175.874 0.15 . 1 . . . . 11 VAL C . 17318 1 107 . 1 1 11 11 VAL CA C 13 61.926 0.15 . 1 . . . . 11 VAL CA . 17318 1 108 . 1 1 11 11 VAL CB C 13 31.230 0.15 . 1 . . . . 11 VAL CB . 17318 1 109 . 1 1 11 11 VAL CG1 C 13 24.941 0.15 . 2 . . . . 11 VAL CG1 . 17318 1 110 . 1 1 11 11 VAL CG2 C 13 21.114 0.15 . 2 . . . . 11 VAL CG2 . 17318 1 111 . 1 1 12 12 THR H H 1 8.681 0.024 . 1 . . . . 12 THR H . 17318 1 112 . 1 1 12 12 THR HA H 1 4.209 0.024 . 1 . . . . 12 THR HA . 17318 1 113 . 1 1 12 12 THR HB H 1 4.156 0.024 . 1 . . . . 12 THR HB . 17318 1 114 . 1 1 12 12 THR HG21 H 1 0.960 0.024 . 1 . . . . 12 THR QG2 . 17318 1 115 . 1 1 12 12 THR HG22 H 1 0.960 0.024 . 1 . . . . 12 THR QG2 . 17318 1 116 . 1 1 12 12 THR HG23 H 1 0.960 0.024 . 1 . . . . 12 THR QG2 . 17318 1 117 . 1 1 12 12 THR C C 13 174.755 0.15 . 1 . . . . 12 THR C . 17318 1 118 . 1 1 12 12 THR CA C 13 60.562 0.15 . 1 . . . . 12 THR CA . 17318 1 119 . 1 1 12 12 THR CB C 13 68.614 0.15 . 1 . . . . 12 THR CB . 17318 1 120 . 1 1 12 12 THR CG2 C 13 22.372 0.15 . 1 . . . . 12 THR CG2 . 17318 1 121 . 1 1 12 12 THR N N 15 117.732 0.11 . 1 . . . . 12 THR N . 17318 1 122 . 1 1 13 13 GLY H H 1 7.061 0.024 . 1 . . . . 13 GLY H . 17318 1 123 . 1 1 13 13 GLY HA2 H 1 3.676 0.024 . 2 . . . . 13 GLY HA2 . 17318 1 124 . 1 1 13 13 GLY HA3 H 1 4.106 0.024 . 2 . . . . 13 GLY HA3 . 17318 1 125 . 1 1 13 13 GLY C C 13 170.322 0.15 . 1 . . . . 13 GLY C . 17318 1 126 . 1 1 13 13 GLY CA C 13 45.898 0.15 . 1 . . . . 13 GLY CA . 17318 1 127 . 1 1 13 13 GLY N N 15 110.565 0.11 . 1 . . . . 13 GLY N . 17318 1 128 . 1 1 14 14 LEU H H 1 8.091 0.024 . 1 . . . . 14 LEU H . 17318 1 129 . 1 1 14 14 LEU HA H 1 5.005 0.024 . 1 . . . . 14 LEU HA . 17318 1 130 . 1 1 14 14 LEU HB2 H 1 1.158 0.024 . 2 . . . . 14 LEU HB2 . 17318 1 131 . 1 1 14 14 LEU HB3 H 1 1.592 0.024 . 2 . . . . 14 LEU HB3 . 17318 1 132 . 1 1 14 14 LEU HG H 1 1.350 0.024 . 1 . . . . 14 LEU HG . 17318 1 133 . 1 1 14 14 LEU HD11 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 134 . 1 1 14 14 LEU HD12 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 135 . 1 1 14 14 LEU HD13 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 136 . 1 1 14 14 LEU HD21 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 137 . 1 1 14 14 LEU HD22 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 138 . 1 1 14 14 LEU HD23 H 1 0.783 0.024 . 2 . . . . 14 LEU QQD . 17318 1 139 . 1 1 14 14 LEU C C 13 175.090 0.15 . 1 . . . . 14 LEU C . 17318 1 140 . 1 1 14 14 LEU CA C 13 53.728 0.15 . 1 . . . . 14 LEU CA . 17318 1 141 . 1 1 14 14 LEU CB C 13 45.638 0.15 . 1 . . . . 14 LEU CB . 17318 1 142 . 1 1 14 14 LEU CG C 13 26.332 0.15 . 1 . . . . 14 LEU CG . 17318 1 143 . 1 1 14 14 LEU CD1 C 13 27.032 0.15 . 2 . . . . 14 LEU CD1 . 17318 1 144 . 1 1 14 14 LEU CD2 C 13 26.397 0.15 . 2 . . . . 14 LEU CD2 . 17318 1 145 . 1 1 14 14 LEU N N 15 122.337 0.11 . 1 . . . . 14 LEU N . 17318 1 146 . 1 1 15 15 LYS H H 1 8.838 0.024 . 1 . . . . 15 LYS H . 17318 1 147 . 1 1 15 15 LYS HA H 1 4.551 0.024 . 1 . . . . 15 LYS HA . 17318 1 148 . 1 1 15 15 LYS HB2 H 1 1.715 0.024 . 2 . . . . 15 LYS HB2 . 17318 1 149 . 1 1 15 15 LYS HB3 H 1 1.607 0.024 . 2 . . . . 15 LYS HB3 . 17318 1 150 . 1 1 15 15 LYS HG2 H 1 1.156 0.024 . 2 . . . . 15 LYS HG2 . 17318 1 151 . 1 1 15 15 LYS HG3 H 1 1.301 0.024 . 2 . . . . 15 LYS HG3 . 17318 1 152 . 1 1 15 15 LYS HD2 H 1 1.619 0.024 . 2 . . . . 15 LYS HD2 . 17318 1 153 . 1 1 15 15 LYS HD3 H 1 1.588 0.024 . 2 . . . . 15 LYS HD3 . 17318 1 154 . 1 1 15 15 LYS HE2 H 1 2.857 0.024 . 2 . . . . 15 LYS QE . 17318 1 155 . 1 1 15 15 LYS HE3 H 1 2.857 0.024 . 2 . . . . 15 LYS QE . 17318 1 156 . 1 1 15 15 LYS C C 13 174.255 0.15 . 1 . . . . 15 LYS C . 17318 1 157 . 1 1 15 15 LYS CA C 13 54.914 0.15 . 1 . . . . 15 LYS CA . 17318 1 158 . 1 1 15 15 LYS CB C 13 35.364 0.15 . 1 . . . . 15 LYS CB . 17318 1 159 . 1 1 15 15 LYS CG C 13 24.482 0.15 . 1 . . . . 15 LYS CG . 17318 1 160 . 1 1 15 15 LYS CD C 13 29.009 0.15 . 1 . . . . 15 LYS CD . 17318 1 161 . 1 1 15 15 LYS CE C 13 41.663 0.15 . 1 . . . . 15 LYS CE . 17318 1 162 . 1 1 15 15 LYS N N 15 122.630 0.11 . 1 . . . . 15 LYS N . 17318 1 163 . 1 1 16 16 LEU H H 1 8.927 0.024 . 1 . . . . 16 LEU H . 17318 1 164 . 1 1 16 16 LEU HA H 1 4.358 0.024 . 1 . . . . 16 LEU HA . 17318 1 165 . 1 1 16 16 LEU HB2 H 1 1.281 0.024 . 2 . . . . 16 LEU HB2 . 17318 1 166 . 1 1 16 16 LEU HB3 H 1 1.758 0.024 . 2 . . . . 16 LEU HB3 . 17318 1 167 . 1 1 16 16 LEU HG H 1 1.387 0.024 . 1 . . . . 16 LEU HG . 17318 1 168 . 1 1 16 16 LEU HD11 H 1 0.650 0.024 . 2 . . . . 16 LEU QD1 . 17318 1 169 . 1 1 16 16 LEU HD12 H 1 0.650 0.024 . 2 . . . . 16 LEU QD1 . 17318 1 170 . 1 1 16 16 LEU HD13 H 1 0.650 0.024 . 2 . . . . 16 LEU QD1 . 17318 1 171 . 1 1 16 16 LEU HD21 H 1 0.738 0.024 . 2 . . . . 16 LEU QD2 . 17318 1 172 . 1 1 16 16 LEU HD22 H 1 0.738 0.024 . 2 . . . . 16 LEU QD2 . 17318 1 173 . 1 1 16 16 LEU HD23 H 1 0.738 0.024 . 2 . . . . 16 LEU QD2 . 17318 1 174 . 1 1 16 16 LEU C C 13 175.769 0.15 . 1 . . . . 16 LEU C . 17318 1 175 . 1 1 16 16 LEU CA C 13 54.870 0.15 . 1 . . . . 16 LEU CA . 17318 1 176 . 1 1 16 16 LEU CB C 13 42.412 0.15 . 1 . . . . 16 LEU CB . 17318 1 177 . 1 1 16 16 LEU CG C 13 26.992 0.15 . 1 . . . . 16 LEU CG . 17318 1 178 . 1 1 16 16 LEU CD1 C 13 23.636 0.15 . 2 . . . . 16 LEU CD1 . 17318 1 179 . 1 1 16 16 LEU CD2 C 13 23.353 0.15 . 2 . . . . 16 LEU CD2 . 17318 1 180 . 1 1 16 16 LEU N N 15 128.068 0.11 . 1 . . . . 16 LEU N . 17318 1 181 . 1 1 17 17 LYS H H 1 8.807 0.024 . 1 . . . . 17 LYS H . 17318 1 182 . 1 1 17 17 LYS HA H 1 4.696 0.024 . 1 . . . . 17 LYS HA . 17318 1 183 . 1 1 17 17 LYS HB2 H 1 1.856 0.024 . 2 . . . . 17 LYS HB2 . 17318 1 184 . 1 1 17 17 LYS HB3 H 1 1.762 0.024 . 2 . . . . 17 LYS HB3 . 17318 1 185 . 1 1 17 17 LYS HG2 H 1 1.348 0.024 . 2 . . . . 17 LYS HG2 . 17318 1 186 . 1 1 17 17 LYS HG3 H 1 1.262 0.024 . 2 . . . . 17 LYS HG3 . 17318 1 187 . 1 1 17 17 LYS HD2 H 1 1.618 0.024 . 2 . . . . 17 LYS HD2 . 17318 1 188 . 1 1 17 17 LYS HD3 H 1 1.523 0.024 . 2 . . . . 17 LYS HD3 . 17318 1 189 . 1 1 17 17 LYS HE2 H 1 2.855 0.024 . 2 . . . . 17 LYS QE . 17318 1 190 . 1 1 17 17 LYS HE3 H 1 2.855 0.024 . 2 . . . . 17 LYS QE . 17318 1 191 . 1 1 17 17 LYS CA C 13 53.820 0.15 . 1 . . . . 17 LYS CA . 17318 1 192 . 1 1 17 17 LYS CB C 13 30.110 0.15 . 1 . . . . 17 LYS CB . 17318 1 193 . 1 1 17 17 LYS CG C 13 23.430 0.15 . 1 . . . . 17 LYS CG . 17318 1 194 . 1 1 17 17 LYS CD C 13 28.820 0.15 . 1 . . . . 17 LYS CD . 17318 1 195 . 1 1 17 17 LYS CE C 13 41.588 0.15 . 1 . . . . 17 LYS CE . 17318 1 196 . 1 1 17 17 LYS N N 15 128.126 0.11 . 1 . . . . 17 LYS N . 17318 1 197 . 1 1 18 18 ARG H H 1 8.497 0.024 . 1 . . . . 18 ARG H . 17318 1 198 . 1 1 18 18 ARG HA H 1 4.082 0.024 . 1 . . . . 18 ARG HA . 17318 1 199 . 1 1 18 18 ARG HB2 H 1 1.891 0.024 . 2 . . . . 18 ARG HB2 . 17318 1 200 . 1 1 18 18 ARG HB3 H 1 1.814 0.024 . 2 . . . . 18 ARG HB3 . 17318 1 201 . 1 1 18 18 ARG HG2 H 1 1.729 0.024 . 2 . . . . 18 ARG QG . 17318 1 202 . 1 1 18 18 ARG HG3 H 1 1.729 0.024 . 2 . . . . 18 ARG QG . 17318 1 203 . 1 1 18 18 ARG HD2 H 1 3.264 0.024 . 2 . . . . 18 ARG HD2 . 17318 1 204 . 1 1 18 18 ARG HD3 H 1 3.300 0.024 . 2 . . . . 18 ARG HD3 . 17318 1 205 . 1 1 18 18 ARG HE H 1 7.301 0.024 . 1 . . . . 18 ARG HE . 17318 1 206 . 1 1 18 18 ARG C C 13 180.003 0.15 . 1 . . . . 18 ARG C . 17318 1 207 . 1 1 18 18 ARG CA C 13 60.194 0.15 . 1 . . . . 18 ARG CA . 17318 1 208 . 1 1 18 18 ARG CB C 13 30.175 0.15 . 1 . . . . 18 ARG CB . 17318 1 209 . 1 1 18 18 ARG CG C 13 28.344 0.15 . 1 . . . . 18 ARG CG . 17318 1 210 . 1 1 18 18 ARG CD C 13 42.882 0.15 . 1 . . . . 18 ARG CD . 17318 1 211 . 1 1 18 18 ARG N N 15 122.545 0.11 . 1 . . . . 18 ARG N . 17318 1 212 . 1 1 18 18 ARG NE N 15 83.800 0.11 . 1 . . . . 18 ARG NE . 17318 1 213 . 1 1 19 19 LYS H H 1 8.866 0.024 . 1 . . . . 19 LYS H . 17318 1 214 . 1 1 19 19 LYS HA H 1 4.107 0.024 . 1 . . . . 19 LYS HA . 17318 1 215 . 1 1 19 19 LYS HB2 H 1 1.923 0.024 . 2 . . . . 19 LYS HB2 . 17318 1 216 . 1 1 19 19 LYS HB3 H 1 1.875 0.024 . 2 . . . . 19 LYS HB3 . 17318 1 217 . 1 1 19 19 LYS HG2 H 1 1.451 0.024 . 2 . . . . 19 LYS HG2 . 17318 1 218 . 1 1 19 19 LYS HG3 H 1 1.527 0.024 . 2 . . . . 19 LYS HG3 . 17318 1 219 . 1 1 19 19 LYS HD2 H 1 1.711 0.024 . 2 . . . . 19 LYS QD . 17318 1 220 . 1 1 19 19 LYS HD3 H 1 1.711 0.024 . 2 . . . . 19 LYS QD . 17318 1 221 . 1 1 19 19 LYS HE2 H 1 3.004 0.024 . 2 . . . . 19 LYS QE . 17318 1 222 . 1 1 19 19 LYS HE3 H 1 3.004 0.024 . 2 . . . . 19 LYS QE . 17318 1 223 . 1 1 19 19 LYS C C 13 177.290 0.15 . 1 . . . . 19 LYS C . 17318 1 224 . 1 1 19 19 LYS CA C 13 59.059 0.15 . 1 . . . . 19 LYS CA . 17318 1 225 . 1 1 19 19 LYS CB C 13 31.813 0.15 . 1 . . . . 19 LYS CB . 17318 1 226 . 1 1 19 19 LYS CG C 13 25.091 0.15 . 1 . . . . 19 LYS CG . 17318 1 227 . 1 1 19 19 LYS CD C 13 28.987 0.15 . 1 . . . . 19 LYS CD . 17318 1 228 . 1 1 19 19 LYS CE C 13 42.001 0.15 . 1 . . . . 19 LYS CE . 17318 1 229 . 1 1 19 19 LYS N N 15 117.596 0.11 . 1 . . . . 19 LYS N . 17318 1 230 . 1 1 20 20 SER H H 1 7.224 0.024 . 1 . . . . 20 SER H . 17318 1 231 . 1 1 20 20 SER HA H 1 4.515 0.024 . 1 . . . . 20 SER HA . 17318 1 232 . 1 1 20 20 SER HB2 H 1 3.684 0.024 . 2 . . . . 20 SER HB2 . 17318 1 233 . 1 1 20 20 SER HB3 H 1 3.883 0.024 . 2 . . . . 20 SER HB3 . 17318 1 234 . 1 1 20 20 SER C C 13 173.198 0.15 . 1 . . . . 20 SER C . 17318 1 235 . 1 1 20 20 SER CA C 13 57.180 0.15 . 1 . . . . 20 SER CA . 17318 1 236 . 1 1 20 20 SER CB C 13 63.157 0.15 . 1 . . . . 20 SER CB . 17318 1 237 . 1 1 20 20 SER N N 15 109.067 0.11 . 1 . . . . 20 SER N . 17318 1 238 . 1 1 21 21 ARG H H 1 7.930 0.024 . 1 . . . . 21 ARG H . 17318 1 239 . 1 1 21 21 ARG HA H 1 3.936 0.024 . 1 . . . . 21 ARG HA . 17318 1 240 . 1 1 21 21 ARG HB2 H 1 1.552 0.024 . 2 . . . . 21 ARG QB . 17318 1 241 . 1 1 21 21 ARG HB3 H 1 1.552 0.024 . 2 . . . . 21 ARG QB . 17318 1 242 . 1 1 21 21 ARG HG2 H 1 1.737 0.024 . 2 . . . . 21 ARG HG2 . 17318 1 243 . 1 1 21 21 ARG HG3 H 1 2.312 0.024 . 2 . . . . 21 ARG HG3 . 17318 1 244 . 1 1 21 21 ARG HD2 H 1 3.275 0.024 . 2 . . . . 21 ARG HD2 . 17318 1 245 . 1 1 21 21 ARG HD3 H 1 3.180 0.024 . 2 . . . . 21 ARG HD3 . 17318 1 246 . 1 1 21 21 ARG HE H 1 7.083 0.024 . 1 . . . . 21 ARG HE . 17318 1 247 . 1 1 21 21 ARG C C 13 175.709 0.15 . 1 . . . . 21 ARG C . 17318 1 248 . 1 1 21 21 ARG CA C 13 57.469 0.15 . 1 . . . . 21 ARG CA . 17318 1 249 . 1 1 21 21 ARG CB C 13 27.764 0.15 . 1 . . . . 21 ARG CB . 17318 1 250 . 1 1 21 21 ARG CG C 13 26.759 0.15 . 1 . . . . 21 ARG CG . 17318 1 251 . 1 1 21 21 ARG CD C 13 43.288 0.15 . 1 . . . . 21 ARG CD . 17318 1 252 . 1 1 21 21 ARG N N 15 119.002 0.11 . 1 . . . . 21 ARG N . 17318 1 253 . 1 1 21 21 ARG NE N 15 84.340 0.11 . 1 . . . . 21 ARG NE . 17318 1 254 . 1 1 22 22 GLN H H 1 7.911 0.024 . 1 . . . . 22 GLN H . 17318 1 255 . 1 1 22 22 GLN HA H 1 5.136 0.024 . 1 . . . . 22 GLN HA . 17318 1 256 . 1 1 22 22 GLN HB2 H 1 1.731 0.024 . 2 . . . . 22 GLN QB . 17318 1 257 . 1 1 22 22 GLN HB3 H 1 1.731 0.024 . 2 . . . . 22 GLN QB . 17318 1 258 . 1 1 22 22 GLN HG2 H 1 2.056 0.024 . 2 . . . . 22 GLN HG2 . 17318 1 259 . 1 1 22 22 GLN HG3 H 1 2.363 0.024 . 2 . . . . 22 GLN HG3 . 17318 1 260 . 1 1 22 22 GLN HE21 H 1 6.817 0.024 . 2 . . . . 22 GLN HE21 . 17318 1 261 . 1 1 22 22 GLN HE22 H 1 7.591 0.024 . 2 . . . . 22 GLN HE22 . 17318 1 262 . 1 1 22 22 GLN C C 13 172.941 0.15 . 1 . . . . 22 GLN C . 17318 1 263 . 1 1 22 22 GLN CA C 13 53.779 0.15 . 1 . . . . 22 GLN CA . 17318 1 264 . 1 1 22 22 GLN CB C 13 34.752 0.15 . 1 . . . . 22 GLN CB . 17318 1 265 . 1 1 22 22 GLN CG C 13 33.482 0.15 . 1 . . . . 22 GLN CG . 17318 1 266 . 1 1 22 22 GLN N N 15 116.687 0.11 . 1 . . . . 22 GLN N . 17318 1 267 . 1 1 22 22 GLN NE2 N 15 112.047 0.11 . 1 . . . . 22 GLN NE2 . 17318 1 268 . 1 1 23 23 LEU H H 1 9.271 0.024 . 1 . . . . 23 LEU H . 17318 1 269 . 1 1 23 23 LEU HA H 1 4.808 0.024 . 1 . . . . 23 LEU HA . 17318 1 270 . 1 1 23 23 LEU HB2 H 1 0.904 0.024 . 2 . . . . 23 LEU HB2 . 17318 1 271 . 1 1 23 23 LEU HB3 H 1 1.696 0.024 . 2 . . . . 23 LEU HB3 . 17318 1 272 . 1 1 23 23 LEU HG H 1 1.268 0.024 . 1 . . . . 23 LEU HG . 17318 1 273 . 1 1 23 23 LEU HD11 H 1 0.651 0.024 . 2 . . . . 23 LEU QD1 . 17318 1 274 . 1 1 23 23 LEU HD12 H 1 0.651 0.024 . 2 . . . . 23 LEU QD1 . 17318 1 275 . 1 1 23 23 LEU HD13 H 1 0.651 0.024 . 2 . . . . 23 LEU QD1 . 17318 1 276 . 1 1 23 23 LEU HD21 H 1 0.598 0.024 . 2 . . . . 23 LEU QD2 . 17318 1 277 . 1 1 23 23 LEU HD22 H 1 0.598 0.024 . 2 . . . . 23 LEU QD2 . 17318 1 278 . 1 1 23 23 LEU HD23 H 1 0.598 0.024 . 2 . . . . 23 LEU QD2 . 17318 1 279 . 1 1 23 23 LEU C C 13 174.140 0.15 . 1 . . . . 23 LEU C . 17318 1 280 . 1 1 23 23 LEU CA C 13 53.270 0.15 . 1 . . . . 23 LEU CA . 17318 1 281 . 1 1 23 23 LEU CB C 13 46.003 0.15 . 1 . . . . 23 LEU CB . 17318 1 282 . 1 1 23 23 LEU CG C 13 26.922 0.15 . 1 . . . . 23 LEU CG . 17318 1 283 . 1 1 23 23 LEU CD1 C 13 23.952 0.15 . 2 . . . . 23 LEU CD1 . 17318 1 284 . 1 1 23 23 LEU CD2 C 13 26.161 0.15 . 2 . . . . 23 LEU CD2 . 17318 1 285 . 1 1 23 23 LEU N N 15 121.847 0.11 . 1 . . . . 23 LEU N . 17318 1 286 . 1 1 24 24 GLU H H 1 9.143 0.024 . 1 . . . . 24 GLU H . 17318 1 287 . 1 1 24 24 GLU HA H 1 5.151 0.024 . 1 . . . . 24 GLU HA . 17318 1 288 . 1 1 24 24 GLU HB2 H 1 2.030 0.024 . 2 . . . . 24 GLU HB2 . 17318 1 289 . 1 1 24 24 GLU HB3 H 1 1.885 0.024 . 2 . . . . 24 GLU HB3 . 17318 1 290 . 1 1 24 24 GLU HG2 H 1 2.069 0.024 . 2 . . . . 24 GLU HG2 . 17318 1 291 . 1 1 24 24 GLU HG3 H 1 1.979 0.024 . 2 . . . . 24 GLU HG3 . 17318 1 292 . 1 1 24 24 GLU C C 13 175.668 0.15 . 1 . . . . 24 GLU C . 17318 1 293 . 1 1 24 24 GLU CA C 13 54.867 0.15 . 1 . . . . 24 GLU CA . 17318 1 294 . 1 1 24 24 GLU CB C 13 31.709 0.15 . 1 . . . . 24 GLU CB . 17318 1 295 . 1 1 24 24 GLU CG C 13 36.216 0.15 . 1 . . . . 24 GLU CG . 17318 1 296 . 1 1 24 24 GLU N N 15 126.982 0.11 . 1 . . . . 24 GLU N . 17318 1 297 . 1 1 25 25 ILE H H 1 9.383 0.024 . 1 . . . . 25 ILE H . 17318 1 298 . 