data_15723 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15723 _Entry.Title ; NMR assignment of the nonstructural protein nsp3(1066-1181) from SARS-CoV ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-09 _Entry.Accession_date 2008-04-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kurt Wuthrich . . . 15723 2 Pedro Serrano . . . 15723 3 Margaret Johnson . A. . 15723 4 Amarnath Chatterjee . . . 15723 5 Bill Pedrini . . . 15723 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' . 15723 . FSPS 'Functional and Structural Proteomics of the SARS coronavirus' . 15723 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15723 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 15723 '15N chemical shifts' 114 15723 '1H chemical shifts' 817 15723 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 4 . . 2010-04-19 2008-04-09 update BMRB 'add related PDB ID' 15723 3 . . 2009-08-31 2008-04-09 update BMRB 'add PubMed ID' 15723 2 . . 2008-12-02 2008-04-09 update BMRB 'complete entry citation' 15723 1 . . 2008-04-18 2008-04-09 original author 'original release' 15723 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K87 'BMRB Entry Tracking System' 15723 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15723 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636888 _Citation.Full_citation . _Citation.Title 'NMR assignment of the nonstructural protein nsp3(1066-1181) from SARS-CoV' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 135 _Citation.Page_last 138 _Citation.Year 2008 _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 Pedro Serrano . . . 15723 1 2 Margaret Johnson . A. . 15723 1 3 Amarnath Chatterjee . . . 15723 1 4 Bill Pedrini . . . 15723 1 5 Kurt Wuthrich . . . 15723 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15723 _Assembly.ID 1 _Assembly.Name nsp3(1066-1181) _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 13214 _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 nsp3(1066-1181) 1 $nsp3(1066-1181) A . yes native no no . . . 15723 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp3(1066-1181) _Entity.Sf_category entity _Entity.Sf_framecode nsp3(1066-1181) _Entity.Entry_ID 15723 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp3(1066-1181) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYTEQPIDLVPTQPLPNASF DNFKLTCSNTKFADDLNQMT GFTKPASRELSVTFFPDLNG DVVAIDYRHYSASFKKGAKL LHKPIVWHINQATTKTTFKP NTWCLRCLWSTKPVDT ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'nsp3e domain of the SARS nsp3 protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K87 . "Nmr Structure Of A Putative Rna Binding Protein (Sars1) From Sars Coronavirus" . . . . . 100.00 116 100.00 100.00 1.08e-79 . . . . 