1 1 25 25 ILE HA H 1 4.693 0.024 . 1 . . . . 25 ILE HA . 17318 1 299 . 1 1 25 25 ILE HB H 1 1.523 0.024 . 1 . . . . 25 ILE HB . 17318 1 300 . 1 1 25 25 ILE HG12 H 1 0.644 0.024 . 1 . . . . 25 ILE QG1 . 17318 1 301 . 1 1 25 25 ILE HG13 H 1 0.644 0.024 . 1 . . . . 25 ILE QG1 . 17318 1 302 . 1 1 25 25 ILE HG21 H 1 0.492 0.024 . 1 . . . . 25 ILE QG2 . 17318 1 303 . 1 1 25 25 ILE HG22 H 1 0.492 0.024 . 1 . . . . 25 ILE QG2 . 17318 1 304 . 1 1 25 25 ILE HG23 H 1 0.492 0.024 . 1 . . . . 25 ILE QG2 . 17318 1 305 . 1 1 25 25 ILE HD11 H 1 0.778 0.024 . 1 . . . . 25 ILE QD1 . 17318 1 306 . 1 1 25 25 ILE HD12 H 1 0.778 0.024 . 1 . . . . 25 ILE QD1 . 17318 1 307 . 1 1 25 25 ILE HD13 H 1 0.778 0.024 . 1 . . . . 25 ILE QD1 . 17318 1 308 . 1 1 25 25 ILE C C 13 173.688 0.15 . 1 . . . . 25 ILE C . 17318 1 309 . 1 1 25 25 ILE CA C 13 60.178 0.15 . 1 . . . . 25 ILE CA . 17318 1 310 . 1 1 25 25 ILE CB C 13 41.660 0.15 . 1 . . . . 25 ILE CB . 17318 1 311 . 1 1 25 25 ILE CG1 C 13 26.807 0.15 . 1 . . . . 25 ILE CG1 . 17318 1 312 . 1 1 25 25 ILE CG2 C 13 19.220 0.15 . 1 . . . . 25 ILE CG2 . 17318 1 313 . 1 1 25 25 ILE CD1 C 13 16.488 0.15 . 1 . . . . 25 ILE CD1 . 17318 1 314 . 1 1 25 25 ILE N N 15 126.165 0.11 . 1 . . . . 25 ILE N . 17318 1 315 . 1 1 26 26 SER H H 1 8.495 0.024 . 1 . . . . 26 SER H . 17318 1 316 . 1 1 26 26 SER HA H 1 5.155 0.024 . 1 . . . . 26 SER HA . 17318 1 317 . 1 1 26 26 SER HB2 H 1 3.486 0.024 . 2 . . . . 26 SER HB2 . 17318 1 318 . 1 1 26 26 SER HB3 H 1 3.735 0.024 . 2 . . . . 26 SER HB3 . 17318 1 319 . 1 1 26 26 SER C C 13 172.874 0.15 . 1 . . . . 26 SER C . 17318 1 320 . 1 1 26 26 SER CA C 13 57.075 0.15 . 1 . . . . 26 SER CA . 17318 1 321 . 1 1 26 26 SER CB C 13 64.929 0.15 . 1 . . . . 26 SER CB . 17318 1 322 . 1 1 26 26 SER N N 15 121.417 0.11 . 1 . . . . 26 SER N . 17318 1 323 . 1 1 27 27 PHE H H 1 8.747 0.024 . 1 . . . . 27 PHE H . 17318 1 324 . 1 1 27 27 PHE HA H 1 5.466 0.024 . 1 . . . . 27 PHE HA . 17318 1 325 . 1 1 27 27 PHE HB2 H 1 2.999 0.024 . 2 . . . . 27 PHE HB2 . 17318 1 326 . 1 1 27 27 PHE HB3 H 1 3.361 0.024 . 2 . . . . 27 PHE HB3 . 17318 1 327 . 1 1 27 27 PHE HD1 H 1 7.105 0.024 . 3 . . . . 27 PHE QD . 17318 1 328 . 1 1 27 27 PHE HD2 H 1 7.105 0.024 . 3 . . . . 27 PHE QD . 17318 1 329 . 1 1 27 27 PHE HE1 H 1 7.231 0.024 . 3 . . . . 27 PHE QE . 17318 1 330 . 1 1 27 27 PHE HE2 H 1 7.231 0.024 . 3 . . . . 27 PHE QE . 17318 1 331 . 1 1 27 27 PHE C C 13 177.775 0.15 . 1 . . . . 27 PHE C . 17318 1 332 . 1 1 27 27 PHE CA C 13 56.666 0.15 . 1 . . . . 27 PHE CA . 17318 1 333 . 1 1 27 27 PHE CB C 13 43.345 0.15 . 1 . . . . 27 PHE CB . 17318 1 334 . 1 1 27 27 PHE CD1 C 13 131.978 0.15 . 3 . . . . 27 PHE CD1 . 17318 1 335 . 1 1 27 27 PHE CE1 C 13 132.021 0.15 . 3 . . . . 27 PHE CE1 . 17318 1 336 . 1 1 27 27 PHE N N 15 119.853 0.11 . 1 . . . . 27 PHE N . 17318 1 337 . 1 1 28 28 ASP H H 1 9.271 0.024 . 1 . . . . 28 ASP H . 17318 1 338 . 1 1 28 28 ASP HA H 1 4.312 0.024 . 1 . . . . 28 ASP HA . 17318 1 339 . 1 1 28 28 ASP HB2 H 1 2.453 0.024 . 2 . . . . 28 ASP HB2 . 17318 1 340 . 1 1 28 28 ASP HB3 H 1 3.064 0.024 . 2 . . . . 28 ASP HB3 . 17318 1 341 . 1 1 28 28 ASP C C 13 175.306 0.15 . 1 . . . . 28 ASP C . 17318 1 342 . 1 1 28 28 ASP CA C 13 55.185 0.15 . 1 . . . . 28 ASP CA . 17318 1 343 . 1 1 28 28 ASP CB C 13 39.505 0.15 . 1 . . . . 28 ASP CB . 17318 1 344 . 1 1 28 28 ASP N N 15 120.749 0.11 . 1 . . . . 28 ASP N . 17318 1 345 . 1 1 29 29 ASN H H 1 7.612 0.024 . 1 . . . . 29 ASN H . 17318 1 346 . 1 1 29 29 ASN HA H 1 4.745 0.024 . 1 . . . . 29 ASN HA . 17318 1 347 . 1 1 29 29 ASN HB2 H 1 2.842 0.024 . 2 . . . . 29 ASN HB2 . 17318 1 348 . 1 1 29 29 ASN HB3 H 1 3.278 0.024 . 2 . . . . 29 ASN HB3 . 17318 1 349 . 1 1 29 29 ASN HD21 H 1 7.615 0.024 . 2 . . . . 29 ASN HD21 . 17318 1 350 . 1 1 29 29 ASN HD22 H 1 6.924 0.024 . 2 . . . . 29 ASN HD22 . 17318 1 351 . 1 1 29 29 ASN C C 13 176.340 0.15 . 1 . . . . 29 ASN C . 17318 1 352 . 1 1 29 29 ASN CA C 13 52.073 0.15 . 1 . . . . 29 ASN CA . 17318 1 353 . 1 1 29 29 ASN CB C 13 37.360 0.15 . 1 . . . . 29 ASN CB . 17318 1 354 . 1 1 29 29 ASN N N 15 116.789 0.11 . 1 . . . . 29 ASN N . 17318 1 355 . 1 1 29 29 ASN ND2 N 15 108.623 0.11 . 1 . . . . 29 ASN ND2 . 17318 1 356 . 1 1 30 30 GLY H H 1 8.245 0.024 . 1 . . . . 30 GLY H . 17318 1 357 . 1 1 30 30 GLY HA2 H 1 3.758 0.024 . 2 . . . . 30 GLY HA2 . 17318 1 358 . 1 1 30 30 GLY HA3 H 1 4.319 0.024 . 2 . . . . 30 GLY HA3 . 17318 1 359 . 1 1 30 30 GLY C C 13 174.463 0.15 . 1 . . . . 30 GLY C . 17318 1 360 . 1 1 30 30 GLY CA C 13 45.008 0.15 . 1 . . . . 30 GLY CA . 17318 1 361 . 1 1 30 30 GLY N N 15 107.561 0.11 . 1 . . . . 30 GLY N . 17318 1 362 . 1 1 31 31 GLN H H 1 7.713 0.024 . 1 . . . . 31 GLN H . 17318 1 363 . 1 1 31 31 GLN HA H 1 4.291 0.024 . 1 . . . . 31 GLN HA . 17318 1 364 . 1 1 31 31 GLN HB2 H 1 2.390 0.024 . 2 . . . . 31 GLN HB2 . 17318 1 365 . 1 1 31 31 GLN HB3 H 1 1.771 0.024 . 2 . . . . 31 GLN HB3 . 17318 1 366 . 1 1 31 31 GLN HG2 H 1 2.245 0.024 . 2 . . . . 31 GLN HG2 . 17318 1 367 . 1 1 31 31 GLN HG3 H 1 2.181 0.024 . 2 . . . . 31 GLN HG3 . 17318 1 368 . 1 1 31 31 GLN HE21 H 1 7.684 0.024 . 2 . . . . 31 GLN HE21 . 17318 1 369 . 1 1 31 31 GLN HE22 H 1 7.212 0.024 . 2 . . . . 31 GLN HE22 . 17318 1 370 . 1 1 31 31 GLN C C 13 174.544 0.15 . 1 . . . . 31 GLN C . 17318 1 371 . 1 1 31 31 GLN CA C 13 56.404 0.15 . 1 . . . . 31 GLN CA . 17318 1 372 . 1 1 31 31 GLN CB C 13 30.866 0.15 . 1 . . . . 31 GLN CB . 17318 1 373 . 1 1 31 31 GLN CG C 13 34.893 0.15 . 1 . . . . 31 GLN CG . 17318 1 374 . 1 1 31 31 GLN N N 15 118.441 0.11 . 1 . . . . 31 GLN N . 17318 1 375 . 1 1 31 31 GLN NE2 N 15 113.104 0.11 . 1 . . . . 31 GLN NE2 . 17318 1 376 . 1 1 32 32 GLN H H 1 7.943 0.024 . 1 . . . . 32 GLN H . 17318 1 377 . 1 1 32 32 GLN HA H 1 5.384 0.024 . 1 . . . . 32 GLN HA . 17318 1 378 . 1 1 32 32 GLN HB2 H 1 1.865 0.024 . 2 . . . . 32 GLN QB . 17318 1 379 . 1 1 32 32 GLN HB3 H 1 1.865 0.024 . 2 . . . . 32 GLN QB . 17318 1 380 . 1 1 32 32 GLN HG2 H 1 2.153 0.024 . 2 . . . . 32 GLN HG2 . 17318 1 381 . 1 1 32 32 GLN HG3 H 1 2.189 0.024 . 2 . . . . 32 GLN HG3 . 17318 1 382 . 1 1 32 32 GLN HE21 H 1 6.569 0.024 . 2 . . . . 32 GLN HE21 . 17318 1 383 . 1 1 32 32 GLN HE22 H 1 7.286 0.024 . 2 . . . . 32 GLN HE22 . 17318 1 384 . 1 1 32 32 GLN C C 13 174.014 0.15 . 1 . . . . 32 GLN C . 17318 1 385 . 1 1 32 32 GLN CA C 13 54.145 0.15 . 1 . . . . 32 GLN CA . 17318 1 386 . 1 1 32 32 GLN CB C 13 32.332 0.15 . 1 . . . . 32 GLN CB . 17318 1 387 . 1 1 32 32 GLN CG C 13 33.797 0.15 . 1 . . . . 32 GLN CG . 17318 1 388 . 1 1 32 32 GLN N N 15 120.028 0.11 . 1 . . . . 32 GLN N . 17318 1 389 . 1 1 32 32 GLN NE2 N 15 111.360 0.11 . 1 . . . . 32 GLN NE2 . 17318 1 390 . 1 1 33 33 PHE H H 1 9.122 0.024 . 1 . . . . 33 PHE H . 17318 1 391 . 1 1 33 33 PHE HA H 1 5.054 0.024 . 1 . . . . 33 PHE HA . 17318 1 392 . 1 1 33 33 PHE HB2 H 1 2.495 0.024 . 2 . . . . 33 PHE HB2 . 17318 1 393 . 1 1 33 33 PHE HB3 H 1 3.036 0.024 . 2 . . . . 33 PHE HB3 . 17318 1 394 . 1 1 33 33 PHE HD1 H 1 7.244 0.024 . 3 . . . . 33 PHE QD . 17318 1 395 . 1 1 33 33 PHE HD2 H 1 7.244 0.024 . 3 . . . . 33 PHE QD . 17318 1 396 . 1 1 33 33 PHE HE1 H 1 7.190 0.024 . 3 . . . . 33 PHE QE . 17318 1 397 . 1 1 33 33 PHE HE2 H 1 7.190 0.024 . 3 . . . . 33 PHE QE . 17318 1 398 . 1 1 33 33 PHE HZ H 1 6.838 0.024 . 1 . . . . 33 PHE HZ . 17318 1 399 . 1 1 33 33 PHE C C 13 174.303 0.15 . 1 . . . . 33 PHE C . 17318 1 400 . 1 1 33 33 PHE CA C 13 55.983 0.15 . 1 . . . . 33 PHE CA . 17318 1 401 . 1 1 33 33 PHE CB C 13 45.245 0.15 . 1 . . . . 33 PHE CB . 17318 1 402 . 1 1 33 33 PHE CD1 C 13 132.332 0.15 . 3 . . . . 33 PHE CD1 . 17318 1 403 . 1 1 33 33 PHE CE1 C 13 131.140 0.15 . 3 . . . . 33 PHE CE1 . 17318 1 404 . 1 1 33 33 PHE CZ C 13 128.600 0.15 . 1 . . . . 33 PHE CZ . 17318 1 405 . 1 1 33 33 PHE N N 15 119.736 0.11 . 1 . . . . 33 PHE N . 17318 1 406 . 1 1 34 34 THR H H 1 9.062 0.024 . 1 . . . . 34 THR H . 17318 1 407 . 1 1 34 34 THR HA H 1 5.026 0.024 . 1 . . . . 34 THR HA . 17318 1 408 . 1 1 34 34 THR HB H 1 3.928 0.024 . 1 . . . . 34 THR HB . 17318 1 409 . 1 1 34 34 THR HG21 H 1 1.013 0.024 . 1 . . . . 34 THR QG2 . 17318 1 410 . 1 1 34 34 THR HG22 H 1 1.013 0.024 . 1 . . . . 34 THR QG2 . 17318 1 411 . 1 1 34 34 THR HG23 H 1 1.013 0.024 . 1 . . . . 34 THR QG2 . 17318 1 412 . 1 1 34 34 THR C C 13 173.166 0.15 . 1 . . . . 34 THR C . 17318 1 413 . 1 1 34 34 THR CA C 13 61.883 0.15 . 1 . . . . 34 THR CA . 17318 1 414 . 1 1 34 34 THR CB C 13 69.761 0.15 . 1 . . . . 34 THR CB . 17318 1 415 . 1 1 34 34 THR CG2 C 13 22.166 0.15 . 1 . . . . 34 THR CG2 . 17318 1 416 . 1 1 34 34 THR N N 15 116.955 0.11 . 1 . . . . 34 THR N . 17318 1 417 . 1 1 35 35 LEU H H 1 9.011 0.024 . 1 . . . . 35 LEU H . 17318 1 418 . 1 1 35 35 LEU HA H 1 4.864 0.024 . 1 . . . . 35 LEU HA . 17318 1 419 . 1 1 35 35 LEU HB2 H 1 1.560 0.024 . 2 . . . . 35 LEU HB2 . 17318 1 420 . 1 1 35 35 LEU HB3 H 1 1.487 0.024 . 2 . . . . 35 LEU HB3 . 17318 1 421 . 1 1 35 35 LEU HG H 1 1.566 0.024 . 1 . . . . 35 LEU HG . 17318 1 422 . 1 1 35 35 LEU HD11 H 1 0.773 0.024 . 2 . . . . 35 LEU QD1 . 17318 1 423 . 1 1 35 35 LEU HD12 H 1 0.773 0.024 . 2 . . . . 35 LEU QD1 . 17318 1 424 . 1 1 35 35 LEU HD13 H 1 0.773 0.024 . 2 . . . . 35 LEU QD1 . 17318 1 425 . 1 1 35 35 LEU HD21 H 1 0.798 0.024 . 2 . . . . 35 LEU QD2 . 17318 1 426 . 1 1 35 35 LEU HD22 H 1 0.798 0.024 . 2 . . . . 35 LEU QD2 . 17318 1 427 . 1 1 35 35 LEU HD23 H 1 0.798 0.024 . 2 . . . . 35 LEU QD2 . 17318 1 428 . 1 1 35 35 LEU C C 13 175.390 0.15 . 1 . . . . 35 LEU C . 17318 1 429 . 1 1 35 35 LEU CA C 13 52.789 0.15 . 1 . . . . 35 LEU CA . 17318 1 430 . 1 1 35 35 LEU CB C 13 45.915 0.15 . 1 . . . . 35 LEU CB . 17318 1 431 . 1 1 35 35 LEU CG C 13 28.033 0.15 . 1 . . . . 35 LEU CG . 17318 1 432 . 1 1 35 35 LEU CD1 C 13 25.165 0.15 . 2 . . . . 35 LEU CD1 . 17318 1 433 . 1 1 35 35 LEU CD2 C 13 25.816 0.15 . 2 . . . . 35 LEU CD2 . 17318 1 434 . 1 1 35 35 LEU N N 15 126.367 0.11 . 1 . . . . 35 LEU N . 17318 1 435 . 1 1 36 36 SER H H 1 8.702 0.024 . 1 . . . . 36 SER H . 17318 1 436 . 1 1 36 36 SER HA H 1 4.603 0.024 . 1 . . . . 36 SER HA . 17318 1 437 . 1 1 36 36 SER HB2 H 1 3.891 0.024 . 2 . . . . 36 SER HB2 . 17318 1 438 . 1 1 36 36 SER HB3 H 1 4.483 0.024 . 2 . . . . 36 SER HB3 . 17318 1 439 . 1 1 36 36 SER C C 13 174.831 0.15 . 1 . . . . 36 SER C . 17318 1 440 . 1 1 36 36 SER CA C 13 57.288 0.15 . 1 . . . . 36 SER CA . 17318 1 441 . 1 1 36 36 SER CB C 13 63.445 0.15 . 1 . . . . 36 SER CB . 17318 1 442 . 1 1 36 36 SER N N 15 117.353 0.11 . 1 . . . . 36 SER N . 17318 1 443 . 1 1 37 37 CYS H H 1 8.661 0.024 . 1 . . . . 37 CYS H . 17318 1 444 . 1 1 37 37 CYS HA H 1 3.970 0.024 . 1 . . . . 37 CYS HA . 17318 1 445 . 1 1 37 37 CYS HB2 H 1 2.809 0.024 . 2 . . . . 37 CYS HB2 . 17318 1 446 . 1 1 37 37 CYS HB3 H 1 2.967 0.024 . 2 . . . . 37 CYS HB3 . 17318 1 447 . 1 1 37 37 CYS CA C 13 62.468 0.15 . 1 . . . . 37 CYS CA . 17318 1 448 . 1 1 37 37 CYS CB C 13 27.288 0.15 . 1 . . . . 37 CYS CB . 17318 1 449 . 1 1 37 37 CYS N N 15 121.230 0.11 . 1 . . . . 37 CYS N . 17318 1 450 . 1 1 38 38 GLU H H 1 8.471 0.024 . 1 . . . . 38 GLU H . 17318 1 451 . 1 1 38 38 GLU HA H 1 3.598 0.024 . 1 . . . . 38 GLU HA . 17318 1 452 . 1 1 38 38 GLU HB2 H 1 1.792 0.024 . 2 . . . . 38 GLU HB2 . 17318 1 453 . 1 1 38 38 GLU HB3 H 1 2.153 0.024 . 2 . . . . 38 GLU HB3 . 17318 1 454 . 1 1 38 38 GLU HG2 H 1 2.090 0.024 . 2 . . . . 38 GLU HG2 . 17318 1 455 . 1 1 38 38 GLU C C 13 176.766 0.15 . 1 . . . . 38 GLU C . 17318 1 456 . 1 1 38 38 GLU CA C 13 59.906 0.15 . 1 . . . . 38 GLU CA . 17318 1 457 . 1 1 38 38 GLU CB C 13 30.119 0.15 . 1 . . . . 38 GLU CB . 17318 1 458 . 1 1 38 38 GLU CG C 13 35.495 0.15 . 1 . . . . 38 GLU CG . 17318 1 459 . 1 1 38 38 GLU N N 15 119.793 0.11 . 1 . . . . 38 GLU N . 17318 1 460 . 1 1 39 39 LEU H H 1 7.660 0.024 . 1 . . . . 39 LEU H . 17318 1 461 . 1 1 39 39 LEU HA H 1 3.974 0.024 . 1 . . . . 39 LEU HA . 17318 1 462 . 1 1 39 39 LEU HB2 H 1 1.532 0.024 . 2 . . . . 39 LEU HB2 . 17318 1 463 . 1 1 39 39 LEU HB3 H 1 1.863 0.024 . 2 . . . . 39 LEU HB3 . 17318 1 464 . 1 1 39 39 LEU HG H 1 1.721 0.024 . 1 . . . . 39 LEU HG . 17318 1 465 . 1 1 39 39 LEU HD11 H 1 1.135 0.024 . 2 . . . . 39 LEU QD1 . 17318 1 466 . 1 1 39 39 LEU HD12 H 1 1.135 0.024 . 2 . . . . 39 LEU QD1 . 17318 1 467 . 1 1 39 39 LEU HD13 H 1 1.135 0.024 . 2 . . . . 39 LEU QD1 . 17318 1 468 . 1 1 39 39 LEU HD21 H 1 0.932 0.024 . 2 . . . . 39 LEU QD2 . 17318 1 469 . 1 1 39 39 LEU HD22 H 1 0.932 0.024 . 2 . . . . 39 LEU QD2 . 17318 1 470 . 1 1 39 39 LEU HD23 H 1 0.932 0.024 . 2 . . . . 39 LEU QD2 . 17318 1 471 . 1 1 39 39 LEU CA C 13 59.076 0.15 . 1 . . . . 39 LEU CA . 17318 1 472 . 1 1 39 39 LEU CB C 13 41.598 0.15 . 1 . . . . 39 LEU CB . 17318 1 473 . 1 1 39 39 LEU CG C 13 27.829 0.15 . 1 . . . . 39 LEU CG . 17318 1 474 . 1 1 39 39 LEU CD1 C 13 26.066 0.15 . 2 . . . . 39 LEU CD1 . 17318 1 475 . 1 1 39 39 LEU CD2 C 13 26.345 0.15 . 2 . . . . 39 LEU CD2 . 17318 1 476 . 1 1 39 39 LEU N N 15 119.212 0.11 . 1 . . . . 39 LEU N . 17318 1 477 . 1 1 40 40 LEU H H 1 7.429 0.024 . 1 . . . . 40 LEU H . 17318 1 478 . 1 1 40 40 LEU HA H 1 3.911 0.024 . 1 . . . . 40 LEU HA . 17318 1 479 . 1 1 40 40 LEU HB2 H 1 2.088 0.024 . 2 . . . . 40 LEU HB2 . 17318 1 480 . 1 1 40 40 LEU HB3 H 1 1.273 0.024 . 2 . . . . 40 LEU HB3 . 17318 1 481 . 1 1 40 40 LEU HG H 1 1.599 0.024 . 1 . . . . 40 LEU HG . 17318 1 482 . 1 1 40 40 LEU HD11 H 1 0.685 0.024 . 2 . . . . 40 LEU QD1 . 17318 1 483 . 1 1 40 40 LEU HD12 H 1 0.685 0.024 . 2 . . . . 40 LEU QD1 . 17318 1 484 . 1 1 40 40 LEU HD13 H 1 0.685 0.024 . 2 . . . . 40 LEU QD1 . 17318 1 485 . 1 1 40 40 LEU HD21 H 1 0.631 0.024 . 2 . . . . 40 LEU QD2 . 17318 1 486 . 1 1 40 40 LEU HD22 H 1 0.631 0.024 . 2 . . . . 40 LEU QD2 . 17318 1 487 . 1 1 40 40 LEU HD23 H 1 0.631 0.024 . 2 . . . . 40 LEU QD2 . 17318 1 488 . 1 1 40 40 LEU CA C 13 58.006 0.15 . 1 . . . . 40 LEU CA . 17318 1 489 . 1 1 40 40 LEU CB C 13 42.101 0.15 . 1 . . . . 40 LEU CB . 17318 1 490 . 1 1 40 40 LEU CG C 13 27.338 0.15 . 1 . . . . 40 LEU CG . 17318 1 491 . 1 1 40 40 LEU CD1 C 13 27.678 0.15 . 2 . . . . 40 LEU CD1 . 17318 1 492 . 1 1 40 40 LEU CD2 C 13 24.229 0.15 . 2 . . . . 40 LEU CD2 . 17318 1 493 . 1 1 40 40 LEU N N 15 114.494 0.11 . 1 . . . . 40 LEU N . 17318 1 494 . 1 1 41 41 ARG H H 1 8.314 0.024 . 1 . . . . 41 ARG H . 17318 1 495 . 1 1 41 41 ARG HA H 1 3.464 0.024 . 1 . . . . 41 ARG HA . 17318 1 496 . 1 1 41 41 ARG HB2 H 1 1.065 0.024 . 2 . . . . 41 ARG HB2 . 17318 1 497 . 1 1 41 41 ARG HB3 H 1 1.733 0.024 . 2 . . . . 41 ARG HB3 . 17318 1 498 . 1 1 41 41 ARG HG2 H 1 0.745 0.024 . 2 . . . . 41 ARG QG . 17318 1 499 . 1 1 41 41 ARG HG3 H 1 0.745 0.024 . 2 . . . . 41 ARG QG . 17318 1 500 . 1 1 41 41 ARG HD2 H 1 2.185 0.024 . 2 . . . . 41 ARG HD2 . 17318 1 501 . 1 1 41 41 ARG HD3 H 1 1.613 0.024 . 2 . . . . 41 ARG HD3 . 17318 1 502 . 1 1 41 41 ARG HE H 1 10.350 0.024 . 1 . . . . 41 ARG HE . 17318 1 503 . 1 1 41 41 ARG CA C 13 57.035 0.15 . 1 . . . . 41 ARG CA . 17318 1 504 . 1 1 41 41 ARG CB C 13 28.588 0.15 . 1 . . . . 41 ARG CB . 17318 1 505 . 1 1 41 41 ARG CG C 13 27.736 0.15 . 1 . . . . 41 ARG CG . 17318 1 506 . 1 1 41 41 ARG CD C 13 39.624 0.15 . 1 . . . . 41 ARG CD . 17318 1 507 . 1 1 41 41 ARG N N 15 119.491 0.11 . 1 . . . . 41 ARG N . 17318 1 508 . 1 1 41 41 ARG NE N 15 88.498 0.11 . 1 . . . . 41 ARG NE . 17318 1 509 . 1 1 42 42 VAL H H 1 8.345 0.024 . 1 . . . . 42 VAL H . 17318 1 510 . 1 1 42 42 VAL HA H 1 3.664 0.024 . 1 . . . . 42 VAL HA . 17318 1 511 . 1 1 42 42 VAL HB H 1 1.776 0.024 . 1 . . . . 42 VAL HB . 17318 1 512 . 1 1 42 42 VAL HG11 H 1 0.458 0.024 . 2 . . . . 42 VAL QG1 . 17318 1 513 . 1 1 42 42 VAL HG12 H 1 0.458 0.024 . 2 . . . . 42 VAL QG1 . 17318 1 514 . 1 1 42 42 VAL HG13 H 1 0.458 0.024 . 2 . . . . 42 VAL QG1 . 17318 1 515 . 1 1 42 42 VAL HG21 H 1 0.207 0.024 . 2 . . . . 42 VAL QG2 . 17318 1 516 . 1 1 42 42 VAL HG22 H 1 0.207 0.024 . 2 . . . . 42 VAL QG2 . 17318 1 517 . 1 1 42 42 VAL HG23 H 1 0.207 0.024 . 2 . . . . 42 VAL QG2 . 17318 1 518 . 1 1 42 42 VAL C C 13 176.782 0.15 . 1 . . . . 42 VAL C . 17318 1 519 . 1 1 42 42 VAL CA C 13 63.941 0.15 . 1 . . . . 42 VAL CA . 17318 1 520 . 1 1 42 42 VAL CB C 13 31.019 0.15 . 1 . . . . 42 VAL CB . 17318 1 521 . 1 1 42 42 VAL CG1 C 13 19.753 0.15 . 2 . . . . 42 VAL CG1 . 17318 1 522 . 1 1 42 42 VAL CG2 C 13 17.819 0.15 . 2 . . . . 42 VAL CG2 . 17318 1 523 . 1 1 42 42 VAL N N 15 114.670 0.11 . 1 . . . . 42 VAL N . 17318 1 524 . 1 1 43 43 TYR H H 1 7.374 0.024 . 1 . . . . 43 TYR H . 17318 1 525 . 1 1 43 43 TYR HA H 1 4.490 0.024 . 1 . . . . 43 TYR HA . 17318 1 526 . 1 1 43 43 TYR HB2 H 1 3.554 0.024 . 2 . . . . 43 TYR HB2 . 17318 1 527 . 1 1 43 43 TYR HB3 H 1 2.694 0.024 . 2 . . . . 43 TYR HB3 . 17318 1 528 . 1 1 43 43 TYR HD1 H 1 7.287 0.024 . 3 . . . . 43 TYR QD . 17318 1 529 . 1 1 43 43 TYR HD2 H 1 7.287 0.024 . 3 . . . . 43 TYR QD . 17318 1 530 . 1 1 43 43 TYR HE1 H 1 6.614 0.024 . 3 . . . . 43 TYR QE . 17318 1 531 . 1 1 43 43 TYR HE2 H 1 6.614 0.024 . 3 . . . . 43 TYR QE . 17318 1 532 . 1 1 43 43 TYR C C 13 173.386 0.15 . 1 . . . . 43 TYR C . 17318 1 533 . 1 1 43 43 TYR CA C 13 58.961 0.15 . 1 . . . . 43 TYR CA . 17318 1 534 . 1 1 43 43 TYR CB C 13 37.133 0.15 . 1 . . . . 43 TYR CB . 17318 1 535 . 1 1 43 43 TYR CD1 C 13 133.574 0.15 . 3 . . . . 43 TYR CD1 . 17318 1 536 . 1 1 43 43 TYR CE1 C 13 118.165 0.15 . 3 . . . . 43 TYR CE1 . 17318 1 537 . 1 1 43 43 TYR N N 15 118.547 0.11 . 1 . . . . 43 TYR N . 17318 1 538 . 1 1 44 44 SER H H 1 6.642 0.024 . 1 . . . . 44 SER H . 17318 1 539 . 1 1 44 44 SER HA H 1 4.614 0.024 . 1 . . . . 44 SER HA . 17318 1 540 . 1 1 44 44 SER HB2 H 1 4.169 0.024 . 2 . . . . 44 SER HB2 . 17318 1 541 . 1 1 44 44 SER HB3 H 1 3.652 0.024 . 2 . . . . 44 SER HB3 . 17318 1 542 . 1 1 44 44 SER CA C 13 56.006 0.15 . 1 . . . . 44 SER CA . 17318 1 543 . 1 1 44 44 SER CB C 13 63.806 0.15 . 1 . . . . 44 SER CB . 17318 1 544 . 1 1 44 44 SER N N 15 113.176 0.11 . 1 . . . . 44 SER N . 17318 1 545 . 1 1 45 45 PRO HA H 1 4.477 0.024 . 1 . . . . 45 PRO HA . 17318 1 546 . 1 1 45 45 PRO HB2 H 1 2.306 0.024 . 2 . . . . 45 PRO HB2 . 17318 1 547 . 1 1 45 45 PRO HB3 H 1 2.007 0.024 . 2 . . . . 45 PRO HB3 . 17318 1 548 . 1 1 45 45 PRO HG2 H 1 1.633 0.024 . 2 . . . . 45 PRO HG2 . 17318 1 549 . 1 1 45 45 PRO HG3 H 1 1.805 0.024 . 2 . . . . 45 PRO HG3 . 17318 1 550 . 1 1 45 45 PRO HD2 H 1 3.358 0.024 . 2 . . . . 45 PRO HD2 . 17318 1 551 . 1 1 45 45 PRO HD3 H 1 2.873 0.024 . 2 . . . . 45 PRO HD3 . 17318 1 552 . 1 1 45 45 PRO C C 13 176.887 0.15 . 1 . . . . 45 PRO C . 17318 1 553 . 1 1 45 45 PRO CA C 13 63.010 0.15 . 1 . . . . 45 PRO CA . 17318 1 554 . 1 1 45 45 PRO CB C 13 32.009 0.15 . 1 . . . . 45 PRO CB . 17318 1 555 . 1 1 45 45 PRO CG C 13 27.456 0.15 . 1 . . . . 45 PRO CG . 17318 1 556 . 1 1 45 45 PRO CD C 13 50.773 0.15 . 1 . . . . 45 PRO CD . 17318 1 557 . 1 1 46 46 SER H H 1 8.342 0.024 . 1 . . . . 46 SER H . 17318 1 558 . 1 1 46 46 SER HA H 1 4.518 0.024 . 1 . . . . 46 SER HA . 17318 1 559 . 1 1 46 46 SER HB2 H 1 3.851 0.024 . 2 . . . . 46 SER QB . 17318 1 560 . 1 1 46 46 SER HB3 H 1 3.851 0.024 . 2 . . . . 46 SER QB . 17318 1 561 . 1 1 46 46 SER C C 13 174.190 0.15 . 1 . . . . 46 SER C . 17318 1 562 . 1 1 46 46 SER CA C 13 57.565 0.15 . 1 . . . . 46 SER CA . 17318 1 563 . 1 1 46 46 SER CB C 13 63.489 0.15 . 1 . . . . 46 SER CB . 17318 1 564 . 1 1 46 46 SER N N 15 115.586 0.11 . 1 . . . . 46 SER N . 17318 1 565 . 1 1 47 47 ALA H H 1 8.410 0.024 . 1 . . . . 47 ALA H . 17318 1 566 . 1 1 47 47 ALA HA H 1 4.294 0.024 . 1 . . . . 47 ALA HA . 17318 1 567 . 1 1 47 47 ALA HB1 H 1 1.393 0.024 . 1 . . . . 47 ALA QB . 17318 1 568 . 1 1 47 47 ALA HB2 H 1 1.393 0.024 . 1 . . . . 47 ALA QB . 17318 1 569 . 1 1 47 47 ALA HB3 H 1 1.393 0.024 . 1 . . . . 47 ALA QB . 17318 1 570 . 1 1 47 47 ALA C C 13 177.476 0.15 . 1 . . . . 47 ALA C . 17318 1 571 . 1 1 47 47 ALA CA C 13 52.536 0.15 . 1 . . . . 47 ALA CA . 17318 1 572 . 1 1 47 47 ALA CB C 13 19.176 0.15 . 1 . . . . 47 ALA CB . 17318 1 573 . 1 1 47 47 ALA N N 15 126.917 0.11 . 1 . . . . 47 ALA N . 17318 1 574 . 1 1 48 48 GLU H H 1 8.284 0.024 . 1 . . . . 48 GLU H . 17318 1 575 . 1 1 48 48 GLU HA H 1 4.259 0.024 . 1 . . . . 48 GLU HA . 17318 1 576 . 1 1 48 48 GLU HB2 H 1 1.921 0.024 . 2 . . . . 48 GLU HB2 . 17318 1 577 . 1 1 48 48 GLU HB3 H 1 2.001 0.024 . 2 . . . . 48 GLU HB3 . 17318 1 578 . 1 1 48 48 GLU HG2 H 1 2.278 0.024 . 2 . . . . 48 GLU HG2 . 17318 1 579 . 1 1 48 48 GLU HG3 H 1 2.208 0.024 . 2 . . . . 48 GLU HG3 . 17318 1 580 . 1 1 48 48 GLU C C 13 176.169 0.15 . 1 . . . . 48 GLU C . 17318 1 581 . 1 1 48 48 GLU CA C 13 56.502 0.15 . 1 . . . . 48 GLU CA . 17318 1 582 . 1 1 48 48 GLU CB C 13 30.110 0.15 . 1 . . . . 48 GLU CB . 17318 1 583 . 1 1 48 48 GLU CG C 13 36.175 0.15 . 1 . . . . 48 GLU CG . 17318 1 584 . 1 1 48 48 GLU N N 15 119.202 0.11 . 1 . . . . 48 GLU N . 17318 1 585 . 1 1 49 49 VAL H H 1 8.066 0.024 . 1 . . . . 49 VAL H . 17318 1 586 . 1 1 49 49 VAL HA H 1 4.089 0.024 . 1 . . . . 49 VAL HA . 17318 1 587 . 1 1 49 49 VAL HB H 1 1.987 0.024 . 1 . . . . 49 VAL HB . 17318 1 588 . 1 1 49 49 VAL HG11 H 1 0.837 0.024 . 2 . . . . 49 VAL QG1 . 17318 1 589 . 1 1 49 49 VAL HG12 H 1 0.837 0.024 . 2 . . . . 49 VAL QG1 . 17318 1 590 . 1 1 49 49 VAL HG13 H 1 0.837 0.024 . 2 . . . . 49 VAL QG1 . 17318 1 591 . 1 1 49 49 VAL HG21 H 1 0.795 0.024 . 2 . . . . 49 VAL QG2 . 17318 1 592 . 1 1 49 49 VAL HG22 H 1 0.795 0.024 . 2 . . . . 49 VAL QG2 . 17318 1 593 . 1 1 49 49 VAL HG23 H 1 0.795 0.024 . 2 . . . . 49 VAL QG2 . 17318 1 594 . 1 1 49 49 VAL C C 13 175.740 0.15 . 1 . . . . 49 VAL C . 17318 1 595 . 1 1 49 49 VAL CA C 13 62.247 0.15 . 1 . . . . 49 VAL CA . 17318 1 596 . 1 1 49 49 VAL CB C 13 32.836 0.15 . 1 . . . . 49 VAL CB . 17318 1 597 . 1 1 49 49 VAL CG1 C 13 20.380 0.15 . 2 . . . . 49 VAL CG1 . 17318 1 598 . 1 1 49 49 VAL CG2 C 13 20.887 0.15 . 2 . . . . 49 VAL CG2 . 17318 1 599 . 1 1 49 49 VAL N N 15 119.910 0.11 . 1 . . . . 49 VAL N . 17318 1 600 . 1 1 50 50 HIS H H 1 8.470 0.024 . 1 . . . . 50 HIS H . 17318 1 601 . 1 1 50 50 HIS HA H 1 4.778 0.024 . 1 . . . . 50 HIS HA . 17318 1 602 . 1 1 50 50 HIS HB2 H 1 3.109 0.024 . 2 . . . . 50 HIS HB2 . 17318 1 603 . 1 1 50 50 HIS HB3 H 1 3.230 0.024 . 2 . . . . 50 HIS HB3 . 17318 1 604 . 1 1 50 50 HIS HD2 H 1 7.162 0.024 . 1 . . . . 50 HIS HD2 . 17318 1 605 . 1 1 50 50 HIS C C 13 175.060 0.15 . 1 . . . . 50 HIS C . 17318 1 606 . 1 1 50 50 HIS CA C 13 55.521 0.15 . 1 . . . . 50 HIS CA . 17318 1 607 . 1 1 50 50 HIS CB C 13 29.628 0.15 . 1 . . . . 50 HIS CB . 17318 1 608 . 1 1 50 50 HIS CD2 C 13 119.912 0.15 . 1 . . . . 50 HIS CD2 . 17318 1 609 . 1 1 50 50 HIS N N 15 121.172 0.11 . 1 . . . . 50 HIS N . 17318 1 610 . 1 1 51 51 GLY H H 1 8.340 0.024 . 1 . . . . 51 GLY H . 17318 1 611 . 1 1 51 51 GLY HA2 H 1 3.957 0.024 . 2 . . . . 51 GLY HA2 . 17318 1 612 . 1 1 51 51 GLY HA3 H 1 3.845 0.024 . 2 . . . . 51 GLY HA3 . 17318 1 613 . 1 1 51 51 GLY CA C 13 45.400 0.15 . 1 . . . . 51 GLY CA . 17318 1 614 . 1 1 51 51 GLY N N 15 109.448 0.11 . 1 . . . . 51 GLY N . 17318 1 615 . 1 1 52 52 HIS HA H 1 4.676 0.024 . 1 . . . . 52 HIS HA . 17318 1 616 . 1 1 52 52 HIS HB2 H 1 3.138 0.024 . 2 . . . . 52 HIS HB2 . 17318 1 617 . 1 1 52 52 HIS HB3 H 1 3.290 0.024 . 2 . . . . 52 HIS HB3 . 17318 1 618 . 1 1 52 52 HIS HD2 H 1 7.182 0.024 . 1 . . . . 52 HIS HD2 . 17318 1 619 . 1 1 52 52 HIS C C 13 174.766 0.15 . 1 . . . . 52 HIS C . 17318 1 620 . 1 1 52 52 HIS CA C 13 55.451 0.15 . 1 . . . . 52 HIS CA . 17318 1 621 . 1 1 52 52 HIS CB C 13 29.131 0.15 . 1 . . . . 52 HIS CB . 17318 1 622 . 1 1 52 52 HIS CD2 C 13 119.924 0.15 . 1 . . . . 52 HIS CD2 . 17318 1 623 . 1 1 53 53 GLY H H 1 8.351 0.024 . 1 . . . . 53 GLY H . 17318 1 624 . 1 1 53 53 GLY HA2 H 1 4.006 0.024 . 2 . . . . 53 GLY HA2 . 17318 1 625 . 1 1 53 53 GLY HA3 H 1 3.878 0.024 . 2 . . . . 53 GLY HA3 . 17318 1 626 . 1 1 53 53 GLY CA C 13 44.951 0.15 . 1 . . . . 53 GLY CA . 17318 1 627 . 1 1 53 53 GLY N N 15 108.889 0.11 . 1 . . . . 53 GLY N . 17318 1 628 . 1 1 54 54 ASN H H 1 8.266 0.024 . 1 . . . . 54 ASN H . 17318 1 629 . 1 1 54 54 ASN HA H 1 5.020 0.024 . 1 . . . . 54 ASN HA . 17318 1 630 . 1 1 54 54 ASN HB2 H 1 2.621 0.024 . 2 . . . . 54 ASN HB2 . 17318 1 631 . 1 1 54 54 ASN HB3 H 1 2.767 0.024 . 2 . . . . 54 ASN HB3 . 17318 1 632 . 1 1 54 54 ASN HD21 H 1 6.948 0.024 . 2 . . . . 54 ASN HD21 . 17318 1 633 . 1 1 54 54 ASN HD22 H 1 7.572 0.024 . 2 . . . . 54 ASN HD22 . 17318 1 634 . 1 1 54 54 ASN CA C 13 51.010 0.15 . 1 . . . . 54 ASN CA . 17318 1 635 . 1 1 54 54 ASN CB C 13 38.506 0.15 . 1 . . . . 54 ASN CB . 17318 1 636 . 1 1 54 54 ASN N N 15 118.900 0.11 . 1 . . . . 54 ASN N . 17318 1 637 . 1 1 54 54 ASN ND2 N 15 112.880 0.11 . 1 . . . . 54 ASN ND2 . 17318 1 638 . 1 1 55 55 PRO HA H 1 4.475 0.024 . 1 . . . . 55 PRO HA . 17318 1 639 . 1 1 55 55 PRO HB2 H 1 1.852 0.024 . 2 . . . . 55 PRO HB2 . 17318 1 640 . 1 1 55 55 PRO HB3 H 1 2.216 0.024 . 2 . . . . 55 PRO HB3 . 17318 1 641 . 1 1 55 55 PRO HG2 H 1 1.984 0.024 . 2 . . . . 55 PRO QG . 17318 1 642 . 1 1 55 55 PRO HG3 H 1 1.984 0.024 . 2 . . . . 55 PRO QG . 17318 1 643 . 1 1 55 55 PRO HD2 H 1 3.802 0.024 . 2 . . . . 55 PRO HD2 . 17318 1 644 . 1 1 55 55 PRO HD3 H 1 3.664 0.024 . 2 . . . . 55 PRO HD3 . 17318 1 645 . 1 1 55 55 PRO C C 13 176.671 0.15 . 1 . . . . 55 PRO C . 17318 1 646 . 1 1 55 55 PRO CA C 13 62.806 0.15 . 1 . . . . 55 PRO CA . 17318 1 647 . 1 1 55 55 PRO CB C 13 31.999 0.15 . 1 . . . . 55 PRO CB . 17318 1 648 . 1 1 55 55 PRO CG C 13 27.339 0.15 . 1 . . . . 55 PRO CG . 17318 1 649 . 1 1 55 55 PRO CD C 13 50.356 0.15 . 1 . . . . 55 PRO CD . 17318 1 650 . 1 1 56 56 VAL H H 1 8.323 0.024 . 1 . . . . 56 VAL H . 17318 1 651 . 1 1 56 56 VAL HA H 1 3.922 0.024 . 1 . . . . 56 VAL HA . 17318 1 652 . 1 1 56 56 VAL HB H 1 1.973 0.024 . 1 . . . . 56 VAL HB . 17318 1 653 . 1 1 56 56 VAL HG11 H 1 0.896 0.024 . 2 . . . . 56 VAL QG1 . 17318 1 654 . 1 1 56 56 VAL HG12 H 1 0.896 0.024 . 2 . . . . 56 VAL QG1 . 17318 1 655 . 1 1 56 56 VAL HG13 H 1 0.896 0.024 . 2 . . . . 56 VAL QG1 . 17318 1 656 . 1 1 56 56 VAL HG21 H 1 0.869 0.024 . 2 . . . . 56 VAL QG2 . 17318 1 657 . 1 1 56 56 VAL HG22 H 1 0.869 0.024 . 2 . . . . 56 VAL QG2 . 17318 1 658 . 1 1 56 56 VAL HG23 H 1 0.869 0.024 . 2 . . . . 56 VAL QG2 . 17318 1 659 . 1 1 56 56 VAL C C 13 175.573 0.15 . 1 . . . . 56 VAL C . 17318 1 660 . 1 1 56 56 VAL CA C 13 62.056 0.15 . 1 . . . . 56 VAL CA . 17318 1 661 . 1 1 56 56 VAL CB C 13 32.642 0.15 . 1 . . . . 56 VAL CB . 17318 1 662 . 1 1 56 56 VAL CG1 C 13 20.850 0.15 . 2 . . . . 56 VAL CG1 . 17318 1 663 . 1 1 56 56 VAL CG2 C 13 20.812 0.15 . 2 . . . . 56 VAL CG2 . 17318 1 664 . 1 1 56 56 VAL N N 15 121.651 0.11 . 1 . . . . 56 VAL N . 17318 1 665 . 1 1 57 57 LEU H H 1 8.410 0.024 . 1 . . . . 57 LEU H . 17318 1 666 . 1 1 57 57 LEU HA H 1 4.196 0.024 . 1 . . . . 57 LEU HA . 17318 1 667 . 1 1 57 57 LEU HB2 H 1 1.674 0.024 . 2 . . . . 57 LEU HB2 . 17318 1 668 . 1 1 57 57 LEU HB3 H 1 1.274 0.024 . 2 . . . . 57 LEU HB3 . 17318 1 669 . 1 1 57 57 LEU HG H 1 1.214 0.024 . 1 . . . . 57 LEU HG . 17318 1 670 . 1 1 57 57 LEU HD11 H 1 0.758 0.024 . 2 . . . . 57 LEU QD1 . 17318 1 671 . 1 1 57 57 LEU HD12 H 1 0.758 0.024 . 2 . . . . 57 LEU QD1 . 17318 1 672 . 1 1 57 57 LEU HD13 H 1 0.758 0.024 . 2 . . . . 57 LEU QD1 . 17318 1 673 . 1 1 57 57 LEU HD21 H 1 0.557 0.024 . 2 . . . . 57 LEU QD2 . 17318 1 674 . 1 1 57 57 LEU HD22 H 1 0.557 0.024 . 2 . . . . 57 LEU QD2 . 17318 1 675 . 1 1 57 57 LEU HD23 H 1 0.557 0.024 . 2 . . . . 57 LEU QD2 . 17318 1 676 . 1 1 57 57 LEU C C 13 175.099 0.15 . 1 . . . . 57 LEU C . 17318 1 677 . 1 1 57 57 LEU CA C 13 54.496 0.15 . 1 . . . . 57 LEU CA . 17318 1 678 . 1 1 57 57 LEU CB C 13 42.568 0.15 . 1 . . . . 57 LEU CB . 17318 1 679 . 1 1 57 57 LEU CG C 13 26.390 0.15 . 1 . . . . 57 LEU CG . 17318 1 680 . 1 1 57 57 LEU CD1 C 13 23.833 0.15 . 2 . . . . 57 LEU CD1 . 17318 1 681 . 1 1 57 57 LEU CD2 C 13 26.007 0.15 . 2 . . . . 57 LEU CD2 . 17318 1 682 . 