15723 1 2 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 3 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 99.14 4382 100.00 100.00 1.61e-72 . . . . 15723 1 4 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 5 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 99.14 4382 100.00 100.00 1.61e-72 . . . . 15723 1 6 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 7 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 99.14 4382 100.00 100.00 1.67e-72 . . . . 15723 1 8 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 9 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 10 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 99.14 4382 100.00 100.00 1.52e-72 . . . . 15723 1 11 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 12 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 13 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 99.14 4382 100.00 100.00 1.61e-72 . . . . 15723 1 14 no REF NP_828862 . "nsp3-pp1a/pp1ab [SARS coronavirus]" . . . . . 99.14 1922 100.00 100.00 4.84e-73 . . . . 15723 1 15 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 99.14 4380 99.13 100.00 2.15e-72 . . . . 15723 1 16 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 99.14 4382 100.00 100.00 1.61e-72 . . . . 15723 1 17 no SP P0C6W6 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 99.14 7071 99.13 100.00 6.05e-72 . . . . 15723 1 18 no SP P0C6X7 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 99.14 7073 100.00 100.00 4.99e-72 . . . . 15723 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15723 1 2 . TYR . 15723 1 3 . THR . 15723 1 4 . GLU . 15723 1 5 . GLN . 15723 1 6 . PRO . 15723 1 7 . ILE . 15723 1 8 . ASP . 15723 1 9 . LEU . 15723 1 10 . VAL . 15723 1 11 . PRO . 15723 1 12 . THR . 15723 1 13 . GLN . 15723 1 14 . PRO . 15723 1 15 . LEU . 15723 1 16 . PRO . 15723 1 17 . ASN . 15723 1 18 . ALA . 15723 1 19 . SER . 15723 1 20 . PHE . 15723 1 21 . ASP . 15723 1 22 . ASN . 15723 1 23 . PHE . 15723 1 24 . LYS . 15723 1 25 . LEU . 15723 1 26 . THR . 15723 1 27 . CYS . 15723 1 28 . SER . 15723 1 29 . ASN . 15723 1 30 . THR . 15723 1 31 . LYS . 15723 1 32 . PHE . 15723 1 33 . ALA . 15723 1 34 . ASP . 15723 1 35 . ASP . 15723 1 36 . LEU . 15723 1 37 . ASN . 15723 1 38 . GLN . 15723 1 39 . MET . 15723 1 40 . THR . 15723 1 41 . GLY . 15723 1 42 . PHE . 15723 1 43 . THR . 15723 1 44 . LYS . 15723 1 45 . PRO . 15723 1 46 . ALA . 15723 1 47 . SER . 15723 1 48 . ARG . 15723 1 49 . GLU . 15723 1 50 . LEU . 15723 1 51 . SER . 15723 1 52 . VAL . 15723 1 53 . THR . 15723 1 54 . PHE . 15723 1 55 . PHE . 15723 1 56 . PRO . 15723 1 57 . ASP . 15723 1 58 . LEU . 15723 1 59 . ASN . 15723 1 60 . GLY . 15723 1 61 . ASP . 15723 1 62 . VAL . 15723 1 63 . VAL . 15723 1 64 . ALA . 15723 1 65 . ILE . 15723 1 66 . ASP . 15723 1 67 . TYR . 15723 1 68 . ARG . 15723 1 69 . HIS . 15723 1 70 . TYR . 15723 1 71 . SER . 15723 1 72 . ALA . 15723 1 73 . SER . 15723 1 74 . PHE . 15723 1 75 . LYS . 15723 1 76 . LYS . 15723 1 77 . GLY . 15723 1 78 . ALA . 15723 1 79 . LYS . 15723 1 80 . LEU . 15723 1 81 . LEU . 15723 1 82 . HIS . 15723 1 83 . LYS . 15723 1 84 . PRO . 15723 1 85 . ILE . 15723 1 86 . VAL . 15723 1 87 . TRP . 15723 1 88 . HIS . 15723 1 89 . ILE . 15723 1 90 . ASN . 15723 1 91 . GLN . 15723 1 92 . ALA . 15723 1 93 . THR . 15723 1 94 . THR . 15723 1 95 . LYS . 15723 1 96 . THR . 15723 1 97 . THR . 15723 1 98 . PHE . 15723 1 99 . LYS . 15723 1 100 . PRO . 15723 1 101 . ASN . 15723 1 102 . THR . 15723 1 103 . TRP . 15723 1 104 . CYS . 15723 1 105 . LEU . 15723 1 106 . ARG . 15723 1 107 . CYS . 15723 1 108 . LEU . 15723 1 109 . TRP . 15723 1 110 . SER . 15723 1 111 . THR . 15723 1 112 . LYS . 15723 1 113 . PRO . 15723 1 114 . VAL . 15723 1 115 . ASP . 15723 1 116 . THR . 15723 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15723 1 . TYR 2 2 15723 1 . THR 3 3 15723 1 . GLU 4 4 15723 1 . GLN 5 5 15723 1 . PRO 6 6 15723 1 . ILE 7 7 15723 1 . ASP 8 8 15723 1 . LEU 9 9 15723 1 . VAL 10 10 15723 1 . PRO 11 11 15723 1 . THR 12 12 15723 1 . GLN 13 13 15723 1 . PRO 14 14 15723 1 . LEU 15 15 15723 1 . PRO 16 16 15723 1 . ASN 17 17 15723 1 . ALA 18 18 15723 1 . SER 19 19 15723 1 . PHE 20 20 15723 1 . ASP 21 21 15723 1 . ASN 22 22 15723 1 . PHE 23 23 15723 1 . LYS 24 24 15723 1 . LEU 25 25 15723 1 . THR 26 26 15723 1 . CYS 27 27 15723 1 . SER 28 28 15723 1 . ASN 29 29 15723 1 . THR 30 30 15723 1 . LYS 31 31 15723 1 . PHE 32 32 15723 1 . ALA 33 33 15723 1 . ASP 34 34 15723 1 . ASP 35 35 15723 1 . LEU 36 36 15723 1 . ASN 37 37 15723 1 . GLN 38 38 15723 1 . MET 39 39 15723 1 . THR 40 40 15723 1 . GLY 41 41 15723 1 . PHE 42 42 15723 1 . THR 43 43 15723 1 . LYS 44 44 15723 1 . PRO 45 45 15723 1 . ALA 46 46 15723 1 . SER 47 47 15723 1 . ARG 48 48 15723 1 . GLU 49 49 15723 1 . LEU 50 50 15723 1 . SER 51 51 15723 1 . VAL 52 52 15723 1 . THR 53 53 15723 1 . PHE 54 54 15723 1 . PHE 55 55 15723 1 . PRO 56 56 15723 1 . ASP 57 57 15723 1 . LEU 58 58 15723 1 . ASN 59 59 15723 1 . GLY 60 60 15723 1 . ASP 61 61 15723 1 . VAL 62 62 15723 1 . VAL 63 63 15723 1 . ALA 64 64 15723 1 . ILE 65 65 15723 1 . ASP 66 66 15723 1 . TYR 67 67 15723 1 . ARG 68 68 15723 1 . HIS 69 69 15723 1 . TYR 70 70 15723 1 . SER 71 71 15723 1 . ALA 72 72 15723 1 . SER 73 73 15723 1 . PHE 74 74 15723 1 . LYS 75 75 15723 1 . LYS 76 76 15723 1 . GLY 77 77 15723 1 . ALA 78 78 15723 1 . LYS 79 