1 1 57 57 LEU N N 15 128.253 0.11 . 1 . . . . 57 LEU N . 17318 1 683 . 1 1 58 58 VAL H H 1 8.588 0.024 . 1 . . . . 58 VAL H . 17318 1 684 . 1 1 58 58 VAL HA H 1 4.073 0.024 . 1 . . . . 58 VAL HA . 17318 1 685 . 1 1 58 58 VAL HB H 1 1.808 0.024 . 1 . . . . 58 VAL HB . 17318 1 686 . 1 1 58 58 VAL HG11 H 1 0.924 0.024 . 2 . . . . 58 VAL QG1 . 17318 1 687 . 1 1 58 58 VAL HG12 H 1 0.924 0.024 . 2 . . . . 58 VAL QG1 . 17318 1 688 . 1 1 58 58 VAL HG13 H 1 0.924 0.024 . 2 . . . . 58 VAL QG1 . 17318 1 689 . 1 1 58 58 VAL HG21 H 1 0.732 0.024 . 2 . . . . 58 VAL QG2 . 17318 1 690 . 1 1 58 58 VAL HG22 H 1 0.732 0.024 . 2 . . . . 58 VAL QG2 . 17318 1 691 . 1 1 58 58 VAL HG23 H 1 0.732 0.024 . 2 . . . . 58 VAL QG2 . 17318 1 692 . 1 1 58 58 VAL C C 13 175.341 0.15 . 1 . . . . 58 VAL C . 17318 1 693 . 1 1 58 58 VAL CA C 13 62.470 0.15 . 1 . . . . 58 VAL CA . 17318 1 694 . 1 1 58 58 VAL CB C 13 31.743 0.15 . 1 . . . . 58 VAL CB . 17318 1 695 . 1 1 58 58 VAL CG1 C 13 21.359 0.15 . 2 . . . . 58 VAL CG1 . 17318 1 696 . 1 1 58 58 VAL CG2 C 13 23.252 0.15 . 2 . . . . 58 VAL CG2 . 17318 1 697 . 1 1 58 58 VAL N N 15 129.680 0.11 . 1 . . . . 58 VAL N . 17318 1 698 . 1 1 59 59 THR H H 1 8.264 0.024 . 1 . . . . 59 THR H . 17318 1 699 . 1 1 59 59 THR HA H 1 4.268 0.024 . 1 . . . . 59 THR HA . 17318 1 700 . 1 1 59 59 THR HB H 1 4.042 0.024 . 1 . . . . 59 THR HB . 17318 1 701 . 1 1 59 59 THR HG21 H 1 0.885 0.024 . 1 . . . . 59 THR QG2 . 17318 1 702 . 1 1 59 59 THR HG22 H 1 0.885 0.024 . 1 . . . . 59 THR QG2 . 17318 1 703 . 1 1 59 59 THR HG23 H 1 0.885 0.024 . 1 . . . . 59 THR QG2 . 17318 1 704 . 1 1 59 59 THR C C 13 173.659 0.15 . 1 . . . . 59 THR C . 17318 1 705 . 1 1 59 59 THR CA C 13 60.138 0.15 . 1 . . . . 59 THR CA . 17318 1 706 . 1 1 59 59 THR CB C 13 70.425 0.15 . 1 . . . . 59 THR CB . 17318 1 707 . 1 1 59 59 THR CG2 C 13 22.413 0.15 . 1 . . . . 59 THR CG2 . 17318 1 708 . 1 1 59 59 THR N N 15 116.769 0.11 . 1 . . . . 59 THR N . 17318 1 709 . 1 1 60 60 HIS H H 1 8.484 0.024 . 1 . . . . 60 HIS H . 17318 1 710 . 1 1 60 60 HIS HA H 1 3.992 0.024 . 1 . . . . 60 HIS HA . 17318 1 711 . 1 1 60 60 HIS HB2 H 1 3.539 0.024 . 2 . . . . 60 HIS HB2 . 17318 1 712 . 1 1 60 60 HIS HB3 H 1 3.402 0.024 . 2 . . . . 60 HIS HB3 . 17318 1 713 . 1 1 60 60 HIS HD2 H 1 7.355 0.024 . 1 . . . . 60 HIS HD2 . 17318 1 714 . 1 1 60 60 HIS C C 13 176.178 0.15 . 1 . . . . 60 HIS C . 17318 1 715 . 1 1 60 60 HIS CA C 13 57.075 0.15 . 1 . . . . 60 HIS CA . 17318 1 716 . 1 1 60 60 HIS CB C 13 25.799 0.15 . 1 . . . . 60 HIS CB . 17318 1 717 . 1 1 60 60 HIS CD2 C 13 122.668 0.15 . 1 . . . . 60 HIS CD2 . 17318 1 718 . 1 1 60 60 HIS N N 15 108.627 0.11 . 1 . . . . 60 HIS N . 17318 1 719 . 1 1 61 61 LYS H H 1 8.919 0.024 . 1 . . . . 61 LYS H . 17318 1 720 . 1 1 61 61 LYS HA H 1 4.762 0.024 . 1 . . . . 61 LYS HA . 17318 1 721 . 1 1 61 61 LYS HB2 H 1 1.892 0.024 . 2 . . . . 61 LYS HB2 . 17318 1 722 . 1 1 61 61 LYS HB3 H 1 1.858 0.024 . 2 . . . . 61 LYS HB3 . 17318 1 723 . 1 1 61 61 LYS HG2 H 1 1.815 0.024 . 2 . . . . 61 LYS HG2 . 17318 1 724 . 1 1 61 61 LYS HG3 H 1 1.892 0.024 . 2 . . . . 61 LYS HG3 . 17318 1 725 . 1 1 61 61 LYS HD2 H 1 1.798 0.024 . 2 . . . . 61 LYS HD2 . 17318 1 726 . 1 1 61 61 LYS HD3 H 1 1.520 0.024 . 2 . . . . 61 LYS HD3 . 17318 1 727 . 1 1 61 61 LYS HE2 H 1 3.272 0.024 . 2 . . . . 61 LYS HE2 . 17318 1 728 . 1 1 61 61 LYS HE3 H 1 3.141 0.024 . 2 . . . . 61 LYS HE3 . 17318 1 729 . 1 1 61 61 LYS CA C 13 53.300 0.15 . 1 . . . . 61 LYS CA . 17318 1 730 . 1 1 61 61 LYS CB C 13 30.321 0.15 . 1 . . . . 61 LYS CB . 17318 1 731 . 1 1 61 61 LYS CG C 13 30.137 0.15 . 1 . . . . 61 LYS CG . 17318 1 732 . 1 1 61 61 LYS CD C 13 27.852 0.15 . 1 . . . . 61 LYS CD . 17318 1 733 . 1 1 61 61 LYS CE C 13 43.414 0.15 . 1 . . . . 61 LYS CE . 17318 1 734 . 1 1 61 61 LYS N N 15 115.423 0.11 . 1 . . . . 61 LYS N . 17318 1 735 . 1 1 62 62 LYS H H 1 8.502 0.024 . 1 . . . . 62 LYS H . 17318 1 736 . 1 1 62 62 LYS HA H 1 4.112 0.024 . 1 . . . . 62 LYS HA . 17318 1 737 . 1 1 62 62 LYS HB2 H 1 1.894 0.024 . 2 . . . . 62 LYS HB2 . 17318 1 738 . 1 1 62 62 LYS HB3 H 1 1.467 0.024 . 2 . . . . 62 LYS HB3 . 17318 1 739 . 1 1 62 62 LYS HG2 H 1 1.460 0.024 . 2 . . . . 62 LYS QG . 17318 1 740 . 1 1 62 62 LYS HG3 H 1 1.460 0.024 . 2 . . . . 62 LYS QG . 17318 1 741 . 1 1 62 62 LYS HD2 H 1 1.601 0.024 . 2 . . . . 62 LYS HD2 . 17318 1 742 . 1 1 62 62 LYS HD3 H 1 1.633 0.024 . 2 . . . . 62 LYS HD3 . 17318 1 743 . 1 1 62 62 LYS HE2 H 1 2.963 0.024 . 2 . . . . 62 LYS QE . 17318 1 744 . 1 1 62 62 LYS HE3 H 1 2.963 0.024 . 2 . . . . 62 LYS QE . 17318 1 745 . 1 1 62 62 LYS C C 13 177.836 0.15 . 1 . . . . 62 LYS C . 17318 1 746 . 1 1 62 62 LYS CA C 13 59.696 0.15 . 1 . . . . 62 LYS CA . 17318 1 747 . 1 1 62 62 LYS CB C 13 33.636 0.15 . 1 . . . . 62 LYS CB . 17318 1 748 . 1 1 62 62 LYS CG C 13 24.867 0.15 . 1 . . . . 62 LYS CG . 17318 1 749 . 1 1 62 62 LYS CD C 13 30.195 0.15 . 1 . . . . 62 LYS CD . 17318 1 750 . 1 1 62 62 LYS CE C 13 41.937 0.15 . 1 . . . . 62 LYS CE . 17318 1 751 . 1 1 62 62 LYS N N 15 119.978 0.11 . 1 . . . . 62 LYS N . 17318 1 752 . 1 1 63 63 ASN H H 1 8.741 0.024 . 1 . . . . 63 ASN H . 17318 1 753 . 1 1 63 63 ASN HA H 1 4.855 0.024 . 1 . . . . 63 ASN HA . 17318 1 754 . 1 1 63 63 ASN HB2 H 1 3.026 0.024 . 2 . . . . 63 ASN HB2 . 17318 1 755 . 1 1 63 63 ASN HB3 H 1 2.667 0.024 . 2 . . . . 63 ASN HB3 . 17318 1 756 . 1 1 63 63 ASN HD21 H 1 6.920 0.024 . 2 . . . . 63 ASN HD21 . 17318 1 757 . 1 1 63 63 ASN HD22 H 1 7.476 0.024 . 2 . . . . 63 ASN HD22 . 17318 1 758 . 1 1 63 63 ASN C C 13 174.976 0.15 . 1 . . . . 63 ASN C . 17318 1 759 . 1 1 63 63 ASN CA C 13 51.816 0.15 . 1 . . . . 63 ASN CA . 17318 1 760 . 1 1 63 63 ASN CB C 13 38.336 0.15 . 1 . . . . 63 ASN CB . 17318 1 761 . 1 1 63 63 ASN N N 15 113.422 0.11 . 1 . . . . 63 ASN N . 17318 1 762 . 1 1 63 63 ASN ND2 N 15 110.041 0.11 . 1 . . . . 63 ASN ND2 . 17318 1 763 . 1 1 64 64 VAL H H 1 7.672 0.024 . 1 . . . . 64 VAL H . 17318 1 764 . 1 1 64 64 VAL HA H 1 4.174 0.024 . 1 . . . . 64 VAL HA . 17318 1 765 . 1 1 64 64 VAL HB H 1 2.156 0.024 . 1 . . . . 64 VAL HB . 17318 1 766 . 1 1 64 64 VAL HG11 H 1 0.799 0.024 . 2 . . . . 64 VAL QG1 . 17318 1 767 . 1 1 64 64 VAL HG12 H 1 0.799 0.024 . 2 . . . . 64 VAL QG1 . 17318 1 768 . 1 1 64 64 VAL HG13 H 1 0.799 0.024 . 2 . . . . 64 VAL QG1 . 17318 1 769 . 1 1 64 64 VAL HG21 H 1 1.275 0.024 . 2 . . . . 64 VAL QG2 . 17318 1 770 . 1 1 64 64 VAL HG22 H 1 1.275 0.024 . 2 . . . . 64 VAL QG2 . 17318 1 771 . 1 1 64 64 VAL HG23 H 1 1.275 0.024 . 2 . . . . 64 VAL QG2 . 17318 1 772 . 1 1 64 64 VAL C C 13 171.906 0.15 . 1 . . . . 64 VAL C . 17318 1 773 . 1 1 64 64 VAL CA C 13 62.846 0.15 . 1 . . . . 64 VAL CA . 17318 1 774 . 1 1 64 64 VAL CB C 13 32.151 0.15 . 1 . . . . 64 VAL CB . 17318 1 775 . 1 1 64 64 VAL CG1 C 13 20.735 0.15 . 2 . . . . 64 VAL CG1 . 17318 1 776 . 1 1 64 64 VAL CG2 C 13 23.016 0.15 . 2 . . . . 64 VAL CG2 . 17318 1 777 . 1 1 64 64 VAL N N 15 122.718 0.11 . 1 . . . . 64 VAL N . 17318 1 778 . 1 1 65 65 ASN H H 1 9.003 0.024 . 1 . . . . 65 ASN H . 17318 1 779 . 1 1 65 65 ASN HA H 1 5.264 0.024 . 1 . . . . 65 ASN HA . 17318 1 780 . 1 1 65 65 ASN HB2 H 1 2.884 0.024 . 2 . . . . 65 ASN HB2 . 17318 1 781 . 1 1 65 65 ASN HB3 H 1 2.578 0.024 . 2 . . . . 65 ASN HB3 . 17318 1 782 . 1 1 65 65 ASN HD21 H 1 7.798 0.024 . 2 . . . . 65 ASN HD21 . 17318 1 783 . 1 1 65 65 ASN HD22 H 1 7.217 0.024 . 2 . . . . 65 ASN HD22 . 17318 1 784 . 1 1 65 65 ASN CA C 13 49.267 0.15 . 1 . . . . 65 ASN CA . 17318 1 785 . 1 1 65 65 ASN CB C 13 42.892 0.15 . 1 . . . . 65 ASN CB . 17318 1 786 . 1 1 65 65 ASN N N 15 124.370 0.11 . 1 . . . . 65 ASN N . 17318 1 787 . 1 1 65 65 ASN ND2 N 15 109.918 0.11 . 1 . . . . 65 ASN ND2 . 17318 1 788 . 1 1 66 66 ILE H H 1 8.414 0.024 . 1 . . . . 66 ILE H . 17318 1 789 . 1 1 66 66 ILE HA H 1 4.050 0.024 . 1 . . . . 66 ILE HA . 17318 1 790 . 1 1 66 66 ILE HB H 1 1.389 0.024 . 1 . . . . 66 ILE HB . 17318 1 791 . 1 1 66 66 ILE HG12 H 1 -0.134 0.024 . 2 . . . . 66 ILE HG12 . 17318 1 792 . 1 1 66 66 ILE HG13 H 1 1.528 0.024 . 2 . . . . 66 ILE HG13 . 17318 1 793 . 1 1 66 66 ILE HG21 H 1 0.482 0.024 . 1 . . . . 66 ILE QG2 . 17318 1 794 . 1 1 66 66 ILE HG22 H 1 0.482 0.024 . 1 . . . . 66 ILE QG2 . 17318 1 795 . 1 1 66 66 ILE HG23 H 1 0.482 0.024 . 1 . . . . 66 ILE QG2 . 17318 1 796 . 1 1 66 66 ILE HD11 H 1 0.608 0.024 . 1 . . . . 66 ILE QD1 . 17318 1 797 . 1 1 66 66 ILE HD12 H 1 0.608 0.024 . 1 . . . . 66 ILE QD1 . 17318 1 798 . 1 1 66 66 ILE HD13 H 1 0.608 0.024 . 1 . . . . 66 ILE QD1 . 17318 1 799 . 1 1 66 66 ILE C C 13 174.385 0.15 . 1 . . . . 66 ILE C . 17318 1 800 . 1 1 66 66 ILE CA C 13 61.230 0.15 . 1 . . . . 66 ILE CA . 17318 1 801 . 1 1 66 66 ILE CB C 13 39.650 0.15 . 1 . . . . 66 ILE CB . 17318 1 802 . 1 1 66 66 ILE CG1 C 13 29.807 0.15 . 1 . . . . 66 ILE CG1 . 17318 1 803 . 1 1 66 66 ILE CG2 C 13 18.405 0.15 . 1 . . . . 66 ILE CG2 . 17318 1 804 . 1 1 66 66 ILE CD1 C 13 15.360 0.15 . 1 . . . . 66 ILE CD1 . 17318 1 805 . 1 1 66 66 ILE N N 15 120.497 0.11 . 1 . . . . 66 ILE N . 17318 1 806 . 1 1 67 67 ASN H H 1 9.202 0.024 . 1 . . . . 67 ASN H . 17318 1 807 . 1 1 67 67 ASN HA H 1 4.781 0.024 . 1 . . . . 67 ASN HA . 17318 1 808 . 1 1 67 67 ASN HB2 H 1 2.382 0.024 . 2 . . . . 67 ASN HB2 . 17318 1 809 . 1 1 67 67 ASN HB3 H 1 2.786 0.024 . 2 . . . . 67 ASN HB3 . 17318 1 810 . 1 1 67 67 ASN HD21 H 1 6.935 0.024 . 2 . . . . 67 ASN HD21 . 17318 1 811 . 1 1 67 67 ASN HD22 H 1 7.423 0.024 . 2 . . . . 67 ASN HD22 . 17318 1 812 . 1 1 67 67 ASN C C 13 175.302 0.15 . 1 . . . . 67 ASN C . 17318 1 813 . 1 1 67 67 ASN CA C 13 52.704 0.15 . 1 . . . . 67 ASN CA . 17318 1 814 . 1 1 67 67 ASN CB C 13 39.685 0.15 . 1 . . . . 67 ASN CB . 17318 1 815 . 1 1 67 67 ASN N N 15 123.600 0.11 . 1 . . . . 67 ASN N . 17318 1 816 . 1 1 67 67 ASN ND2 N 15 108.461 0.11 . 1 . . . . 67 ASN ND2 . 17318 1 817 . 1 1 68 68 ALA H H 1 7.561 0.024 . 1 . . . . 68 ALA H . 17318 1 818 . 1 1 68 68 ALA HA H 1 4.467 0.024 . 1 . . . . 68 ALA HA . 17318 1 819 . 1 1 68 68 ALA HB1 H 1 1.257 0.024 . 1 . . . . 68 ALA QB . 17318 1 820 . 1 1 68 68 ALA HB2 H 1 1.257 0.024 . 1 . . . . 68 ALA QB . 17318 1 821 . 1 1 68 68 ALA HB3 H 1 1.257 0.024 . 1 . . . . 68 ALA QB . 17318 1 822 . 1 1 68 68 ALA C C 13 173.501 0.15 . 1 . . . . 68 ALA C . 17318 1 823 . 1 1 68 68 ALA CA C 13 51.859 0.15 . 1 . . . . 68 ALA CA . 17318 1 824 . 1 1 68 68 ALA CB C 13 21.502 0.15 . 1 . . . . 68 ALA CB . 17318 1 825 . 1 1 68 68 ALA N N 15 120.204 0.11 . 1 . . . . 68 ALA N . 17318 1 826 . 1 1 69 69 ILE H H 1 8.332 0.024 . 1 . . . . 69 ILE H . 17318 1 827 . 1 1 69 69 ILE HA H 1 4.448 0.024 . 1 . . . . 69 ILE HA . 17318 1 828 . 1 1 69 69 ILE HB H 1 1.634 0.024 . 1 . . . . 69 ILE HB . 17318 1 829 . 1 1 69 69 ILE HG12 H 1 1.401 0.024 . 2 . . . . 69 ILE HG12 . 17318 1 830 . 1 1 69 69 ILE HG13 H 1 0.687 0.024 . 2 . . . . 69 ILE HG13 . 17318 1 831 . 1 1 69 69 ILE HG21 H 1 0.687 0.024 . 1 . . . . 69 ILE QG2 . 17318 1 832 . 1 1 69 69 ILE HG22 H 1 0.687 0.024 . 1 . . . . 69 ILE QG2 . 17318 1 833 . 1 1 69 69 ILE HG23 H 1 0.687 0.024 . 1 . . . . 69 ILE QG2 . 17318 1 834 . 1 1 69 69 ILE HD11 H 1 0.683 0.024 . 1 . . . . 69 ILE QD1 . 17318 1 835 . 1 1 69 69 ILE HD12 H 1 0.683 0.024 . 1 . . . . 69 ILE QD1 . 17318 1 836 . 1 1 69 69 ILE HD13 H 1 0.683 0.024 . 1 . . . . 69 ILE QD1 . 17318 1 837 . 1 1 69 69 ILE C C 13 175.177 0.15 . 1 . . . . 69 ILE C . 17318 1 838 . 1 1 69 69 ILE CA C 13 60.610 0.15 . 1 . . . . 69 ILE CA . 17318 1 839 . 1 1 69 69 ILE CB C 13 39.974 0.15 . 1 . . . . 69 ILE CB . 17318 1 840 . 1 1 69 69 ILE CG1 C 13 26.853 0.15 . 1 . . . . 69 ILE CG1 . 17318 1 841 . 1 1 69 69 ILE CG2 C 13 17.503 0.15 . 1 . . . . 69 ILE CG2 . 17318 1 842 . 1 1 69 69 ILE CD1 C 13 14.561 0.15 . 1 . . . . 69 ILE CD1 . 17318 1 843 . 1 1 69 69 ILE N N 15 119.574 0.11 . 1 . . . . 69 ILE N . 17318 1 844 . 1 1 70 70 THR H H 1 8.932 0.024 . 1 . . . . 70 THR H . 17318 1 845 . 1 1 70 70 THR HA H 1 4.948 0.024 . 1 . . . . 70 THR HA . 17318 1 846 . 1 1 70 70 THR HB H 1 3.930 0.024 . 1 . . . . 70 THR HB . 17318 1 847 . 1 1 70 70 THR HG21 H 1 1.187 0.024 . 1 . . . . 70 THR QG2 . 17318 1 848 . 1 1 70 70 THR HG22 H 1 1.187 0.024 . 1 . . . . 70 THR QG2 . 17318 1 849 . 1 1 70 70 THR HG23 H 1 1.187 0.024 . 1 . . . . 70 THR QG2 . 17318 1 850 . 1 1 70 70 THR CA C 13 58.688 0.15 . 1 . . . . 70 THR CA . 17318 1 851 . 1 1 70 70 THR CB C 13 70.916 0.15 . 1 . . . . 70 THR CB . 17318 1 852 . 1 1 70 70 THR CG2 C 13 21.521 0.15 . 1 . . . . 70 THR CG2 . 17318 1 853 . 1 1 70 70 THR N N 15 124.234 0.11 . 1 . . . . 70 THR N . 17318 1 854 . 1 1 71 71 PRO HA H 1 4.534 0.024 . 1 . . . . 71 PRO HA . 17318 1 855 . 1 1 71 71 PRO HB2 H 1 2.479 0.024 . 2 . . . . 71 PRO QB . 17318 1 856 . 1 1 71 71 PRO HB3 H 1 2.479 0.024 . 2 . . . . 71 PRO QB . 17318 1 857 . 1 1 71 71 PRO HG2 H 1 2.236 0.024 . 2 . . . . 71 PRO HG2 . 17318 1 858 . 1 1 71 71 PRO HG3 H 1 1.977 0.024 . 2 . . . . 71 PRO HG3 . 17318 1 859 . 1 1 71 71 PRO HD2 H 1 3.971 0.024 . 2 . . . . 71 PRO HD2 . 17318 1 860 . 1 1 71 71 PRO HD3 H 1 3.886 0.024 . 2 . . . . 71 PRO HD3 . 17318 1 861 . 1 1 71 71 PRO C C 13 175.546 0.15 . 1 . . . . 71 PRO C . 17318 1 862 . 1 1 71 71 PRO CA C 13 63.606 0.15 . 1 . . . . 71 PRO CA . 17318 1 863 . 1 1 71 71 PRO CB C 13 32.371 0.15 . 1 . . . . 71 PRO CB . 17318 1 864 . 1 1 71 71 PRO CG C 13 27.486 0.15 . 1 . . . . 71 PRO CG . 17318 1 865 . 1 1 71 71 PRO CD C 13 51.468 0.15 . 1 . . . . 71 PRO CD . 17318 1 866 . 1 1 72 72 VAL H H 1 7.944 0.024 . 1 . . . . 72 VAL H . 17318 1 867 . 1 1 72 72 VAL HA H 1 3.951 0.024 . 1 . . . . 72 VAL HA . 17318 1 868 . 1 1 72 72 VAL HB H 1 1.330 0.024 . 1 . . . . 72 VAL HB . 17318 1 869 . 1 1 72 72 VAL HG11 H 1 0.705 0.024 . 2 . . . . 72 VAL QG1 . 17318 1 870 . 1 1 72 72 VAL HG12 H 1 0.705 0.024 . 2 . . . . 72 VAL QG1 . 17318 1 871 . 1 1 72 72 VAL HG13 H 1 0.705 0.024 . 2 . . . . 72 VAL QG1 . 17318 1 872 . 1 1 72 72 VAL HG21 H 1 0.704 0.024 . 2 . . . . 72 VAL QG2 . 17318 1 873 . 1 1 72 72 VAL HG22 H 1 0.704 0.024 . 2 . . . . 72 VAL QG2 . 17318 1 874 . 1 1 72 72 VAL HG23 H 1 0.704 0.024 . 2 . . . . 72 VAL QG2 . 17318 1 875 . 1 1 72 72 VAL C C 13 174.086 0.15 . 1 . . . . 72 VAL C . 17318 1 876 . 1 1 72 72 VAL CA C 13 61.498 0.15 . 1 . . . . 72 VAL CA . 17318 1 877 . 1 1 72 72 VAL CB C 13 32.477 0.15 . 1 . . . . 72 VAL CB . 17318 1 878 . 1 1 72 72 VAL CG1 C 13 20.381 0.15 . 2 . . . . 72 VAL CG1 . 17318 1 879 . 1 1 72 72 VAL CG2 C 13 20.470 0.15 . 2 . . . . 72 VAL CG2 . 17318 1 880 . 1 1 72 72 VAL N N 15 124.721 0.11 . 1 . . . . 72 VAL N . 17318 1 881 . 1 1 73 73 GLY H H 1 8.413 0.024 . 1 . . . . 73 GLY H . 17318 1 882 . 1 1 73 73 GLY HA2 H 1 3.703 0.024 . 2 . . . . 73 GLY HA2 . 17318 1 883 . 1 1 73 73 GLY HA3 H 1 3.852 0.024 . 2 . . . . 73 GLY HA3 . 17318 1 884 . 1 1 73 73 GLY CA C 13 46.256 0.15 . 1 . . . . 73 GLY CA . 17318 1 885 . 1 1 73 73 GLY N N 15 112.665 0.11 . 1 . . . . 73 GLY N . 17318 1 886 . 1 1 74 74 ASN H H 1 8.497 0.024 . 1 . . . . 74 ASN H . 17318 1 887 . 1 1 74 74 ASN HA H 1 5.011 0.024 . 1 . . . . 74 ASN HA . 17318 1 888 . 1 1 74 74 ASN HB2 H 1 2.933 0.024 . 2 . . . . 74 ASN HB2 . 17318 1 889 . 1 1 74 74 ASN HB3 H 1 2.771 0.024 . 2 . . . . 74 ASN HB3 . 17318 1 890 . 1 1 74 74 ASN HD21 H 1 6.906 0.024 . 2 . . . . 74 ASN HD21 . 17318 1 891 . 1 1 74 74 ASN HD22 H 1 7.563 0.024 . 2 . . . . 74 ASN HD22 . 17318 1 892 . 1 1 74 74 ASN C C 13 175.911 0.15 . 1 . . . . 74 ASN C . 17318 1 893 . 1 1 74 74 ASN CA C 13 52.040 0.15 . 1 . . . . 74 ASN CA . 17318 1 894 . 1 1 74 74 ASN CB C 13 38.859 0.15 . 1 . . . . 74 ASN CB . 17318 1 895 . 1 1 74 74 ASN N N 15 121.749 0.11 . 1 . . . . 74 ASN N . 17318 1 896 . 1 1 74 74 ASN ND2 N 15 110.420 0.11 . 1 . . . . 74 ASN ND2 . 17318 1 897 . 1 1 75 75 TYR H H 1 7.522 0.024 . 1 . . . . 75 TYR H . 17318 1 898 . 1 1 75 75 TYR HA H 1 4.055 0.024 . 1 . . . . 75 TYR HA . 17318 1 899 . 1 1 75 75 TYR HB2 H 1 2.901 0.024 . 2 . . . . 75 TYR HB2 . 17318 1 900 . 1 1 75 75 TYR HB3 H 1 2.765 0.024 . 2 . . . . 75 TYR HB3 . 17318 1 901 . 1 1 75 75 TYR HD1 H 1 7.023 0.024 . 3 . . . . 75 TYR QD . 17318 1 902 . 1 1 75 75 TYR HD2 H 1 7.023 0.024 . 3 . . . . 75 TYR QD . 17318 1 903 . 1 1 75 75 TYR HE1 H 1 6.746 0.024 . 3 . . . . 75 TYR QE . 17318 1 904 . 1 1 75 75 TYR HE2 H 1 6.746 0.024 . 3 . . . . 75 TYR QE . 17318 1 905 . 1 1 75 75 TYR C C 13 172.628 0.15 . 1 . . . . 75 TYR C . 17318 1 906 . 1 1 75 75 TYR CA C 13 55.462 0.15 . 1 . . . . 75 TYR CA . 17318 1 907 . 1 1 75 75 TYR CB C 13 39.722 0.15 . 1 . . . . 75 TYR CB . 17318 1 908 . 1 1 75 75 TYR CD1 C 13 133.851 0.15 . 3 . . . . 75 TYR CD1 . 17318 1 909 . 1 1 75 75 TYR CE1 C 13 117.874 0.15 . 3 . . . . 75 TYR CE1 . 17318 1 910 . 1 1 75 75 TYR N N 15 113.839 0.11 . 1 . . . . 75 TYR N . 17318 1 911 . 1 1 76 76 ALA H H 1 6.690 0.024 . 1 . . . . 76 ALA H . 17318 1 912 . 1 1 76 76 ALA HA H 1 4.132 0.024 . 1 . . . . 76 ALA HA . 17318 1 913 . 1 1 76 76 ALA HB1 H 1 0.827 0.024 . 1 . . . . 76 ALA QB . 17318 1 914 . 1 1 76 76 ALA HB2 H 1 0.827 0.024 . 1 . . . . 76 ALA QB . 17318 1 915 . 1 1 76 76 ALA HB3 H 1 0.827 0.024 . 1 . . . . 76 ALA QB . 17318 1 916 . 1 1 76 76 ALA C C 13 175.794 0.15 . 1 . . . . 76 ALA C . 17318 1 917 . 1 1 76 76 ALA CA C 13 50.992 0.15 . 1 . . . . 76 ALA CA . 17318 1 918 . 1 1 76 76 ALA CB C 13 22.498 0.15 . 1 . . . . 76 ALA CB . 17318 1 919 . 1 1 76 76 ALA N N 15 120.175 0.11 . 1 . . . . 76 ALA N . 17318 1 920 . 1 1 77 77 VAL H H 1 8.087 0.024 . 1 . . . . 77 VAL H . 17318 1 921 . 1 1 77 77 VAL HA H 1 4.880 0.024 . 1 . . . . 77 VAL HA . 17318 1 922 . 1 1 77 77 VAL HB H 1 1.914 0.024 . 1 . . . . 77 VAL HB . 17318 1 923 . 1 1 77 77 VAL HG11 H 1 0.850 0.024 . 2 . . . . 77 VAL QG1 . 17318 1 924 . 1 1 77 77 VAL HG12 H 1 0.850 0.024 . 2 . . . . 77 VAL QG1 . 17318 1 925 . 1 1 77 77 VAL HG13 H 1 0.850 0.024 . 2 . . . . 77 VAL QG1 . 17318 1 926 . 1 1 77 77 VAL HG21 H 1 0.957 0.024 . 2 . . . . 77 VAL QG2 . 17318 1 927 . 1 1 77 77 VAL HG22 H 1 0.957 0.024 . 2 . . . . 77 VAL QG2 . 17318 1 928 . 1 1 77 77 VAL HG23 H 1 0.957 0.024 . 2 . . . . 77 VAL QG2 . 17318 1 929 . 1 1 77 77 VAL C C 13 173.478 0.15 . 1 . . . . 77 VAL C . 17318 1 930 . 1 1 77 77 VAL CA C 13 59.146 0.15 . 1 . . . . 77 VAL CA . 17318 1 931 . 1 1 77 77 VAL CB C 13 35.610 0.15 . 1 . . . . 77 VAL CB . 17318 1 932 . 1 1 77 77 VAL CG1 C 13 18.619 0.15 . 2 . . . . 77 VAL CG1 . 17318 1 933 . 1 1 77 77 VAL CG2 C 13 21.915 0.15 . 2 . . . . 77 VAL CG2 . 17318 1 934 . 1 1 77 77 VAL N N 15 111.101 0.11 . 1 . . . . 77 VAL N . 17318 1 935 . 1 1 78 78 LYS H H 1 9.145 0.024 . 1 . . . . 78 LYS H . 17318 1 936 . 1 1 78 78 LYS HA H 1 5.119 0.024 . 1 . . . . 78 LYS HA . 17318 1 937 . 1 1 78 78 LYS HB2 H 1 1.699 0.024 . 2 . . . . 78 LYS HB2 . 17318 1 938 . 1 1 78 78 LYS HB3 H 1 1.492 0.024 . 2 . . . . 78 LYS HB3 . 17318 1 939 . 1 1 78 78 LYS HG2 H 1 1.310 0.024 . 2 . . . . 78 LYS HG2 . 17318 1 940 . 1 1 78 78 LYS HG3 H 1 1.145 0.024 . 2 . . . . 78 LYS HG3 . 17318 1 941 . 1 1 78 78 LYS HD2 H 1 1.616 0.024 . 2 . . . . 78 LYS QD . 17318 1 942 . 1 1 78 78 LYS HD3 H 1 1.616 0.024 . 2 . . . . 78 LYS QD . 17318 1 943 . 1 1 78 78 LYS HE2 H 1 2.781 0.024 . 2 . . . . 78 LYS HE2 . 17318 1 944 . 1 1 78 78 LYS HE3 H 1 2.816 0.024 . 2 . . . . 78 LYS HE3 . 17318 1 945 . 1 1 78 78 LYS CA C 13 54.921 0.15 . 1 . . . . 78 LYS CA . 17318 1 946 . 1 1 78 78 LYS CB C 13 33.767 0.15 . 1 . . . . 78 LYS CB . 17318 1 947 . 1 1 78 78 LYS CG C 13 24.422 0.15 . 1 . . . . 78 LYS CG . 17318 1 948 . 1 1 78 78 LYS CD C 13 29.107 0.15 . 1 . . . . 78 LYS CD . 17318 1 949 . 1 1 78 78 LYS CE C 13 41.566 0.15 . 1 . . . . 78 LYS CE . 17318 1 950 . 1 1 78 78 LYS N N 15 123.179 0.11 . 1 . . . . 78 LYS N . 17318 1 951 . 1 1 79 79 LEU HA H 1 4.698 0.024 . 1 . . . . 79 LEU HA . 17318 1 952 . 1 1 79 79 LEU HB2 H 1 0.323 0.024 . 2 . . . . 79 LEU HB2 . 17318 1 953 . 1 1 79 79 LEU HB3 H 1 1.663 0.024 . 2 . . . . 79 LEU HB3 . 17318 1 954 . 1 1 79 79 LEU HG H 1 1.268 0.024 . 1 . . . . 79 LEU HG . 17318 1 955 . 1 1 79 79 LEU HD11 H 1 0.092 0.024 . 2 . . . . 79 LEU QD1 . 17318 1 956 . 1 1 79 79 LEU HD12 H 1 0.092 0.024 . 2 . . . . 79 LEU QD1 . 17318 1 957 . 1 1 79 79 LEU HD13 H 1 0.092 0.024 . 2 . . . . 79 LEU QD1 . 17318 1 958 . 1 1 79 79 LEU HD21 H 1 0.551 0.024 . 2 . . . . 79 LEU QD2 . 17318 1 959 . 1 1 79 79 LEU HD22 H 1 0.551 0.024 . 2 . . . . 79 LEU QD2 . 17318 1 960 . 1 1 79 79 LEU HD23 H 1 0.551 0.024 . 2 . . . . 79 LEU QD2 . 17318 1 961 . 1 1 79 79 LEU CA C 13 52.895 0.15 . 1 . . . . 79 LEU CA . 17318 1 962 . 1 1 79 79 LEU CB C 13 42.110 0.15 . 1 . . . . 79 LEU CB . 17318 1 963 . 1 1 79 79 LEU CG C 13 26.946 0.15 . 1 . . . . 79 LEU CG . 17318 1 964 . 1 1 79 79 LEU CD1 C 13 24.875 0.15 . 2 . . . . 79 LEU CD1 . 17318 1 965 . 1 1 79 79 LEU CD2 C 13 24.646 0.15 . 2 . . . . 79 LEU CD2 . 17318 1 966 . 1 1 80 80 VAL H H 1 8.258 0.024 . 1 . . . . 80 VAL H . 17318 1 967 . 1 1 80 80 VAL HA H 1 4.434 0.024 . 1 . . . . 80 VAL HA . 17318 1 968 . 1 1 80 80 VAL HB H 1 2.009 0.024 . 1 . . . . 80 VAL HB . 17318 1 969 . 1 1 80 80 VAL HG11 H 1 0.980 0.024 . 2 . . . . 80 VAL QG1 . 17318 1 970 . 1 1 80 80 VAL HG12 H 1 0.980 0.024 . 2 . . . . 80 VAL QG1 . 17318 1 971 . 1 1 80 80 VAL HG13 H 1 0.980 0.024 . 2 . . . . 80 VAL QG1 . 17318 1 972 . 1 1 80 80 VAL HG21 H 1 0.859 0.024 . 2 . . . . 80 VAL QG2 . 17318 1 973 . 1 1 80 80 VAL HG22 H 1 0.859 0.024 . 2 . . . . 80 VAL QG2 . 17318 1 974 . 1 1 80 80 VAL HG23 H 1 0.859 0.024 . 2 . . . . 80 VAL QG2 . 17318 1 975 . 1 1 80 80 VAL C C 13 175.786 0.15 . 1 . . . . 80 VAL C . 17318 1 976 . 1 1 80 80 VAL CA C 13 61.746 0.15 . 1 . . . . 80 VAL CA . 17318 1 977 . 1 1 80 80 VAL CB C 13 31.893 0.15 . 1 . . . . 80 VAL CB . 17318 1 978 . 1 1 80 80 VAL CG1 C 13 21.256 0.15 . 2 . . . . 80 VAL CG1 . 17318 1 979 . 1 1 80 80 VAL CG2 C 13 20.033 0.15 . 2 . . . . 80 VAL CG2 . 17318 1 980 . 1 1 80 80 VAL N N 15 121.989 0.11 . 1 . . . . 80 VAL N . 17318 1 981 . 1 1 81 81 PHE H H 1 8.833 0.024 . 1 . . . . 81 PHE H . 17318 1 982 . 1 1 81 81 PHE HA H 1 5.277 0.024 . 1 . . . . 81 PHE HA . 17318 1 983 . 1 1 81 81 PHE HB2 H 1 3.141 0.024 . 2 . . . . 81 PHE HB2 . 17318 1 984 . 1 1 81 81 PHE HB3 H 1 3.865 0.024 . 2 . . . . 81 PHE HB3 . 17318 1 985 . 1 1 81 81 PHE HZ H 1 6.900 0.024 . 1 . . . . 81 PHE HZ . 17318 1 986 . 1 1 81 81 PHE CA C 13 57.693 0.15 . 1 . . . . 81 PHE CA . 17318 1 987 . 1 1 81 81 PHE CB C 13 41.916 0.15 . 1 . . . . 81 PHE CB . 17318 1 988 . 1 1 81 81 PHE CZ C 13 129.000 0.15 . 1 . . . . 81 PHE CZ . 17318 1 989 . 1 1 81 81 PHE N N 15 125.256 0.11 . 1 . . . . 81 PHE N . 17318 1 990 . 1 1 82 82 ASP H H 1 9.227 0.024 . 1 . . . . 82 ASP H . 17318 1 991 . 1 1 82 82 ASP HA H 1 4.414 0.024 . 1 . . . . 82 ASP HA . 17318 1 992 . 1 1 82 82 ASP HB2 H 1 3.257 0.024 . 2 . . . . 82 ASP HB2 . 17318 1 993 . 1 1 82 82 ASP HB3 H 1 2.557 0.024 . 2 . . . . 82 ASP HB3 . 17318 1 994 . 1 1 82 82 ASP C C 13 175.456 0.15 . 1 . . . . 82 ASP C . 17318 1 995 . 1 1 82 82 ASP CA C 13 54.486 0.15 . 1 . . . . 82 ASP CA . 17318 1 996 . 1 1 82 82 ASP CB C 13 39.401 0.15 . 1 . . . . 82 ASP CB . 17318 1 997 . 1 1 82 82 ASP N N 15 120.806 0.11 . 1 . . . . 82 ASP N . 17318 1 998 . 1 1 83 83 ASP H H 1 7.952 0.024 . 1 . . . . 83 ASP H . 17318 1 999 . 1 1 83 83 ASP HA H 1 4.744 0.024 . 1 . . . . 83 ASP HA . 17318 1 1000 . 1 1 83 83 ASP HB2 H 1 2.661 0.024 . 2 . . . . 83 ASP HB2 . 17318 1 1001 . 1 1 83 83 ASP HB3 H 1 3.093 0.024 . 2 . . . . 83 ASP HB3 . 17318 1 1002 . 1 1 83 83 ASP C C 13 177.516 0.15 . 1 . . . . 83 ASP C . 17318 1 1003 . 1 1 83 83 ASP CA C 13 52.886 0.15 . 1 . . . . 83 ASP CA . 17318 1 1004 . 1 1 83 83 ASP CB C 13 40.033 0.15 . 1 . . . . 83 ASP CB . 17318 1 1005 . 1 1 83 83 ASP N N 15 117.043 0.11 . 1 . . . . 83 ASP N . 17318 1 1006 . 1 1 84 84 GLY H H 1 7.970 0.024 . 1 . . . . 84 GLY H . 17318 1 1007 . 1 1 84 84 GLY HA2 H 1 4.392 0.024 . 2 . . . . 84 GLY HA2 . 17318 1 1008 . 1 1 84 84 GLY HA3 H 1 3.756 0.024 . 2 . . . . 84 GLY HA3 . 17318 1 1009 . 1 1 84 84 GLY CA C 13 44.710 0.15 . 1 . . . . 84 GLY CA . 17318 1 1010 . 1 1 84 84 GLY N N 15 108.061 0.11 . 1 . . . . 84 GLY N . 17318 1 1011 . 1 1 85 85 HIS H H 1 8.360 0.024 . 1 . . . . 85 HIS H . 17318 1 1012 . 1 1 85 85 HIS HA H 1 4.691 0.024 . 1 . . . . 85 HIS HA . 17318 1 1013 . 1 1 85 85 HIS HB2 H 1 2.948 0.024 . 2 . . . . 85 HIS HB2 . 17318 1 1014 . 1 1 85 85 HIS HB3 H 1 3.520 0.024 . 2 . . . . 85 HIS HB3 . 17318 1 1015 . 1 1 85 85 HIS CA C 13 57.670 0.15 . 1 . . . . 85 HIS CA . 17318 1 1016 . 1 1 85 85 HIS CB C 13 30.210 0.15 . 1 . . . . 85 HIS CB . 17318 1 1017 . 1 1 85 85 HIS N N 15 121.665 0.11 . 1 . . . . 85 HIS N . 17318 1 1018 . 1 1 86 86 ASP H H 1 8.230 0.024 . 1 . . . . 86 ASP H . 17318 1 1019 . 1 1 86 86 ASP HA H 1 5.258 0.024 . 1 . . . . 86 ASP HA . 17318 1 1020 . 1 1 86 86 ASP HB2 H 1 2.979 0.024 . 2 . . . . 86 ASP HB2 . 17318 1 1021 . 1 1 86 86 ASP HB3 H 1 2.526 0.024 . 2 . . . . 86 ASP HB3 . 17318 1 1022 . 1 1 86 86 ASP CA C 13 52.856 0.15 . 1 . . . . 86 ASP CA . 17318 1 1023 . 1 1 86 86 ASP CB C 13 42.012 0.15 . 1 . . . . 86 ASP CB . 17318 1 1024 . 1 1 86 86 ASP N N 15 126.695 0.11 . 1 . . . . 86 ASP N . 17318 1 1025 . 1 1 87 87 THR HA H 1 4.247 0.024 . 1 . . . . 87 THR HA . 17318 1 1026 . 1 1 87 87 THR HB H 1 4.442 0.024 . 1 . . . . 87 THR HB . 17318 1 1027 . 1 1 87 87 THR HG21 H 1 1.332 0.024 . 1 . . . . 87 THR QG2 . 17318 1 1028 . 1 1 87 87 THR HG22 H 1 1.332 0.024 . 1 . . . . 87 THR QG2 . 17318 1 1029 . 1 1 87 87 THR HG23 H 1 1.332 0.024 . 1 . . . . 87 THR QG2 . 17318 1 1030 . 1 1 87 87 THR C C 13 175.396 0.15 . 1 . . . . 87 THR C . 17318 1 1031 . 1 1 87 87 THR CA C 13 60.732 0.15 . 1 . . . . 87 THR CA . 17318 1 1032 . 1 1 87 87 THR CB C 13 69.805 0.15 . 1 . . . . 87 THR CB . 17318 1 1033 . 1 1 87 87 THR CG2 C 13 22.007 0.15 . 1 . . . . 87 THR CG2 . 17318 1 1034 . 1 1 88 88 GLY H H 1 8.875 0.024 . 1 . . . . 88 GLY H . 17318 1 1035 . 1 1 88 88 GLY HA2 H 1 3.903 0.024 . 2 . . . . 88 GLY HA2 . 17318 1 1036 . 1 1 88 88 GLY HA3 H 1 3.803 0.024 . 2 . . . . 88 GLY HA3 . 17318 1 1037 . 1 1 88 88 GLY CA C 13 46.163 0.15 . 1 . . . . 88 GLY CA . 17318 1 1038 . 1 1 88 88 GLY N N 15 112.645 0.11 . 1 . . . . 88 GLY N . 17318 1 1039 . 1 1 89 89 LEU H H 1 8.272 0.024 . 1 . . . . 89 LEU H . 17318 1 1040 . 1 1 89 89 LEU HA H 1 4.626 0.024 . 1 . . . . 89 LEU HA . 17318 1 1041 . 1 1 89 89 LEU HB2 H 1 1.454 0.024 . 2 . . . . 89 LEU HB2 . 17318 1 1042 . 1 1 89 89 LEU HB3 H 1 1.566 0.024 . 2 . . . . 89 LEU HB3 . 17318 1 1043 . 1 1 89 89 LEU HG H 1 1.354 0.024 . 1 . . . . 89 LEU HG . 17318 1 1044 . 1 1 89 89 LEU HD11 H 1 0.810 0.024 . 2 . . . . 89 LEU QD1 . 17318 1 1045 . 1 1 89 89 LEU HD12 H 1 0.810 0.024 . 2 . . . . 89 LEU QD1 . 17318 1 1046 . 1 1 89 89 LEU HD13 H 1 0.810 0.024 . 2 . . . . 89 LEU QD1 . 17318 1 1047 . 1 1 89 89 LEU HD21 H 1 0.779 0.024 . 2 . . . . 89 LEU QD2 . 17318 1 1048 . 1 1 89 89 LEU HD22 H 1 0.779 0.024 . 2 . . . . 89 LEU QD2 . 17318 1 1049 . 1 1 89 89 LEU HD23 H 1 0.779 0.024 . 2 . . . . 89 LEU QD2 . 17318 1 1050 . 1 1 89 89 LEU C C 13 175.347 0.15 . 1 . . . . 89 LEU C . 17318 1 1051 . 1 1 89 89 LEU CA C 13 53.998 0.15 . 1 . . . . 89 LEU CA . 17318 1 1052 . 1 1 89 89 LEU CB C 13 42.358 0.15 . 1 . . . . 89 LEU CB . 17318 1 1053 . 1 1 89 89 LEU CG C 13 27.417 0.15 . 1 . . . . 89 LEU CG . 17318 1 1054 . 1 1 89 89 LEU CD1 C 13 24.939 0.15 . 2 . . . . 89 LEU CD1 . 17318 1 1055 . 1 1 89 89 LEU CD2 C 13 24.946 0.15 . 2 . . . . 89 LEU CD2 . 17318 1 1056 . 1 1 89 89 LEU N N 15 127.240 0.11 . 1 . . . . 89 LEU N . 17318 1 1057 . 1 1 90 90 TYR H H 1 9.333 0.024 . 1 . . . . 90 TYR H . 17318 1 1058 . 1 1 90 90 TYR HA H 1 4.490 0.024 . 1 . . . . 90 TYR HA . 17318 1 1059 . 1 1 90 90 TYR HB2 H 1 3.244 0.024 . 2 . . . . 90 TYR HB2 . 17318 1 1060 . 1 1 90 90 TYR HB3 H 1 2.586 0.024 . 2 . . . . 90 TYR HB3 . 17318 1 1061 . 1 1 90 90 TYR HD1 H 1 7.094 0.024 . 3 . . . . 90 TYR QD . 17318 1 1062 . 1 1 90 90 TYR HD2 H 1 7.094 0.024 . 3 . . . . 90 TYR QD . 17318 1 1063 . 1 1 90 90 TYR HE1 H 1 6.977 0.024 . 3 . . . . 90 TYR QE . 17318 1 1064 . 1 1 90 90 TYR HE2 H 1 6.977 0.024 . 3 . . . . 90 TYR QE . 