79 15723 1 . LEU 80 80 15723 1 . LEU 81 81 15723 1 . HIS 82 82 15723 1 . LYS 83 83 15723 1 . PRO 84 84 15723 1 . ILE 85 85 15723 1 . VAL 86 86 15723 1 . TRP 87 87 15723 1 . HIS 88 88 15723 1 . ILE 89 89 15723 1 . ASN 90 90 15723 1 . GLN 91 91 15723 1 . ALA 92 92 15723 1 . THR 93 93 15723 1 . THR 94 94 15723 1 . LYS 95 95 15723 1 . THR 96 96 15723 1 . THR 97 97 15723 1 . PHE 98 98 15723 1 . LYS 99 99 15723 1 . PRO 100 100 15723 1 . ASN 101 101 15723 1 . THR 102 102 15723 1 . TRP 103 103 15723 1 . CYS 104 104 15723 1 . LEU 105 105 15723 1 . ARG 106 106 15723 1 . CYS 107 107 15723 1 . LEU 108 108 15723 1 . TRP 109 109 15723 1 . SER 110 110 15723 1 . THR 111 111 15723 1 . LYS 112 112 15723 1 . PRO 113 113 15723 1 . VAL 114 114 15723 1 . ASP 115 115 15723 1 . THR 116 116 15723 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 15723 _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 $nsp3(1066-1181) . 227859 virus . SARS-CoV 'SARS coronavirus' . . Viruses . Coronavirus 'SARS virus' SARS-CoV SARS-CoV . . . . . . . . . . . . . . . . . . . 15723 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 15723 _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 $nsp3(1066-1181) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE)RIL . . . . . . . . . . . . . . . pET25b . . . . . . 15723 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15723 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nsp3(1066-1181) '[U-99% 13C; U-99% 15N]' . . 1 $nsp3(1066-1181) . . 1.4 . . mM . . . . 15723 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15723 1 3 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15723 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15723 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 15723 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.302 . M 15723 1 pH 6.5 0.1 pH 15723 1 pressure 1 . atm 15723 1 temperature 298 0.1 K 15723 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15723 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15723 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15723 1 processing 15723 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15723 _Software.ID 2 _Software.Name CARA _Software.Version 1.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15723 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15723 2 'peak picking' 15723 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 15723 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 15723 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15723 3 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 15723 _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 15723 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15723 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15723 _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 . . . 