17318 1 1065 . 1 1 90 90 TYR C C 13 174.493 0.15 . 1 . . . . 90 TYR C . 17318 1 1066 . 1 1 90 90 TYR CA C 13 56.894 0.15 . 1 . . . . 90 TYR CA . 17318 1 1067 . 1 1 90 90 TYR CB C 13 37.435 0.15 . 1 . . . . 90 TYR CB . 17318 1 1068 . 1 1 90 90 TYR CD1 C 13 133.472 0.15 . 3 . . . . 90 TYR CD1 . 17318 1 1069 . 1 1 90 90 TYR CE1 C 13 117.837 0.15 . 3 . . . . 90 TYR CE1 . 17318 1 1070 . 1 1 90 90 TYR N N 15 125.955 0.11 . 1 . . . . 90 TYR N . 17318 1 1071 . 1 1 91 91 SER H H 1 7.648 0.024 . 1 . . . . 91 SER H . 17318 1 1072 . 1 1 91 91 SER HA H 1 4.819 0.024 . 1 . . . . 91 SER HA . 17318 1 1073 . 1 1 91 91 SER HB2 H 1 4.591 0.024 . 2 . . . . 91 SER HB2 . 17318 1 1074 . 1 1 91 91 SER HB3 H 1 4.123 0.024 . 2 . . . . 91 SER HB3 . 17318 1 1075 . 1 1 91 91 SER C C 13 174.896 0.15 . 1 . . . . 91 SER C . 17318 1 1076 . 1 1 91 91 SER CA C 13 56.836 0.15 . 1 . . . . 91 SER CA . 17318 1 1077 . 1 1 91 91 SER CB C 13 64.937 0.15 . 1 . . . . 91 SER CB . 17318 1 1078 . 1 1 91 91 SER N N 15 117.398 0.11 . 1 . . . . 91 SER N . 17318 1 1079 . 1 1 92 92 TRP H H 1 7.998 0.024 . 1 . . . . 92 TRP H . 17318 1 1080 . 1 1 92 92 TRP HA H 1 5.142 0.024 . 1 . . . . 92 TRP HA . 17318 1 1081 . 1 1 92 92 TRP HB2 H 1 3.828 0.024 . 2 . . . . 92 TRP HB2 . 17318 1 1082 . 1 1 92 92 TRP HB3 H 1 3.729 0.024 . 2 . . . . 92 TRP HB3 . 17318 1 1083 . 1 1 92 92 TRP HD1 H 1 7.628 0.024 . 1 . . . . 92 TRP HD1 . 17318 1 1084 . 1 1 92 92 TRP HE1 H 1 10.368 0.024 . 1 . . . . 92 TRP HE1 . 17318 1 1085 . 1 1 92 92 TRP HE3 H 1 7.400 0.024 . 1 . . . . 92 TRP HE3 . 17318 1 1086 . 1 1 92 92 TRP HZ2 H 1 7.303 0.024 . 1 . . . . 92 TRP HZ2 . 17318 1 1087 . 1 1 92 92 TRP HZ3 H 1 6.760 0.024 . 1 . . . . 92 TRP HZ3 . 17318 1 1088 . 1 1 92 92 TRP HH2 H 1 6.787 0.024 . 1 . . . . 92 TRP HH2 . 17318 1 1089 . 1 1 92 92 TRP C C 13 177.876 0.15 . 1 . . . . 92 TRP C . 17318 1 1090 . 1 1 92 92 TRP CA C 13 59.114 0.15 . 1 . . . . 92 TRP CA . 17318 1 1091 . 1 1 92 92 TRP CB C 13 30.386 0.15 . 1 . . . . 92 TRP CB . 17318 1 1092 . 1 1 92 92 TRP CD1 C 13 126.906 0.15 . 1 . . . . 92 TRP CD1 . 17318 1 1093 . 1 1 92 92 TRP CE3 C 13 122.300 0.15 . 1 . . . . 92 TRP CE3 . 17318 1 1094 . 1 1 92 92 TRP CZ2 C 13 115.737 0.15 . 1 . . . . 92 TRP CZ2 . 17318 1 1095 . 1 1 92 92 TRP CZ3 C 13 120.962 0.15 . 1 . . . . 92 TRP CZ3 . 17318 1 1096 . 1 1 92 92 TRP CH2 C 13 124.242 0.15 . 1 . . . . 92 TRP CH2 . 17318 1 1097 . 1 1 92 92 TRP N N 15 119.359 0.11 . 1 . . . . 92 TRP N . 17318 1 1098 . 1 1 92 92 TRP NE1 N 15 131.137 0.11 . 1 . . . . 92 TRP NE1 . 17318 1 1099 . 1 1 93 93 LYS H H 1 8.498 0.024 . 1 . . . . 93 LYS H . 17318 1 1100 . 1 1 93 93 LYS HA H 1 4.198 0.024 . 1 . . . . 93 LYS HA . 17318 1 1101 . 1 1 93 93 LYS HB2 H 1 1.872 0.024 . 2 . . . . 93 LYS HB2 . 17318 1 1102 . 1 1 93 93 LYS HB3 H 1 2.043 0.024 . 2 . . . . 93 LYS HB3 . 17318 1 1103 . 1 1 93 93 LYS HG2 H 1 1.504 0.024 . 2 . . . . 93 LYS HG2 . 17318 1 1104 . 1 1 93 93 LYS HG3 H 1 1.540 0.024 . 2 . . . . 93 LYS HG3 . 17318 1 1105 . 1 1 93 93 LYS HD2 H 1 1.831 0.024 . 2 . . . . 93 LYS HD2 . 17318 1 1106 . 1 1 93 93 LYS HE2 H 1 3.040 0.024 . 2 . . . . 93 LYS HE2 . 17318 1 1107 . 1 1 93 93 LYS HE3 H 1 3.084 0.024 . 2 . . . . 93 LYS HE3 . 17318 1 1108 . 1 1 93 93 LYS C C 13 177.831 0.15 . 1 . . . . 93 LYS C . 17318 1 1109 . 1 1 93 93 LYS CA C 13 59.495 0.15 . 1 . . . . 93 LYS CA . 17318 1 1110 . 1 1 93 93 LYS CB C 13 32.739 0.15 . 1 . . . . 93 LYS CB . 17318 1 1111 . 1 1 93 93 LYS CG C 13 24.826 0.15 . 1 . . . . 93 LYS CG . 17318 1 1112 . 1 1 93 93 LYS CD C 13 28.977 0.15 . 1 . . . . 93 LYS CD . 17318 1 1113 . 1 1 93 93 LYS CE C 13 42.268 0.15 . 1 . . . . 93 LYS CE . 17318 1 1114 . 1 1 93 93 LYS N N 15 117.984 0.11 . 1 . . . . 93 LYS N . 17318 1 1115 . 1 1 94 94 VAL H H 1 7.711 0.024 . 1 . . . . 94 VAL H . 17318 1 1116 . 1 1 94 94 VAL HA H 1 3.944 0.024 . 1 . . . . 94 VAL HA . 17318 1 1117 . 1 1 94 94 VAL HB H 1 2.416 0.024 . 1 . . . . 94 VAL HB . 17318 1 1118 . 1 1 94 94 VAL HG11 H 1 1.142 0.024 . 2 . . . . 94 VAL QG1 . 17318 1 1119 . 1 1 94 94 VAL HG12 H 1 1.142 0.024 . 2 . . . . 94 VAL QG1 . 17318 1 1120 . 1 1 94 94 VAL HG13 H 1 1.142 0.024 . 2 . . . . 94 VAL QG1 . 17318 1 1121 . 1 1 94 94 VAL HG21 H 1 1.237 0.024 . 2 . . . . 94 VAL QG2 . 17318 1 1122 . 1 1 94 94 VAL HG22 H 1 1.237 0.024 . 2 . . . . 94 VAL QG2 . 17318 1 1123 . 1 1 94 94 VAL HG23 H 1 1.237 0.024 . 2 . . . . 94 VAL QG2 . 17318 1 1124 . 1 1 94 94 VAL C C 13 178.685 0.15 . 1 . . . . 94 VAL C . 17318 1 1125 . 1 1 94 94 VAL CA C 13 66.027 0.15 . 1 . . . . 94 VAL CA . 17318 1 1126 . 1 1 94 94 VAL CB C 13 31.887 0.15 . 1 . . . . 94 VAL CB . 17318 1 1127 . 1 1 94 94 VAL CG1 C 13 21.294 0.15 . 2 . . . . 94 VAL CG1 . 17318 1 1128 . 1 1 94 94 VAL CG2 C 13 23.314 0.15 . 2 . . . . 94 VAL CG2 . 17318 1 1129 . 1 1 94 94 VAL N N 15 119.858 0.11 . 1 . . . . 94 VAL N . 17318 1 1130 . 1 1 95 95 LEU H H 1 8.658 0.024 . 1 . . . . 95 LEU H . 17318 1 1131 . 1 1 95 95 LEU HA H 1 4.111 0.024 . 1 . . . . 95 LEU HA . 17318 1 1132 . 1 1 95 95 LEU HB2 H 1 1.442 0.024 . 2 . . . . 95 LEU HB2 . 17318 1 1133 . 1 1 95 95 LEU HB3 H 1 2.296 0.024 . 2 . . . . 95 LEU HB3 . 17318 1 1134 . 1 1 95 95 LEU HG H 1 2.024 0.024 . 1 . . . . 95 LEU HG . 17318 1 1135 . 1 1 95 95 LEU HD11 H 1 0.717 0.024 . 2 . . . . 95 LEU QD1 . 17318 1 1136 . 1 1 95 95 LEU HD12 H 1 0.717 0.024 . 2 . . . . 95 LEU QD1 . 17318 1 1137 . 1 1 95 95 LEU HD13 H 1 0.717 0.024 . 2 . . . . 95 LEU QD1 . 17318 1 1138 . 1 1 95 95 LEU HD21 H 1 1.003 0.024 . 2 . . . . 95 LEU QD2 . 17318 1 1139 . 1 1 95 95 LEU HD22 H 1 1.003 0.024 . 2 . . . . 95 LEU QD2 . 17318 1 1140 . 1 1 95 95 LEU HD23 H 1 1.003 0.024 . 2 . . . . 95 LEU QD2 . 17318 1 1141 . 1 1 95 95 LEU C C 13 177.877 0.15 . 1 . . . . 95 LEU C . 17318 1 1142 . 1 1 95 95 LEU CA C 13 58.151 0.15 . 1 . . . . 95 LEU CA . 17318 1 1143 . 1 1 95 95 LEU CB C 13 41.772 0.15 . 1 . . . . 95 LEU CB . 17318 1 1144 . 1 1 95 95 LEU CG C 13 27.168 0.15 . 1 . . . . 95 LEU CG . 17318 1 1145 . 1 1 95 95 LEU CD1 C 13 22.801 0.15 . 2 . . . . 95 LEU CD1 . 17318 1 1146 . 1 1 95 95 LEU CD2 C 13 25.645 0.15 . 2 . . . . 95 LEU CD2 . 17318 1 1147 . 1 1 95 95 LEU N N 15 117.010 0.11 . 1 . . . . 95 LEU N . 17318 1 1148 . 1 1 96 96 TYR H H 1 9.010 0.024 . 1 . . . . 96 TYR H . 17318 1 1149 . 1 1 96 96 TYR HA H 1 3.699 0.024 . 1 . . . . 96 TYR HA . 17318 1 1150 . 1 1 96 96 TYR HB2 H 1 2.955 0.024 . 2 . . . . 96 TYR HB2 . 17318 1 1151 . 1 1 96 96 TYR HB3 H 1 2.840 0.024 . 2 . . . . 96 TYR HB3 . 17318 1 1152 . 1 1 96 96 TYR HD1 H 1 5.976 0.024 . 3 . . . . 96 TYR QD . 17318 1 1153 . 1 1 96 96 TYR HD2 H 1 5.976 0.024 . 3 . . . . 96 TYR QD . 17318 1 1154 . 1 1 96 96 TYR HE1 H 1 6.588 0.024 . 3 . . . . 96 TYR QE . 17318 1 1155 . 1 1 96 96 TYR HE2 H 1 6.588 0.024 . 3 . . . . 96 TYR QE . 17318 1 1156 . 1 1 96 96 TYR C C 13 178.255 0.15 . 1 . . . . 96 TYR C . 17318 1 1157 . 1 1 96 96 TYR CA C 13 62.349 0.15 . 1 . . . . 96 TYR CA . 17318 1 1158 . 1 1 96 96 TYR CB C 13 37.589 0.15 . 1 . . . . 96 TYR CB . 17318 1 1159 . 1 1 96 96 TYR CD1 C 13 132.156 0.15 . 3 . . . . 96 TYR CD1 . 17318 1 1160 . 1 1 96 96 TYR CE1 C 13 117.205 0.15 . 3 . . . . 96 TYR CE1 . 17318 1 1161 . 1 1 96 96 TYR N N 15 119.455 0.11 . 1 . . . . 96 TYR N . 17318 1 1162 . 1 1 97 97 ASP H H 1 8.628 0.024 . 1 . . . . 97 ASP H . 17318 1 1163 . 1 1 97 97 ASP HA H 1 4.048 0.024 . 1 . . . . 97 ASP HA . 17318 1 1164 . 1 1 97 97 ASP HB2 H 1 2.656 0.024 . 2 . . . . 97 ASP HB2 . 17318 1 1165 . 1 1 97 97 ASP HB3 H 1 2.841 0.024 . 2 . . . . 97 ASP HB3 . 17318 1 1166 . 1 1 97 97 ASP C C 13 178.010 0.15 . 1 . . . . 97 ASP C . 17318 1 1167 . 1 1 97 97 ASP CA C 13 57.504 0.15 . 1 . . . . 97 ASP CA . 17318 1 1168 . 1 1 97 97 ASP CB C 13 40.203 0.15 . 1 . . . . 97 ASP CB . 17318 1 1169 . 1 1 97 97 ASP N N 15 122.888 0.11 . 1 . . . . 97 ASP N . 17318 1 1170 . 1 1 98 98 LEU H H 1 8.203 0.024 . 1 . . . . 98 LEU H . 17318 1 1171 . 1 1 98 98 LEU HA H 1 3.713 0.024 . 1 . . . . 98 LEU HA . 17318 1 1172 . 1 1 98 98 LEU HB2 H 1 1.119 0.024 . 2 . . . . 98 LEU HB2 . 17318 1 1173 . 1 1 98 98 LEU HB3 H 1 1.746 0.024 . 2 . . . . 98 LEU HB3 . 17318 1 1174 . 1 1 98 98 LEU HG H 1 1.881 0.024 . 1 . . . . 98 LEU HG . 17318 1 1175 . 1 1 98 98 LEU HD11 H 1 0.844 0.024 . 2 . . . . 98 LEU QD1 . 17318 1 1176 . 1 1 98 98 LEU HD12 H 1 0.844 0.024 . 2 . . . . 98 LEU QD1 . 17318 1 1177 . 1 1 98 98 LEU HD13 H 1 0.844 0.024 . 2 . . . . 98 LEU QD1 . 17318 1 1178 . 1 1 98 98 LEU HD21 H 1 0.636 0.024 . 2 . . . . 98 LEU QD2 . 17318 1 1179 . 1 1 98 98 LEU HD22 H 1 0.636 0.024 . 2 . . . . 98 LEU QD2 . 17318 1 1180 . 1 1 98 98 LEU HD23 H 1 0.636 0.024 . 2 . . . . 98 LEU QD2 . 17318 1 1181 . 1 1 98 98 LEU C C 13 177.119 0.15 . 1 . . . . 98 LEU C . 17318 1 1182 . 1 1 98 98 LEU CA C 13 57.048 0.15 . 1 . . . . 98 LEU CA . 17318 1 1183 . 1 1 98 98 LEU CB C 13 42.293 0.15 . 1 . . . . 98 LEU CB . 17318 1 1184 . 1 1 98 98 LEU CG C 13 26.684 0.15 . 1 . . . . 98 LEU CG . 17318 1 1185 . 1 1 98 98 LEU CD1 C 13 25.817 0.15 . 2 . . . . 98 LEU CD1 . 17318 1 1186 . 1 1 98 98 LEU CD2 C 13 24.122 0.15 . 2 . . . . 98 LEU CD2 . 17318 1 1187 . 1 1 98 98 LEU N N 15 118.039 0.11 . 1 . . . . 98 LEU N . 17318 1 1188 . 1 1 99 99 ALA H H 1 8.047 0.024 . 1 . . . . 99 ALA H . 17318 1 1189 . 1 1 99 99 ALA HA H 1 3.575 0.024 . 1 . . . . 99 ALA HA . 17318 1 1190 . 1 1 99 99 ALA HB1 H 1 0.615 0.024 . 1 . . . . 99 ALA QB . 17318 1 1191 . 1 1 99 99 ALA HB2 H 1 0.615 0.024 . 1 . . . . 99 ALA QB . 17318 1 1192 . 1 1 99 99 ALA HB3 H 1 0.615 0.024 . 1 . . . . 99 ALA QB . 17318 1 1193 . 1 1 99 99 ALA C C 13 179.587 0.15 . 1 . . . . 99 ALA C . 17318 1 1194 . 1 1 99 99 ALA CA C 13 54.465 0.15 . 1 . . . . 99 ALA CA . 17318 1 1195 . 1 1 99 99 ALA CB C 13 17.447 0.15 . 1 . . . . 99 ALA CB . 17318 1 1196 . 1 1 99 99 ALA N N 15 115.886 0.11 . 1 . . . . 99 ALA N . 17318 1 1197 . 1 1 100 100 SER H H 1 7.964 0.024 . 1 . . . . 100 SER H . 17318 1 1198 . 1 1 100 100 SER HA H 1 3.637 0.024 . 1 . . . . 100 SER HA . 17318 1 1199 . 1 1 100 100 SER HB2 H 1 3.044 0.024 . 2 . . . . 100 SER HB2 . 17318 1 1200 . 1 1 100 100 SER HB3 H 1 3.558 0.024 . 2 . . . . 100 SER HB3 . 17318 1 1201 . 1 1 100 100 SER C C 13 174.780 0.15 . 1 . . . . 100 SER C . 17318 1 1202 . 1 1 100 100 SER CA C 13 60.624 0.15 . 1 . . . . 100 SER CA . 17318 1 1203 . 1 1 100 100 SER CB C 13 62.847 0.15 . 1 . . . . 100 SER CB . 17318 1 1204 . 1 1 100 100 SER N N 15 110.313 0.11 . 1 . . . . 100 SER N . 17318 1 1205 . 1 1 101 101 ASN H H 1 7.229 0.024 . 1 . . . . 101 ASN H . 17318 1 1206 . 1 1 101 101 ASN HA H 1 5.255 0.024 . 1 . . . . 101 ASN HA . 17318 1 1207 . 1 1 101 101 ASN HB2 H 1 3.022 0.024 . 2 . . . . 101 ASN HB2 . 17318 1 1208 . 1 1 101 101 ASN HB3 H 1 2.542 0.024 . 2 . . . . 101 ASN HB3 . 17318 1 1209 . 1 1 101 101 ASN HD21 H 1 6.929 0.024 . 2 . . . . 101 ASN HD21 . 17318 1 1210 . 1 1 101 101 ASN HD22 H 1 7.815 0.024 . 2 . . . . 101 ASN HD22 . 17318 1 1211 . 1 1 101 101 ASN C C 13 175.401 0.15 . 1 . . . . 101 ASN C . 17318 1 1212 . 1 1 101 101 ASN CA C 13 52.464 0.15 . 1 . . . . 101 ASN CA . 17318 1 1213 . 1 1 101 101 ASN CB C 13 38.950 0.15 . 1 . . . . 101 ASN CB . 17318 1 1214 . 1 1 101 101 ASN N N 15 117.306 0.11 . 1 . . . . 101 ASN N . 17318 1 1215 . 1 1 101 101 ASN ND2 N 15 116.234 0.11 . 1 . . . . 101 ASN ND2 . 17318 1 1216 . 1 1 102 102 GLN H H 1 6.828 0.024 . 1 . . . . 102 GLN H . 17318 1 1217 . 1 1 102 102 GLN HA H 1 3.980 0.024 . 1 . . . . 102 GLN HA . 17318 1 1218 . 1 1 102 102 GLN HB2 H 1 2.172 0.024 . 2 . . . . 102 GLN HB2 . 17318 1 1219 . 1 1 102 102 GLN HB3 H 1 2.463 0.024 . 2 . . . . 102 GLN HB3 . 17318 1 1220 . 1 1 102 102 GLN HG2 H 1 2.570 0.024 . 2 . . . . 102 GLN HG2 . 17318 1 1221 . 1 1 102 102 GLN HG3 H 1 2.241 0.024 . 2 . . . . 102 GLN HG3 . 17318 1 1222 . 1 1 102 102 GLN HE21 H 1 7.572 0.024 . 2 . . . . 102 GLN HE21 . 17318 1 1223 . 1 1 102 102 GLN HE22 H 1 7.274 0.024 . 2 . . . . 102 GLN HE22 . 17318 1 1224 . 1 1 102 102 GLN CA C 13 60.484 0.15 . 1 . . . . 102 GLN CA . 17318 1 1225 . 1 1 102 102 GLN CB C 13 29.492 0.15 . 1 . . . . 102 GLN CB . 17318 1 1226 . 1 1 102 102 GLN CG C 13 33.667 0.15 . 1 . . . . 102 GLN CG . 17318 1 1227 . 1 1 102 102 GLN N N 15 117.106 0.11 . 1 . . . . 102 GLN N . 17318 1 1228 . 1 1 102 102 GLN NE2 N 15 109.656 0.11 . 1 . . . . 102 GLN NE2 . 17318 1 1229 . 1 1 103 103 VAL H H 1 8.311 0.024 . 1 . . . . 103 VAL H . 17318 1 1230 . 1 1 103 103 VAL HA H 1 3.893 0.024 . 1 . . . . 103 VAL HA . 17318 1 1231 . 1 1 103 103 VAL HB H 1 2.056 0.024 . 1 . . . . 103 VAL HB . 17318 1 1232 . 1 1 103 103 VAL HG11 H 1 1.143 0.024 . 2 . . . . 103 VAL QG1 . 17318 1 1233 . 1 1 103 103 VAL HG12 H 1 1.143 0.024 . 2 . . . . 103 VAL QG1 . 17318 1 1234 . 1 1 103 103 VAL HG13 H 1 1.143 0.024 . 2 . . . . 103 VAL QG1 . 17318 1 1235 . 1 1 103 103 VAL HG21 H 1 1.071 0.024 . 2 . . . . 103 VAL QG2 . 17318 1 1236 . 1 1 103 103 VAL HG22 H 1 1.071 0.024 . 2 . . . . 103 VAL QG2 . 17318 1 1237 . 1 1 103 103 VAL HG23 H 1 1.071 0.024 . 2 . . . . 103 VAL QG2 . 17318 1 1238 . 1 1 103 103 VAL C C 13 178.106 0.15 . 1 . . . . 103 VAL C . 17318 1 1239 . 1 1 103 103 VAL CA C 13 67.286 0.15 . 1 . . . . 103 VAL CA . 17318 1 1240 . 1 1 103 103 VAL CB C 13 31.102 0.15 . 1 . . . . 103 VAL CB . 17318 1 1241 . 1 1 103 103 VAL CG1 C 13 22.947 0.15 . 2 . . . . 103 VAL CG1 . 17318 1 1242 . 1 1 103 103 VAL CG2 C 13 20.756 0.15 . 2 . . . . 103 VAL CG2 . 17318 1 1243 . 1 1 103 103 VAL N N 15 121.759 0.11 . 1 . . . . 103 VAL N . 17318 1 1244 . 1 1 104 104 ASP H H 1 8.144 0.024 . 1 . . . . 104 ASP H . 17318 1 1245 . 1 1 104 104 ASP HA H 1 4.498 0.024 . 1 . . . . 104 ASP HA . 17318 1 1246 . 1 1 104 104 ASP HB2 H 1 2.660 0.024 . 2 . . . . 104 ASP QB . 17318 1 1247 . 1 1 104 104 ASP HB3 H 1 2.660 0.024 . 2 . . . . 104 ASP QB . 17318 1 1248 . 1 1 104 104 ASP C C 13 179.510 0.15 . 1 . . . . 104 ASP C . 17318 1 1249 . 1 1 104 104 ASP CA C 13 57.176 0.15 . 1 . . . . 104 ASP CA . 17318 1 1250 . 1 1 104 104 ASP CB C 13 40.609 0.15 . 1 . . . . 104 ASP CB . 17318 1 1251 . 1 1 104 104 ASP N N 15 120.417 0.11 . 1 . . . . 104 ASP N . 17318 1 1252 . 1 1 105 105 LEU H H 1 8.571 0.024 . 1 . . . . 105 LEU H . 17318 1 1253 . 1 1 105 105 LEU HA H 1 4.145 0.024 . 1 . . . . 105 LEU HA . 17318 1 1254 . 1 1 105 105 LEU HB2 H 1 0.988 0.024 . 2 . . . . 105 LEU HB2 . 17318 1 1255 . 1 1 105 105 LEU HB3 H 1 1.563 0.024 . 2 . . . . 105 LEU HB3 . 17318 1 1256 . 1 1 105 105 LEU HG H 1 1.642 0.024 . 1 . . . . 105 LEU HG . 17318 1 1257 . 1 1 105 105 LEU HD11 H 1 0.578 0.024 . 2 . . . . 105 LEU QD1 . 17318 1 1258 . 1 1 105 105 LEU HD12 H 1 0.578 0.024 . 2 . . . . 105 LEU QD1 . 17318 1 1259 . 1 1 105 105 LEU HD13 H 1 0.578 0.024 . 2 . . . . 105 LEU QD1 . 17318 1 1260 . 1 1 105 105 LEU HD21 H 1 0.534 0.024 . 2 . . . . 105 LEU QD2 . 17318 1 1261 . 1 1 105 105 LEU HD22 H 1 0.534 0.024 . 2 . . . . 105 LEU QD2 . 17318 1 1262 . 1 1 105 105 LEU HD23 H 1 0.534 0.024 . 2 . . . . 105 LEU QD2 . 17318 1 1263 . 1 1 105 105 LEU C C 13 181.531 0.15 . 1 . . . . 105 LEU C . 17318 1 1264 . 1 1 105 105 LEU CA C 13 57.376 0.15 . 1 . . . . 105 LEU CA . 17318 1 1265 . 1 1 105 105 LEU CB C 13 40.806 0.15 . 1 . . . . 105 LEU CB . 17318 1 1266 . 1 1 105 105 LEU CG C 13 26.362 0.15 . 1 . . . . 105 LEU CG . 17318 1 1267 . 1 1 105 105 LEU CD1 C 13 21.331 0.15 . 2 . . . . 105 LEU CD1 . 17318 1 1268 . 1 1 105 105 LEU CD2 C 13 27.203 0.15 . 2 . . . . 105 LEU CD2 . 17318 1 1269 . 1 1 105 105 LEU N N 15 118.627 0.11 . 1 . . . . 105 LEU N . 17318 1 1270 . 1 1 106 106 TRP H H 1 9.049 0.024 . 1 . . . . 106 TRP H . 17318 1 1271 . 1 1 106 106 TRP HA H 1 4.960 0.024 . 1 . . . . 106 TRP HA . 17318 1 1272 . 1 1 106 106 TRP HB2 H 1 3.626 0.024 . 2 . . . . 106 TRP HB2 . 17318 1 1273 . 1 1 106 106 TRP HB3 H 1 3.606 0.024 . 2 . . . . 106 TRP HB3 . 17318 1 1274 . 1 1 106 106 TRP HD1 H 1 7.423 0.024 . 1 . . . . 106 TRP HD1 . 17318 1 1275 . 1 1 106 106 TRP HE1 H 1 10.390 0.024 . 1 . . . . 106 TRP HE1 . 17318 1 1276 . 1 1 106 106 TRP HE3 H 1 7.535 0.024 . 1 . . . . 106 TRP HE3 . 17318 1 1277 . 1 1 106 106 TRP HZ2 H 1 7.384 0.024 . 1 . . . . 106 TRP HZ2 . 17318 1 1278 . 1 1 106 106 TRP HZ3 H 1 6.598 0.024 . 1 . . . . 106 TRP HZ3 . 17318 1 1279 . 1 1 106 106 TRP HH2 H 1 7.275 0.024 . 1 . . . . 106 TRP HH2 . 17318 1 1280 . 1 1 106 106 TRP C C 13 176.644 0.15 . 1 . . . . 106 TRP C . 17318 1 1281 . 1 1 106 106 TRP CA C 13 59.677 0.15 . 1 . . . . 106 TRP CA . 17318 1 1282 . 1 1 106 106 TRP CB C 13 30.146 0.15 . 1 . . . . 106 TRP CB . 17318 1 1283 . 1 1 106 106 TRP CD1 C 13 127.503 0.15 . 1 . . . . 106 TRP CD1 . 17318 1 1284 . 1 1 106 106 TRP CE3 C 13 120.049 0.15 . 1 . . . . 106 TRP CE3 . 17318 1 1285 . 1 1 106 106 TRP CZ2 C 13 114.485 0.15 . 1 . . . . 106 TRP CZ2 . 17318 1 1286 . 1 1 106 106 TRP CZ3 C 13 120.962 0.15 . 1 . . . . 106 TRP CZ3 . 17318 1 1287 . 1 1 106 106 TRP CH2 C 13 123.637 0.15 . 1 . . . . 106 TRP CH2 . 17318 1 1288 . 1 1 106 106 TRP N N 15 125.685 0.11 . 1 . . . . 106 TRP N . 17318 1 1289 . 1 1 106 106 TRP NE1 N 15 129.317 0.11 . 1 . . . . 106 TRP NE1 . 17318 1 1290 . 1 1 107 107 GLU H H 1 8.292 0.024 . 1 . . . . 107 GLU H . 17318 1 1291 . 1 1 107 107 GLU HA H 1 3.937 0.024 . 1 . . . . 107 GLU HA . 17318 1 1292 . 1 1 107 107 GLU HB2 H 1 2.221 0.024 . 2 . . . . 107 GLU HB2 . 17318 1 1293 . 1 1 107 107 GLU HB3 H 1 2.153 0.024 . 2 . . . . 107 GLU HB3 . 17318 1 1294 . 1 1 107 107 GLU HG2 H 1 2.515 0.024 . 2 . . . . 107 GLU QG . 17318 1 1295 . 1 1 107 107 GLU HG3 H 1 2.515 0.024 . 2 . . . . 107 GLU QG . 17318 1 1296 . 1 1 107 107 GLU C C 13 179.735 0.15 . 1 . . . . 107 GLU C . 17318 1 1297 . 1 1 107 107 GLU CA C 13 59.352 0.15 . 1 . . . . 107 GLU CA . 17318 1 1298 . 1 1 107 107 GLU CB C 13 28.636 0.15 . 1 . . . . 107 GLU CB . 17318 1 1299 . 1 1 107 107 GLU CG C 13 35.849 0.15 . 1 . . . . 107 GLU CG . 17318 1 1300 . 1 1 107 107 GLU N N 15 117.407 0.11 . 1 . . . . 107 GLU N . 17318 1 1301 . 1 1 108 108 ASN H H 1 8.500 0.024 . 1 . . . . 108 ASN H . 17318 1 1302 . 1 1 108 108 ASN HA H 1 4.442 0.024 . 1 . . . . 108 ASN HA . 17318 1 1303 . 1 1 108 108 ASN HB2 H 1 3.003 0.024 . 2 . . . . 108 ASN HB2 . 17318 1 1304 . 1 1 108 108 ASN HB3 H 1 2.784 0.024 . 2 . . . . 108 ASN HB3 . 17318 1 1305 . 1 1 108 108 ASN HD21 H 1 7.031 0.024 . 2 . . . . 108 ASN HD21 . 17318 1 1306 . 1 1 108 108 ASN HD22 H 1 7.734 0.024 . 2 . . . . 108 ASN HD22 . 17318 1 1307 . 1 1 108 108 ASN C C 13 177.097 0.15 . 1 . . . . 108 ASN C . 17318 1 1308 . 1 1 108 108 ASN CA C 13 56.571 0.15 . 1 . . . . 108 ASN CA . 17318 1 1309 . 1 1 108 108 ASN CB C 13 39.302 0.15 . 1 . . . . 108 ASN CB . 17318 1 1310 . 1 1 108 108 ASN N N 15 117.595 0.11 . 1 . . . . 108 ASN N . 17318 1 1311 . 1 1 108 108 ASN ND2 N 15 112.502 0.11 . 1 . . . . 108 ASN ND2 . 17318 1 1312 . 1 1 109 109 TYR H H 1 7.757 0.024 . 1 . . . . 109 TYR H . 17318 1 1313 . 1 1 109 109 TYR HA H 1 4.135 0.024 . 1 . . . . 109 TYR HA . 17318 1 1314 . 1 1 109 109 TYR HB2 H 1 2.978 0.024 . 2 . . . . 109 TYR HB2 . 17318 1 1315 . 1 1 109 109 TYR HB3 H 1 3.104 0.024 . 2 . . . . 109 TYR HB3 . 17318 1 1316 . 1 1 109 109 TYR HE1 H 1 6.616 0.024 . 3 . . . . 109 TYR QE . 17318 1 1317 . 1 1 109 109 TYR HE2 H 1 6.616 0.024 . 3 . . . . 109 TYR QE . 17318 1 1318 . 1 1 109 109 TYR CA C 13 60.961 0.15 . 1 . . . . 109 TYR CA . 17318 1 1319 . 1 1 109 109 TYR CB C 13 37.628 0.15 . 1 . . . . 109 TYR CB . 17318 1 1320 . 1 1 109 109 TYR CE1 C 13 118.154 0.15 . 3 . . . . 109 TYR CE1 . 17318 1 1321 . 1 1 109 109 TYR N N 15 121.066 0.11 . 1 . . . . 109 TYR N . 17318 1 1322 . 1 1 110 110 LEU H H 1 8.134 0.024 . 1 . . . . 110 LEU H . 17318 1 1323 . 1 1 110 110 LEU HA H 1 3.354 0.024 . 1 . . . . 110 LEU HA . 17318 1 1324 . 1 1 110 110 LEU HB2 H 1 1.090 0.024 . 2 . . . . 110 LEU HB2 . 17318 1 1325 . 1 1 110 110 LEU HB3 H 1 1.700 0.024 . 2 . . . . 110 LEU HB3 . 17318 1 1326 . 1 1 110 110 LEU HG H 1 0.946 0.024 . 1 . . . . 110 LEU HG . 17318 1 1327 . 1 1 110 110 LEU HD11 H 1 0.402 0.024 . 2 . . . . 110 LEU QD1 . 17318 1 1328 . 1 1 110 110 LEU HD12 H 1 0.402 0.024 . 2 . . . . 110 LEU QD1 . 17318 1 1329 . 1 1 110 110 LEU HD13 H 1 0.402 0.024 . 2 . . . . 110 LEU QD1 . 17318 1 1330 . 1 1 110 110 LEU HD21 H 1 0.690 0.024 . 2 . . . . 110 LEU QD2 . 17318 1 1331 . 1 1 110 110 LEU HD22 H 1 0.690 0.024 . 2 . . . . 110 LEU QD2 . 17318 1 1332 . 1 1 110 110 LEU HD23 H 1 0.690 0.024 . 2 . . . . 110 LEU QD2 . 17318 1 1333 . 1 1 110 110 LEU C C 13 180.036 0.15 . 1 . . . . 110 LEU C . 17318 1 1334 . 1 1 110 110 LEU CA C 13 57.446 0.15 . 1 . . . . 110 LEU CA . 17318 1 1335 . 1 1 110 110 LEU CB C 13 40.653 0.15 . 1 . . . . 110 LEU CB . 17318 1 1336 . 1 1 110 110 LEU CG C 13 25.530 0.15 . 1 . . . . 110 LEU CG . 17318 1 1337 . 1 1 110 110 LEU CD1 C 13 21.740 0.15 . 2 . . . . 110 LEU CD1 . 17318 1 1338 . 1 1 110 110 LEU CD2 C 13 25.440 0.15 . 2 . . . . 110 LEU CD2 . 17318 1 1339 . 1 1 110 110 LEU N N 15 117.246 0.11 . 1 . . . . 110 LEU N . 17318 1 1340 . 1 1 111 111 ALA H H 1 8.092 0.024 . 1 . . . . 111 ALA H . 17318 1 1341 . 1 1 111 111 ALA HA H 1 3.974 0.024 . 1 . . . . 111 ALA HA . 17318 1 1342 . 1 1 111 111 ALA HB1 H 1 1.490 0.024 . 1 . . . . 111 ALA QB . 17318 1 1343 . 1 1 111 111 ALA HB2 H 1 1.490 0.024 . 1 . . . . 111 ALA QB . 17318 1 1344 . 1 1 111 111 ALA HB3 H 1 1.490 0.024 . 1 . . . . 111 ALA QB . 17318 1 1345 . 1 1 111 111 ALA C C 13 180.976 0.15 . 1 . . . . 111 ALA C . 17318 1 1346 . 1 1 111 111 ALA CA C 13 54.932 0.15 . 1 . . . . 111 ALA CA . 17318 1 1347 . 1 1 111 111 ALA CB C 13 17.706 0.15 . 1 . . . . 111 ALA CB . 17318 1 1348 . 1 1 111 111 ALA N N 15 120.953 0.11 . 1 . . . . 111 ALA N . 17318 1 1349 . 1 1 112 112 ARG H H 1 7.992 0.024 . 1 . . . . 112 ARG H . 17318 1 1350 . 1 1 112 112 ARG HA H 1 3.937 0.024 . 1 . . . . 112 ARG HA . 17318 1 1351 . 1 1 112 112 ARG HB2 H 1 1.682 0.024 . 2 . . . . 112 ARG HB2 . 17318 1 1352 . 1 1 112 112 ARG HB3 H 1 1.921 0.024 . 2 . . . . 112 ARG HB3 . 17318 1 1353 . 1 1 112 112 ARG HG2 H 1 1.584 0.024 . 2 . . . . 112 ARG HG2 . 17318 1 1354 . 1 1 112 112 ARG HG3 H 1 1.915 0.024 . 2 . . . . 112 ARG HG3 . 17318 1 1355 . 1 1 112 112 ARG HD2 H 1 3.203 0.024 . 2 . . . . 112 ARG QD . 17318 1 1356 . 1 1 112 112 ARG HD3 H 1 3.203 0.024 . 2 . . . . 112 ARG QD . 17318 1 1357 . 1 1 112 112 ARG HE H 1 7.016 0.024 . 1 . . . . 112 ARG HE . 17318 1 1358 . 1 1 112 112 ARG C C 13 179.696 0.15 . 1 . . . . 112 ARG C . 17318 1 1359 . 1 1 112 112 ARG CA C 13 59.546 0.15 . 1 . . . . 112 ARG CA . 17318 1 1360 . 1 1 112 112 ARG CB C 13 30.593 0.15 . 1 . . . . 112 ARG CB . 17318 1 1361 . 1 1 112 112 ARG CG C 13 28.502 0.15 . 1 . . . . 112 ARG CG . 17318 1 1362 . 1 1 112 112 ARG CD C 13 43.808 0.15 . 1 . . . . 112 ARG CD . 17318 1 1363 . 1 1 112 112 ARG N N 15 120.928 0.11 . 1 . . . . 112 ARG N . 17318 1 1364 . 1 1 112 112 ARG NE N 15 85.500 0.11 . 1 . . . . 112 ARG NE . 17318 1 1365 . 1 1 113 113 LEU H H 1 8.287 0.024 . 1 . . . . 113 LEU H . 17318 1 1366 . 1 1 113 113 LEU HA H 1 3.585 0.024 . 1 . . . . 113 LEU HA . 17318 1 1367 . 1 1 113 113 LEU HB2 H 1 1.139 0.024 . 2 . . . . 113 LEU HB2 . 17318 1 1368 . 1 1 113 113 LEU HB3 H 1 1.428 0.024 . 2 . . . . 113 LEU HB3 . 17318 1 1369 . 1 1 113 113 LEU HG H 1 0.871 0.024 . 1 . . . . 113 LEU HG . 17318 1 1370 . 1 1 113 113 LEU HD11 H 1 0.329 0.024 . 2 . . . . 113 LEU QD1 . 17318 1 1371 . 1 1 113 113 LEU HD12 H 1 0.329 0.024 . 2 . . . . 113 LEU QD1 . 17318 1 1372 . 1 1 113 113 LEU HD13 H 1 0.329 0.024 . 2 . . . . 113 LEU QD1 . 17318 1 1373 . 1 1 113 113 LEU HD21 H 1 0.418 0.024 . 2 . . . . 113 LEU QD2 . 17318 1 1374 . 1 1 113 113 LEU HD22 H 1 0.418 0.024 . 2 . . . . 113 LEU QD2 . 17318 1 1375 . 1 1 113 113 LEU HD23 H 1 0.418 0.024 . 2 . . . . 113 LEU QD2 . 17318 1 1376 . 1 1 113 113 LEU C C 13 179.101 0.15 . 1 . . . . 113 LEU C . 17318 1 1377 . 1 1 113 113 LEU CA C 13 58.032 0.15 . 1 . . . . 113 LEU CA . 17318 1 1378 . 1 1 113 113 LEU CB C 13 41.583 0.15 . 1 . . . . 113 LEU CB . 17318 1 1379 . 1 1 113 113 LEU CG C 13 25.402 0.15 . 1 . . . . 113 LEU CG . 17318 1 1380 . 1 1 113 113 LEU CD1 C 13 26.985 0.15 . 2 . . . . 113 LEU CD1 . 17318 1 1381 . 1 1 113 113 LEU CD2 C 13 23.934 0.15 . 2 . . . . 113 LEU CD2 . 17318 1 1382 . 1 1 113 113 LEU N N 15 120.531 0.11 . 1 . . . . 113 LEU N . 17318 1 1383 . 1 1 114 114 ARG H H 1 7.892 0.024 . 1 . . . . 114 ARG H . 17318 1 1384 . 1 1 114 114 ARG HA H 1 4.066 0.024 . 1 . . . . 114 ARG HA . 17318 1 1385 . 1 1 114 114 ARG HB2 H 1 1.803 0.024 . 2 . . . . 114 ARG HB2 . 17318 1 1386 . 1 1 114 114 ARG HB3 H 1 1.888 0.024 . 2 . . . . 114 ARG HB3 . 17318 1 1387 . 1 1 114 114 ARG HG2 H 1 1.522 0.024 . 2 . . . . 114 ARG HG2 . 17318 1 1388 . 1 1 114 114 ARG HG3 H 1 1.796 0.024 . 2 . . . . 114 ARG HG3 . 17318 1 1389 . 1 1 114 114 ARG HD2 H 1 3.261 0.024 . 2 . . . . 114 ARG HD2 . 17318 1 1390 . 1 1 114 114 ARG HD3 H 1 3.145 0.024 . 2 . . . . 114 ARG HD3 . 17318 1 1391 . 1 1 114 114 ARG C C 13 180.443 0.15 . 1 . . . . 114 ARG C . 17318 1 1392 . 1 1 114 114 ARG CA C 13 59.178 0.15 . 1 . . . . 114 ARG CA . 17318 1 1393 . 1 1 114 114 ARG CB C 13 30.052 0.15 . 1 . . . . 114 ARG CB . 17318 1 1394 . 1 1 114 114 ARG CG C 13 27.751 0.15 . 1 . . . . 114 ARG CG . 17318 1 1395 . 1 1 114 114 ARG CD C 13 43.452 0.15 . 1 . . . . 114 ARG CD . 17318 1 1396 . 1 1 114 114 ARG N N 15 117.654 0.11 . 1 . . . . 114 ARG N . 17318 1 1397 . 1 1 115 115 ALA H H 1 7.865 0.024 . 1 . . . . 115 ALA H . 17318 1 1398 . 1 1 115 115 ALA HA H 1 4.099 0.024 . 1 . . . . 115 ALA HA . 17318 1 1399 . 1 1 115 115 ALA HB1 H 1 1.460 0.024 . 1 . . . . 115 ALA QB . 17318 1 1400 . 1 1 115 115 ALA HB2 H 1 1.460 0.024 . 1 . . . . 115 ALA QB . 17318 1 1401 . 1 1 115 115 ALA HB3 H 1 1.460 0.024 . 1 . . . . 115 ALA QB . 17318 1 1402 . 1 1 115 115 ALA C C 13 178.381 0.15 . 1 . . . . 115 ALA C . 17318 1 1403 . 1 1 115 115 ALA CA C 13 54.429 0.15 . 1 . . . . 115 ALA CA . 17318 1 1404 . 1 1 115 115 ALA CB C 13 18.000 0.15 . 1 . . . . 115 ALA CB . 17318 1 1405 . 1 1 115 115 ALA N N 15 121.826 0.11 . 1 . . . . 115 ALA N . 17318 1 1406 . 1 1 116 116 ALA H H 1 7.387 0.024 . 1 . . . . 116 ALA H . 17318 1 1407 . 1 1 116 116 ALA HA H 1 4.283 0.024 . 1 . . . . 116 ALA HA . 17318 1 1408 . 1 1 116 116 ALA HB1 H 1 1.294 0.024 . 1 . . . . 116 ALA QB . 17318 1 1409 . 1 1 116 116 ALA HB2 H 1 1.294 0.024 . 1 . . . . 116 ALA QB . 17318 1 1410 . 1 1 116 116 ALA HB3 H 1 1.294 0.024 . 1 . . . . 116 ALA QB . 17318 1 1411 . 1 1 116 116 ALA C C 13 176.083 0.15 . 1 . . . . 116 ALA C . 17318 1 1412 . 1 1 116 116 ALA CA C 13 51.550 0.15 . 1 . . . . 116 ALA CA . 17318 1 1413 . 1 1 116 116 ALA CB C 13 19.159 0.15 . 1 . . . . 116 ALA CB . 17318 1 1414 . 1 1 116 116 ALA N N 15 117.465 0.11 . 1 . . . . 116 ALA N . 17318 1 1415 . 1 1 117 117 LYS H H 1 7.827 0.024 . 1 . . . . 117 LYS H . 17318 1 1416 . 1 1 117 117 LYS HA H 1 3.878 0.024 . 1 . . . . 117 LYS HA . 17318 1 1417 . 1 1 117 117 LYS HB2 H 1 2.027 0.024 . 2 . . . . 117 LYS HB2 . 17318 1 1418 . 1 1 117 117 LYS HB3 H 1 1.890 0.024 . 2 . . . . 117 LYS HB3 . 17318 1 1419 . 1 1 117 117 LYS HG2 H 1 1.370 0.024 . 2 . . . . 117 LYS QG . 17318 1 1420 . 1 1 117 117 LYS HG3 H 1 1.370 0.024 . 2 . . . . 117 LYS QG . 17318 1 1421 . 1 1 117 117 LYS HD2 H 1 1.665 0.024 . 2 . . . . 117 LYS HD2 . 17318 1 1422 . 1 1 117 117 LYS HD3 H 1 1.729 0.024 . 2 . . . . 117 LYS HD3 . 17318 1 1423 . 1 1 117 117 LYS HE2 H 1 3.012 0.024 . 2 . . . . 117 LYS QE . 17318 1 1424 . 1 1 117 117 LYS HE3 H 1 3.012 0.024 . 2 . . . . 117 LYS QE . 17318 1 1425 . 1 1 117 117 LYS CA C 13 56.860 0.15 . 1 . . . . 117 LYS CA . 17318 1 1426 . 1 1 117 117 LYS CB C 13 28.983 0.15 . 1 . . . . 117 LYS CB . 17318 1 1427 . 1 1 117 117 LYS CG C 13 24.990 0.15 . 1 . . . . 117 LYS CG . 17318 1 1428 . 1 1 117 117 LYS CD C 13 29.120 0.15 . 1 . . . . 117 LYS CD . 17318 1 1429 . 1 1 117 117 LYS CE C 13 42.205 0.15 . 1 . . . . 117 LYS CE . 17318 1 1430 . 1 1 117 117 LYS N N 15 116.782 0.11 . 1 . . . . 117 LYS N . 17318 1 1431 . 1 1 118 118 ALA H H 1 8.097 0.024 . 1 . . . . 118 ALA H . 17318 1 1432 . 1 1 118 118 ALA HA H 1 4.703 0.024 . 1 . . . . 118 ALA HA . 17318 1 1433 . 1 1 118 118 ALA HB1 H 1 1.257 0.024 . 1 . . . . 118 ALA QB . 