15723 1 2 spectrometer_2 Bruker Avance . 600 . . . 15723 1 3 spectrometer_3 Bruker DRX . 700 . . . 15723 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 15723 _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 . . . . . . . . . . . . . . . . . . . . . 15723 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15723 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 15723 _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 0.25144530 . . . . . . . . . 15723 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 15723 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15723 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 15723 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.35 _Assigned_chem_shift_list.Chem_shift_15N_err 0.35 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15723 1 3 '3D HNCA' . . . 15723 1 4 '3D HNCACB' . . . 15723 1 5 '3D CBCA(CO)NH' . . . 15723 1 6 '3D HNCO' . . . 15723 1 7 '3D HCCH-TOCSY' . . . 15723 1 10 '3D H(CCO)NH' . . . 15723 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 2 $CARA . . 15723 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 TYR HA H 1 4.617 0.02 . 1 . . . . 2 TYR HA . 15723 1 2 . 1 1 2 2 TYR HB3 H 1 2.966 0.02 . 2 . . . . 2 TYR HB3 . 15723 1 3 . 1 1 2 2 TYR HD1 H 1 7.040 0.02 . 3 . . . . 2 TYR QD . 15723 1 4 . 1 1 2 2 TYR HD2 H 1 7.040 0.02 . 3 . . . . 2 TYR QD . 15723 1 5 . 1 1 2 2 TYR HE1 H 1 6.750 0.02 . 3 . . . . 2 TYR QE . 15723 1 6 . 1 1 2 2 TYR HE2 H 1 6.750 0.02 . 3 . . . . 2 TYR QE . 15723 1 7 . 1 1 2 2 TYR C C 13 172.716 0.35 . 1 . . . . 2 TYR C . 15723 1 8 . 1 1 2 2 TYR CA C 13 56.943 0.35 . 1 . . . . 2 TYR CA . 15723 1 9 . 1 1 2 2 TYR CB C 13 38.050 0.35 . 1 . . . . 2 TYR CB . 15723 1 10 . 1 1 2 2 TYR CD1 C 13 130.440 0.35 . 3 . . . . 2 TYR CD1 . 15723 1 11 . 1 1 2 2 TYR CD2 C 13 130.440 0.35 . 3 . . . . 2 TYR CD2 . 15723 1 12 . 1 1 2 2 TYR CE1 C 13 115.680 0.35 . 3 . . . . 2 TYR CE1 . 15723 1 13 . 1 1 2 2 TYR CE2 C 13 115.680 0.35 . 3 . . . . 2 TYR CE2 . 15723 1 14 . 1 1 2 2 TYR N N 15 121.461 0.35 . 1 . . . . 2 TYR N . 15723 1 15 . 1 1 3 3 THR H H 1 7.984 0.02 . 1 . . . . 3 THR HN . 15723 1 16 . 1 1 3 3 THR HA H 1 4.684 0.02 . 1 . . . . 3 THR HA . 15723 1 17 . 1 1 3 3 THR HB H 1 4.078 0.02 . 1 . . . . 3 THR HB . 15723 1 18 . 1 1 3 3 THR HG21 H 1 1.083 0.02 . 2 . . . . 3 THR QG2 . 15723 1 19 . 1 1 3 3 THR HG22 H 1 1.083 0.02 . 2 . . . . 3 THR QG2 . 15723 1 20 . 1 1 3 3 THR HG23 H 1 1.083 0.02 . 2 . . . . 3 THR QG2 . 15723 1 21 . 1 1 3 3 THR C C 13 170.931 0.35 . 1 . . . . 3 THR C . 15723 1 22 . 1 1 3 3 THR CA C 13 60.870 0.35 . 1 . . . . 3 THR CA . 15723 1 23 . 1 1 3 3 THR CB C 13 69.270 0.35 . 1 . . . . 3 THR CB . 15723 1 24 . 1 1 3 3 THR CG2 C 13 20.936 0.35 . 1 . . . . 3 THR CG2 . 15723 1 25 . 1 1 3 3 THR N N 15 117.624 0.35 . 1 . . . . 3 THR N . 15723 1 26 . 1 1 4 4 GLU H H 1 8.290 0.02 . 1 . . . . 4 GLU HN . 15723 1 27 . 1 1 4 4 GLU HA H 1 4.183 0.02 . 1 . . . . 4 GLU HA . 15723 1 28 . 1 1 4 4 GLU HB2 H 1 1.996 0.02 . 2 . . . . 4 GLU HB2 . 15723 1 29 . 1 1 4 4 GLU HB3 H 1 1.870 0.02 . 2 . . . . 4 GLU HB3 . 15723 1 30 . 1 1 4 4 GLU HG2 H 1 2.216 0.02 . 2 . . . . 4 GLU QG . 15723 1 31 . 1 1 4 4 GLU HG3 H 1 2.216 0.02 . 2 . . . . 4 GLU QG . 15723 1 32 . 1 1 4 4 GLU C C 13 173.013 0.35 . 1 . . . . 4 GLU C . 15723 1 33 . 1 1 4 4 GLU CA C 13 55.876 0.35 . . . . . . 4 GLU CA . 15723 1 34 . 1 1 4 4 GLU CB C 13 29.779 0.35 . . . . . . 4 GLU CB . 15723 1 35 . 1 1 4 4 GLU CG C 13 35.709 0.35 . . . . . . 4 GLU CG . 15723 1 36 . 1 1 4 4 GLU N N 15 123.377 0.35 . . . . . . 4 GLU N . 15723 1 37 . 1 1 5 5 GLN H H 1 8.329 0.02 . 1 . . . . 5 GLN HN . 15723 1 38 . 1 1 5 5 GLN HA H 1 4.392 0.02 . 1 . . . . 5 GLN HA . 15723 1 39 . 1 1 5 5 GLN HB2 H 1 1.988 0.02 . 2 . . . . 5 GLN HB2 . 15723 1 40 . 1 1 5 5 GLN HB3 H 1 1.875 0.02 . 2 . . . . 5 GLN HB3 . 15723 1 41 . 1 1 5 5 GLN HG2 H 1 2.294 0.02 . 2 . . . . 5 GLN QG . 15723 1 42 . 1 1 5 5 GLN HG3 H 1 2.294 0.02 . 2 . . . . 5 GLN QG . 15723 1 43 . 1 1 5 5 GLN CA C 13 52.634 0.35 . 1 . . . . 5 GLN CA . 15723 1 44 . 1 1 5 5 GLN CB C 13 28.759 0.35 . 1 . . . . 5 GLN CB . 15723 1 45 . 1 1 5 5 GLN CG C 13 32.801 0.35 . 1 . . . . 5 GLN CG . 15723 1 46 . 1 1 5 5 GLN N N 15 122.599 0.35 . 1 . . . . 5 GLN N . 15723 1 47 . 1 1 6 6 PRO HA H 1 4.323 0.02 . 1 . . . . 6 PRO HA . 15723 1 48 . 1 1 6 6 PRO HB2 H 1 1.796 0.02 . 2 . . . . 6 PRO HB2 . 15723 1 49 . 1 1 6 6 PRO HB3 H 1 1.650 0.02 . 2 . . . . 6 PRO HB3 . 15723 1 50 . 1 1 6 6 PRO HD2 H 1 3.378 0.02 . 2 . . . . 6 PRO HD2 . 15723 1 51 . 1 1 6 6 PRO HD3 H 1 3.253 0.02 . 2 . . . . 6 PRO HD3 . 15723 1 52 . 1 1 6 6 PRO HG2 H 1 1.480 0.02 . 2 . . . . 6 PRO HG2 . 15723 1 53 . 1 1 6 6 PRO HG3 H 1 1.669 0.02 . 2 . . . . 6 PRO HG3 . 15723 1 54 . 1 1 6 6 PRO C C 13 173.636 0.35 . 1 . . . . 6 PRO C . 15723 1 55 . 1 1 6 6 PRO CA C 13 62.080 0.35 . 1 . . . . 6 PRO CA . 15723 1 56 . 1 1 6 6 PRO CB C 13 30.785 0.35 . 1 . . . . 6 PRO CB . 15723 1 57 . 1 1 6 6 PRO CD C 13 49.644 0.35 . 1 . . . . 6 PRO CD . 15723 1 58 . 1 1 6 6 PRO CG C 13 26.573 0.35 . 1 . . . . 6 PRO CG . 15723 1 59 . 1 1 7 7 ILE H H 1 8.160 0.02 . 1 . . . . 7 ILE HN . 15723 1 60 . 1 1 7 7 ILE HA H 1 3.871 0.02 . 1 . . . . 7 ILE HA . 15723 1 61 . 1 1 7 7 ILE HB H 1 1.343 0.02 . 1 . . . . 7 ILE HB . 