17318 1 1434 . 1 1 118 118 ALA HB2 H 1 1.257 0.024 . 1 . . . . 118 ALA QB . 17318 1 1435 . 1 1 118 118 ALA HB3 H 1 1.257 0.024 . 1 . . . . 118 ALA QB . 17318 1 1436 . 1 1 118 118 ALA C C 13 175.666 0.15 . 1 . . . . 118 ALA C . 17318 1 1437 . 1 1 118 118 ALA CA C 13 50.174 0.15 . 1 . . . . 118 ALA CA . 17318 1 1438 . 1 1 118 118 ALA CB C 13 22.587 0.15 . 1 . . . . 118 ALA CB . 17318 1 1439 . 1 1 118 118 ALA N N 15 120.465 0.11 . 1 . . . . 118 ALA N . 17318 1 1440 . 1 1 119 119 SER H H 1 7.798 0.024 . 1 . . . . 119 SER H . 17318 1 1441 . 1 1 119 119 SER HA H 1 4.768 0.024 . 1 . . . . 119 SER HA . 17318 1 1442 . 1 1 119 119 SER HB2 H 1 3.856 0.024 . 2 . . . . 119 SER HB2 . 17318 1 1443 . 1 1 119 119 SER HB3 H 1 3.458 0.024 . 2 . . . . 119 SER HB3 . 17318 1 1444 . 1 1 119 119 SER C C 13 174.410 0.15 . 1 . . . . 119 SER C . 17318 1 1445 . 1 1 119 119 SER CA C 13 55.812 0.15 . 1 . . . . 119 SER CA . 17318 1 1446 . 1 1 119 119 SER CB C 13 65.527 0.15 . 1 . . . . 119 SER CB . 17318 1 1447 . 1 1 119 119 SER N N 15 110.223 0.11 . 1 . . . . 119 SER N . 17318 1 1448 . 1 1 120 120 ARG H H 1 8.871 0.024 . 1 . . . . 120 ARG H . 17318 1 1449 . 1 1 120 120 ARG HA H 1 4.497 0.024 . 1 . . . . 120 ARG HA . 17318 1 1450 . 1 1 120 120 ARG HB2 H 1 2.320 0.024 . 2 . . . . 120 ARG HB2 . 17318 1 1451 . 1 1 120 120 ARG HB3 H 1 1.650 0.024 . 2 . . . . 120 ARG HB3 . 17318 1 1452 . 1 1 120 120 ARG HG2 H 1 1.976 0.024 . 2 . . . . 120 ARG HG2 . 17318 1 1453 . 1 1 120 120 ARG HG3 H 1 1.638 0.024 . 2 . . . . 120 ARG HG3 . 17318 1 1454 . 1 1 120 120 ARG HD2 H 1 3.084 0.024 . 2 . . . . 120 ARG QD . 17318 1 1455 . 1 1 120 120 ARG HD3 H 1 3.084 0.024 . 2 . . . . 120 ARG QD . 17318 1 1456 . 1 1 120 120 ARG HE H 1 9.791 0.024 . 1 . . . . 120 ARG HE . 17318 1 1457 . 1 1 120 120 ARG C C 13 176.727 0.15 . 1 . . . . 120 ARG C . 17318 1 1458 . 1 1 120 120 ARG CA C 13 56.194 0.15 . 1 . . . . 120 ARG CA . 17318 1 1459 . 1 1 120 120 ARG CB C 13 33.248 0.15 . 1 . . . . 120 ARG CB . 17318 1 1460 . 1 1 120 120 ARG CG C 13 26.201 0.15 . 1 . . . . 120 ARG CG . 17318 1 1461 . 1 1 120 120 ARG CD C 13 43.925 0.15 . 1 . . . . 120 ARG CD . 17318 1 1462 . 1 1 120 120 ARG N N 15 122.763 0.11 . 1 . . . . 120 ARG N . 17318 1 1463 . 1 1 120 120 ARG NE N 15 84.134 0.11 . 1 . . . . 120 ARG NE . 17318 1 1464 . 1 1 121 121 GLU H H 1 8.456 0.024 . 1 . . . . 121 GLU H . 17318 1 1465 . 1 1 121 121 GLU HA H 1 4.190 0.024 . 1 . . . . 121 GLU HA . 17318 1 1466 . 1 1 121 121 GLU HB2 H 1 2.162 0.024 . 2 . . . . 121 GLU HB2 . 17318 1 1467 . 1 1 121 121 GLU HB3 H 1 1.855 0.024 . 2 . . . . 121 GLU HB3 . 17318 1 1468 . 1 1 121 121 GLU HG2 H 1 2.310 0.024 . 2 . . . . 121 GLU HG2 . 17318 1 1469 . 1 1 121 121 GLU HG3 H 1 2.432 0.024 . 2 . . . . 121 GLU HG3 . 17318 1 1470 . 1 1 121 121 GLU CA C 13 55.158 0.15 . 1 . . . . 121 GLU CA . 17318 1 1471 . 1 1 121 121 GLU CB C 13 28.323 0.15 . 1 . . . . 121 GLU CB . 17318 1 1472 . 1 1 121 121 GLU CG C 13 35.586 0.15 . 1 . . . . 121 GLU CG . 17318 1 1473 . 1 1 121 121 GLU N N 15 117.290 0.11 . 1 . . . . 121 GLU N . 17318 1 1474 . 1 1 122 122 PRO HA H 1 4.381 0.024 . 1 . . . . 122 PRO HA . 17318 1 1475 . 1 1 122 122 PRO HB2 H 1 2.312 0.024 . 2 . . . . 122 PRO HB2 . 17318 1 1476 . 1 1 122 122 PRO HB3 H 1 1.865 0.024 . 2 . . . . 122 PRO HB3 . 17318 1 1477 . 1 1 122 122 PRO HG2 H 1 2.065 0.024 . 2 . . . . 122 PRO HG2 . 17318 1 1478 . 1 1 122 122 PRO HG3 H 1 1.965 0.024 . 2 . . . . 122 PRO HG3 . 17318 1 1479 . 1 1 122 122 PRO HD2 H 1 3.593 0.024 . 2 . . . . 122 PRO HD2 . 17318 1 1480 . 1 1 122 122 PRO HD3 H 1 3.834 0.024 . 2 . . . . 122 PRO HD3 . 17318 1 1481 . 1 1 122 122 PRO C C 13 176.468 0.15 . 1 . . . . 122 PRO C . 17318 1 1482 . 1 1 122 122 PRO CA C 13 62.764 0.15 . 1 . . . . 122 PRO CA . 17318 1 1483 . 1 1 122 122 PRO CB C 13 32.031 0.15 . 1 . . . . 122 PRO CB . 17318 1 1484 . 1 1 122 122 PRO CG C 13 27.564 0.15 . 1 . . . . 122 PRO CG . 17318 1 1485 . 1 1 122 122 PRO CD C 13 50.133 0.15 . 1 . . . . 122 PRO CD . 17318 1 1486 . 1 1 123 123 LEU H H 1 8.489 0.024 . 1 . . . . 123 LEU H . 17318 1 1487 . 1 1 123 123 LEU HA H 1 4.166 0.024 . 1 . . . . 123 LEU HA . 17318 1 1488 . 1 1 123 123 LEU HB2 H 1 1.394 0.024 . 2 . . . . 123 LEU HB2 . 17318 1 1489 . 1 1 123 123 LEU HB3 H 1 1.342 0.024 . 2 . . . . 123 LEU HB3 . 17318 1 1490 . 1 1 123 123 LEU HG H 1 1.188 0.024 . 1 . . . . 123 LEU HG . 17318 1 1491 . 1 1 123 123 LEU HD11 H 1 0.531 0.024 . 2 . . . . 123 LEU QD1 . 17318 1 1492 . 1 1 123 123 LEU HD12 H 1 0.531 0.024 . 2 . . . . 123 LEU QD1 . 17318 1 1493 . 1 1 123 123 LEU HD13 H 1 0.531 0.024 . 2 . . . . 123 LEU QD1 . 17318 1 1494 . 1 1 123 123 LEU HD21 H 1 0.707 0.024 . 2 . . . . 123 LEU QD2 . 17318 1 1495 . 1 1 123 123 LEU HD22 H 1 0.707 0.024 . 2 . . . . 123 LEU QD2 . 17318 1 1496 . 1 1 123 123 LEU HD23 H 1 0.707 0.024 . 2 . . . . 123 LEU QD2 . 17318 1 1497 . 1 1 123 123 LEU C C 13 176.915 0.15 . 1 . . . . 123 LEU C . 17318 1 1498 . 1 1 123 123 LEU CA C 13 54.784 0.15 . 1 . . . . 123 LEU CA . 17318 1 1499 . 1 1 123 123 LEU CB C 13 42.079 0.15 . 1 . . . . 123 LEU CB . 17318 1 1500 . 1 1 123 123 LEU CG C 13 26.814 0.15 . 1 . . . . 123 LEU CG . 17318 1 1501 . 1 1 123 123 LEU CD1 C 13 22.948 0.15 . 2 . . . . 123 LEU CD1 . 17318 1 1502 . 1 1 123 123 LEU CD2 C 13 24.567 0.15 . 2 . . . . 123 LEU CD2 . 17318 1 1503 . 1 1 123 123 LEU N N 15 122.579 0.11 . 1 . . . . 123 LEU N . 17318 1 1504 . 1 1 124 124 ILE H H 1 8.095 0.024 . 1 . . . . 124 ILE H . 17318 1 1505 . 1 1 124 124 ILE HA H 1 4.131 0.024 . 1 . . . . 124 ILE HA . 17318 1 1506 . 1 1 124 124 ILE HB H 1 1.805 0.024 . 1 . . . . 124 ILE HB . 17318 1 1507 . 1 1 124 124 ILE HG12 H 1 1.413 0.024 . 2 . . . . 124 ILE HG12 . 17318 1 1508 . 1 1 124 124 ILE HG13 H 1 1.135 0.024 . 2 . . . . 124 ILE HG13 . 17318 1 1509 . 1 1 124 124 ILE HG21 H 1 0.855 0.024 . 1 . . . . 124 ILE QG2 . 17318 1 1510 . 1 1 124 124 ILE HG22 H 1 0.855 0.024 . 1 . . . . 124 ILE QG2 . 17318 1 1511 . 1 1 124 124 ILE HG23 H 1 0.855 0.024 . 1 . . . . 124 ILE QG2 . 17318 1 1512 . 1 1 124 124 ILE HD11 H 1 0.828 0.024 . 1 . . . . 124 ILE QD1 . 17318 1 1513 . 1 1 124 124 ILE HD12 H 1 0.828 0.024 . 1 . . . . 124 ILE QD1 . 17318 1 1514 . 1 1 124 124 ILE HD13 H 1 0.828 0.024 . 1 . . . . 124 ILE QD1 . 17318 1 1515 . 1 1 124 124 ILE C C 13 175.237 0.15 . 1 . . . . 124 ILE C . 17318 1 1516 . 1 1 124 124 ILE CA C 13 60.585 0.15 . 1 . . . . 124 ILE CA . 17318 1 1517 . 1 1 124 124 ILE CB C 13 38.944 0.15 . 1 . . . . 124 ILE CB . 17318 1 1518 . 1 1 124 124 ILE CG1 C 13 27.075 0.15 . 1 . . . . 124 ILE CG1 . 17318 1 1519 . 1 1 124 124 ILE CG2 C 13 17.358 0.15 . 1 . . . . 124 ILE CG2 . 17318 1 1520 . 1 1 124 124 ILE CD1 C 13 12.717 0.15 . 1 . . . . 124 ILE CD1 . 17318 1 1521 . 1 1 124 124 ILE N N 15 121.487 0.11 . 1 . . . . 124 ILE N . 17318 1 1522 . 1 1 125 125 ASP H H 1 8.339 0.024 . 1 . . . . 125 ASP H . 17318 1 1523 . 1 1 125 125 ASP HA H 1 4.581 0.024 . 1 . . . . 125 ASP HA . 17318 1 1524 . 1 1 125 125 ASP HB2 H 1 2.720 0.024 . 2 . . . . 125 ASP HB2 . 17318 1 1525 . 1 1 125 125 ASP HB3 H 1 2.554 0.024 . 2 . . . . 125 ASP HB3 . 17318 1 1526 . 1 1 125 125 ASP C C 13 176.019 0.15 . 1 . . . . 125 ASP C . 17318 1 1527 . 1 1 125 125 ASP CA C 13 53.916 0.15 . 1 . . . . 125 ASP CA . 17318 1 1528 . 1 1 125 125 ASP CB C 13 41.127 0.15 . 1 . . . . 125 ASP CB . 17318 1 1529 . 1 1 125 125 ASP N N 15 124.389 0.11 . 1 . . . . 125 ASP N . 17318 1 1530 . 1 1 126 126 MET H H 1 8.352 0.024 . 1 . . . . 126 MET H . 17318 1 1531 . 1 1 126 126 MET HA H 1 4.427 0.024 . 1 . . . . 126 MET HA . 17318 1 1532 . 1 1 126 126 MET HB2 H 1 2.120 0.024 . 2 . . . . 126 MET HB2 . 17318 1 1533 . 1 1 126 126 MET HB3 H 1 1.975 0.024 . 2 . . . . 126 MET HB3 . 17318 1 1534 . 1 1 126 126 MET HG2 H 1 2.515 0.024 . 2 . . . . 126 MET HG2 . 17318 1 1535 . 1 1 126 126 MET HG3 H 1 2.615 0.024 . 2 . . . . 126 MET HG3 . 17318 1 1536 . 1 1 126 126 MET HE1 H 1 2.086 0.024 . 1 . . . . 126 MET QE . 17318 1 1537 . 1 1 126 126 MET HE2 H 1 2.086 0.024 . 1 . . . . 126 MET QE . 17318 1 1538 . 1 1 126 126 MET HE3 H 1 2.086 0.024 . 1 . . . . 126 MET QE . 17318 1 1539 . 1 1 126 126 MET C C 13 175.842 0.15 . 1 . . . . 126 MET C . 17318 1 1540 . 1 1 126 126 MET CA C 13 55.239 0.15 . 1 . . . . 126 MET CA . 17318 1 1541 . 1 1 126 126 MET CB C 13 32.456 0.15 . 1 . . . . 126 MET CB . 17318 1 1542 . 1 1 126 126 MET CG C 13 32.030 0.15 . 1 . . . . 126 MET CG . 17318 1 1543 . 1 1 126 126 MET CE C 13 16.800 0.15 . 1 . . . . 126 MET CE . 17318 1 1544 . 1 1 126 126 MET N N 15 121.567 0.11 . 1 . . . . 126 MET N . 17318 1 1545 . 1 1 127 127 ALA H H 1 8.298 0.024 . 1 . . . . 127 ALA H . 17318 1 1546 . 1 1 127 127 ALA HA H 1 4.295 0.024 . 1 . . . . 127 ALA HA . 17318 1 1547 . 1 1 127 127 ALA HB1 H 1 1.388 0.024 . 1 . . . . 127 ALA QB . 17318 1 1548 . 1 1 127 127 ALA HB2 H 1 1.388 0.024 . 1 . . . . 127 ALA QB . 17318 1 1549 . 1 1 127 127 ALA HB3 H 1 1.388 0.024 . 1 . . . . 127 ALA QB . 17318 1 1550 . 1 1 127 127 ALA C C 13 177.559 0.15 . 1 . . . . 127 ALA C . 17318 1 1551 . 1 1 127 127 ALA CA C 13 52.566 0.15 . 1 . . . . 127 ALA CA . 17318 1 1552 . 1 1 127 127 ALA CB C 13 18.950 0.15 . 1 . . . . 127 ALA CB . 17318 1 1553 . 1 1 127 127 ALA N N 15 124.067 0.11 . 1 . . . . 127 ALA N . 17318 1 1554 . 1 1 128 128 VAL H H 1 7.898 0.024 . 1 . . . . 128 VAL H . 17318 1 1555 . 1 1 128 128 VAL HA H 1 3.971 0.024 . 1 . . . . 128 VAL HA . 17318 1 1556 . 1 1 128 128 VAL HB H 1 1.972 0.024 . 1 . . . . 128 VAL HB . 17318 1 1557 . 1 1 128 128 VAL HG21 H 1 0.790 0.024 . 2 . . . . 128 VAL QG2 . 17318 1 1558 . 1 1 128 128 VAL HG22 H 1 0.790 0.024 . 2 . . . . 128 VAL QG2 . 17318 1 1559 . 1 1 128 128 VAL HG23 H 1 0.790 0.024 . 2 . . . . 128 VAL QG2 . 17318 1 1560 . 1 1 128 128 VAL C C 13 175.684 0.15 . 1 . . . . 128 VAL C . 17318 1 1561 . 1 1 128 128 VAL CA C 13 62.251 0.15 . 1 . . . . 128 VAL CA . 17318 1 1562 . 1 1 128 128 VAL CB C 13 32.603 0.15 . 1 . . . . 128 VAL CB . 17318 1 1563 . 1 1 128 128 VAL CG2 C 13 20.930 0.15 . 2 . . . . 128 VAL CG2 . 17318 1 1564 . 1 1 128 128 VAL N N 15 118.789 0.11 . 1 . . . . 128 VAL N . 17318 1 1565 . 1 1 129 129 LYS H H 1 8.205 0.024 . 1 . . . . 129 LYS H . 17318 1 1566 . 1 1 129 129 LYS HA H 1 4.267 0.024 . 1 . . . . 129 LYS HA . 17318 1 1567 . 1 1 129 129 LYS HB2 H 1 1.651 0.024 . 2 . . . . 129 LYS QB . 17318 1 1568 . 1 1 129 129 LYS HB3 H 1 1.651 0.024 . 2 . . . . 129 LYS QB . 17318 1 1569 . 1 1 129 129 LYS HG2 H 1 1.316 0.024 . 2 . . . . 129 LYS HG2 . 17318 1 1570 . 1 1 129 129 LYS HG3 H 1 1.254 0.024 . 2 . . . . 129 LYS HG3 . 17318 1 1571 . 1 1 129 129 LYS HD2 H 1 1.617 0.024 . 2 . . . . 129 LYS QD . 17318 1 1572 . 1 1 129 129 LYS HD3 H 1 1.617 0.024 . 2 . . . . 129 LYS QD . 17318 1 1573 . 1 1 129 129 LYS HE2 H 1 2.956 0.024 . 2 . . . . 129 LYS QE . 17318 1 1574 . 1 1 129 129 LYS HE3 H 1 2.956 0.024 . 2 . . . . 129 LYS QE . 17318 1 1575 . 1 1 129 129 LYS C C 13 175.758 0.15 . 1 . . . . 129 LYS C . 17318 1 1576 . 1 1 129 129 LYS CA C 13 55.786 0.15 . 1 . . . . 129 LYS CA . 17318 1 1577 . 1 1 129 129 LYS CB C 13 33.019 0.15 . 1 . . . . 129 LYS CB . 17318 1 1578 . 1 1 129 129 LYS CG C 13 24.538 0.15 . 1 . . . . 129 LYS CG . 17318 1 1579 . 1 1 129 129 LYS CD C 13 28.983 0.15 . 1 . . . . 129 LYS CD . 17318 1 1580 . 1 1 129 129 LYS CE C 13 42.020 0.15 . 1 . . . . 129 LYS CE . 17318 1 1581 . 1 1 129 129 LYS N N 15 124.218 0.11 . 1 . . . . 129 LYS N . 17318 1 1582 . 1 1 130 130 TYR H H 1 8.147 0.024 . 1 . . . . 130 TYR H . 17318 1 1583 . 1 1 130 130 TYR HA H 1 4.566 0.024 . 1 . . . . 130 TYR HA . 17318 1 1584 . 1 1 130 130 TYR HB2 H 1 2.887 0.024 . 2 . . . . 130 TYR HB2 . 17318 1 1585 . 1 1 130 130 TYR HB3 H 1 3.005 0.024 . 2 . . . . 130 TYR HB3 . 17318 1 1586 . 1 1 130 130 TYR HD1 H 1 7.091 0.024 . 3 . . . . 130 TYR QD . 17318 1 1587 . 1 1 130 130 TYR HD2 H 1 7.091 0.024 . 3 . . . . 130 TYR QD . 17318 1 1588 . 1 1 130 130 TYR HE1 H 1 6.783 0.024 . 3 . . . . 130 TYR QE . 17318 1 1589 . 1 1 130 130 TYR HE2 H 1 6.783 0.024 . 3 . . . . 130 TYR QE . 17318 1 1590 . 1 1 130 130 TYR C C 13 174.975 0.15 . 1 . . . . 130 TYR C . 17318 1 1591 . 1 1 130 130 TYR CA C 13 57.502 0.15 . 1 . . . . 130 TYR CA . 17318 1 1592 . 1 1 130 130 TYR CB C 13 38.806 0.15 . 1 . . . . 130 TYR CB . 17318 1 1593 . 1 1 130 130 TYR CD1 C 13 133.025 0.15 . 3 . . . . 130 TYR CD1 . 17318 1 1594 . 1 1 130 130 TYR CE1 C 13 118.104 0.15 . 3 . . . . 130 TYR CE1 . 17318 1 1595 . 1 1 130 130 TYR N N 15 120.847 0.11 . 1 . . . . 130 TYR N . 17318 1 1596 . 1 1 131 131 HIS H H 1 8.172 0.024 . 1 . . . . 131 HIS H . 17318 1 1597 . 1 1 131 131 HIS HA H 1 4.705 0.024 . 1 . . . . 131 HIS HA . 17318 1 1598 . 1 1 131 131 HIS HB2 H 1 3.199 0.024 . 2 . . . . 131 HIS HB2 . 17318 1 1599 . 1 1 131 131 HIS HB3 H 1 3.225 0.024 . 2 . . . . 131 HIS HB3 . 17318 1 1600 . 1 1 131 131 HIS HD2 H 1 7.212 0.024 . 1 . . . . 131 HIS HD2 . 17318 1 1601 . 1 1 131 131 HIS C C 13 173.520 0.15 . 1 . . . . 131 HIS C . 17318 1 1602 . 1 1 131 131 HIS CA C 13 55.175 0.15 . 1 . . . . 131 HIS CA . 17318 1 1603 . 1 1 131 131 HIS CB C 13 29.843 0.15 . 1 . . . . 131 HIS CB . 17318 1 1604 . 1 1 131 131 HIS CD2 C 13 120.284 0.15 . 1 . . . . 131 HIS CD2 . 17318 1 1605 . 1 1 131 131 HIS N N 15 120.163 0.11 . 1 . . . . 131 HIS N . 17318 1 1606 . 1 1 132 132 THR H H 1 7.977 0.024 . 1 . . . . 132 THR H . 17318 1 1607 . 1 1 132 132 THR HA H 1 4.113 0.024 . 1 . . . . 132 THR HA . 17318 1 1608 . 1 1 132 132 THR HB H 1 4.289 0.024 . 1 . . . . 132 THR HB . 17318 1 1609 . 1 1 132 132 THR HG21 H 1 1.176 0.024 . 1 . . . . 132 THR QG2 . 17318 1 1610 . 1 1 132 132 THR HG22 H 1 1.176 0.024 . 1 . . . . 132 THR QG2 . 17318 1 1611 . 1 1 132 132 THR HG23 H 1 1.176 0.024 . 1 . . . . 132 THR QG2 . 17318 1 1612 . 1 1 132 132 THR CA C 13 63.204 0.15 . 1 . . . . 132 THR CA . 17318 1 1613 . 1 1 132 132 THR CB C 13 70.095 0.15 . 1 . . . . 132 THR CB . 17318 1 1614 . 1 1 132 132 THR CG2 C 13 21.999 0.15 . 1 . . . . 132 THR CG2 . 17318 1 1615 . 1 1 132 132 THR N N 15 120.078 0.11 . 1 . . . . 132 THR N . 17318 1 stop_ save_