15723 1 62 . 1 1 7 7 ILE HD11 H 1 0.019 0.02 . 2 . . . . 7 ILE QD1 . 15723 1 63 . 1 1 7 7 ILE HD12 H 1 0.019 0.02 . 2 . . . . 7 ILE QD1 . 15723 1 64 . 1 1 7 7 ILE HD13 H 1 0.019 0.02 . 2 . . . . 7 ILE QD1 . 15723 1 65 . 1 1 7 7 ILE HG12 H 1 1.010 0.02 . 2 . . . . 7 ILE HG12 . 15723 1 66 . 1 1 7 7 ILE HG13 H 1 0.523 0.02 . 2 . . . . 7 ILE HG13 . 15723 1 67 . 1 1 7 7 ILE HG21 H 1 0.443 0.02 . 2 . . . . 7 ILE QG2 . 15723 1 68 . 1 1 7 7 ILE HG22 H 1 0.443 0.02 . 2 . . . . 7 ILE QG2 . 15723 1 69 . 1 1 7 7 ILE HG23 H 1 0.443 0.02 . 2 . . . . 7 ILE QG2 . 15723 1 70 . 1 1 7 7 ILE C C 13 172.770 0.35 . 1 . . . . 7 ILE C . 15723 1 71 . 1 1 7 7 ILE CA C 13 60.589 0.35 . 1 . . . . 7 ILE CA . 15723 1 72 . 1 1 7 7 ILE CB C 13 38.318 0.35 . 1 . . . . 7 ILE CB . 15723 1 73 . 1 1 7 7 ILE CD1 C 13 12.272 0.35 . 1 . . . . 7 ILE CD1 . 15723 1 74 . 1 1 7 7 ILE CG1 C 13 26.545 0.35 . 1 . . . . 7 ILE CG1 . 15723 1 75 . 1 1 7 7 ILE CG2 C 13 16.844 0.35 . 1 . . . . 7 ILE CG2 . 15723 1 76 . 1 1 7 7 ILE N N 15 121.913 0.35 . 1 . . . . 7 ILE N . 15723 1 77 . 1 1 8 8 ASP H H 1 8.126 0.02 . 1 . . . . 8 ASP HN . 15723 1 78 . 1 1 8 8 ASP HA H 1 4.584 0.02 . 1 . . . . 8 ASP HA . 15723 1 79 . 1 1 8 8 ASP HB2 H 1 2.366 0.02 . 2 . . . . 8 ASP HB2 . 15723 1 80 . 1 1 8 8 ASP HB3 H 1 2.632 0.02 . 2 . . . . 8 ASP HB3 . 15723 1 81 . 1 1 8 8 ASP C C 13 171.742 0.35 . 1 . . . . 8 ASP C . 15723 1 82 . 1 1 8 8 ASP CA C 13 53.265 0.35 . 1 . . . . 8 ASP CA . 15723 1 83 . 1 1 8 8 ASP CB C 13 39.521 0.35 . 1 . . . . 8 ASP CB . 15723 1 84 . 1 1 8 8 ASP N N 15 124.858 0.35 . 1 . . . . 8 ASP N . 15723 1 85 . 1 1 9 9 LEU H H 1 7.374 0.02 . 1 . . . . 9 LEU HN . 15723 1 86 . 1 1 9 9 LEU HA H 1 4.506 0.02 . 1 . . . . 9 LEU HA . 15723 1 87 . 1 1 9 9 LEU HB2 H 1 0.609 0.02 . 2 . . . . 9 LEU HB2 . 15723 1 88 . 1 1 9 9 LEU HB3 H 1 1.195 0.02 . 2 . . . . 9 LEU HB3 . 15723 1 89 . 1 1 9 9 LEU HD11 H 1 0.337 0.02 . 2 . . . . 9 LEU QD1 . 15723 1 90 . 1 1 9 9 LEU HD12 H 1 0.337 0.02 . 2 . . . . 9 LEU QD1 . 15723 1 91 . 1 1 9 9 LEU HD13 H 1 0.337 0.02 . 2 . . . . 9 LEU QD1 . 15723 1 92 . 1 1 9 9 LEU HD21 H 1 0.229 0.02 . 2 . . . . 9 LEU QD2 . 15723 1 93 . 1 1 9 9 LEU HD22 H 1 0.229 0.02 . 2 . . . . 9 LEU QD2 . 15723 1 94 . 1 1 9 9 LEU HD23 H 1 0.229 0.02 . 2 . . . . 9 LEU QD2 . 15723 1 95 . 1 1 9 9 LEU HG H 1 1.021 0.02 . 1 . . . . 9 LEU HG . 15723 1 96 . 1 1 9 9 LEU C C 13 174.041 0.35 . 1 . . . . 9 LEU C . 15723 1 97 . 1 1 9 9 LEU CA C 13 53.779 0.35 . 1 . . . . 9 LEU CA . 15723 1 98 . 1 1 9 9 LEU CB C 13 43.411 0.35 . 1 . . . . 9 LEU CB . 15723 1 99 . 1 1 9 9 LEU CD1 C 13 25.005 0.35 . 2 . . . . 9 LEU CD1 . 15723 1 100 . 1 1 9 9 LEU CD2 C 13 24.020 0.35 . 2 . . . . 9 LEU CD2 . 15723 1 101 . 1 1 9 9 LEU CG C 13 25.980 0.35 . 1 . . . . 9 LEU CG . 15723 1 102 . 1 1 9 9 LEU N N 15 122.151 0.35 . 1 . . . . 9 LEU N . 15723 1 103 . 1 1 10 10 VAL H H 1 8.827 0.02 . 1 . . . . 10 VAL HN . 15723 1 104 . 1 1 10 10 VAL HA H 1 4.841 0.02 . 1 . . . . 10 VAL HA . 15723 1 105 . 1 1 10 10 VAL HB H 1 1.994 0.02 . 1 . . . . 10 VAL HB . 15723 1 106 . 1 1 10 10 VAL HG11 H 1 0.900 0.02 . 2 . . . . 10 VAL QG1 . 15723 1 107 . 1 1 10 10 VAL HG12 H 1 0.900 0.02 . 2 . . . . 10 VAL QG1 . 15723 1 108 . 1 1 10 10 VAL HG13 H 1 0.900 0.02 . 2 . . . . 10 VAL QG1 . 15723 1 109 . 1 1 10 10 VAL HG21 H 1 0.773 0.02 . 2 . . . . 10 VAL QG2 . 15723 1 110 . 1 1 10 10 VAL HG22 H 1 0.773 0.02 . 2 . . . . 10 VAL QG2 . 15723 1 111 . 1 1 10 10 VAL HG23 H 1 0.773 0.02 . 2 . . . . 10 VAL QG2 . 15723 1 112 . 1 1 10 10 VAL CA C 13 57.706 0.35 . 1 . . . . 10 VAL CA . 15723 1 113 . 1 1 10 10 VAL CB C 13 33.895 0.35 . 1 . . . . 10 VAL CB . 15723 1 114 . 1 1 10 10 VAL CG1 C 13 20.420 0.35 . 2 . . . . 10 VAL CG1 . 15723 1 115 . 1 1 10 10 VAL CG2 C 13 19.162 0.35 . 2 . . . . 10 VAL CG2 . 15723 1 116 . 1 1 10 10 VAL N N 15 120.738 0.35 . 1 . . . . 10 VAL N . 15723 1 117 . 1 1 11 11 PRO HA H 1 4.766 0.02 . 1 . . . . 11 PRO HA . 15723 1 118 . 1 1 11 11 PRO HB2 H 1 2.580 0.02 . 2 . . . . 11 PRO HB2 . 15723 1 119 . 1 1 11 11 PRO HB3 H 1 1.876 0.02 . 2 . . . . 11 PRO HB3 . 15723 1 120 . 1 1 11 11 PRO HD2 H 1 3.991 0.02 . 2 . . . . 11 PRO HD2 . 15723 1 121 . 1 1 11 11 PRO HD3 H 1 3.700 0.02 . 2 . . . . 11 PRO HD3 . 15723 1 122 . 1 1 11 11 PRO HG2 H 1 2.070 0.02 . 2 . . . . 11 PRO HG2 . 15723 1 123 . 1 1 11 11 PRO HG3 H 1 1.839 0.02 . 2 . . . . 11 PRO HG3 . 15723 1 124 . 1 1 11 11 PRO C C 13 173.149 0.35 . 1 . . . . 11 PRO C . 15723 1 125 . 1 1 11 11 PRO CA C 13 62.417 0.35 . 1 . . . . 11 PRO CA . 15723 1 126 . 1 1 11 11 PRO CB C 13 32.119 0.35 . 1 . . . . 11 PRO CB . 15723 1 127 . 1 1 11 11 PRO CD C 13 50.462 0.35 . 1 . . . . 11 PRO CD . 15723 1 128 . 1 1 11 11 PRO CG C 13 27.201 0.35 . 1 . . . . 11 PRO CG . 15723 1 129 . 1 1 12 12 THR H H 1 7.408 0.02 . 1 . . . . 12 THR HN . 15723 1 130 . 1 1 12 12 THR HA H 1 4.280 0.02 . 1 . . . . 12 THR HA . 15723 1 131 . 1 1 12 12 THR HB H 1 3.822 0.02 . 1 . . . . 12 THR HB . 15723 1 132 . 1 1 12 12 THR HG21 H 1 0.824 0.02 . 2 . . . . 12 THR QG2 . 15723 1 133 . 1 1 12 12 THR HG22 H 1 0.824 0.02 . 2 . . . . 12 THR QG2 . 15723 1 134 . 1 1 12 12 THR HG23 H 1 0.824 0.02 . 2 . . . . 12 THR QG2 . 15723 1 135 . 1 1 12 12 THR C C 13 166.981 0.35 . 1 . . . . 12 THR C . 15723 1 136 . 1 1 12 12 THR CA C 13 59.142 0.35 . 1 . . . . 12 THR CA . 15723 1 137 . 1 1 12 12 THR CB C 13 68.812 0.35 . 1 . . . . 12 THR CB . 15723 1 138 . 1 1 12 12 THR CG2 C 13 17.896 0.35 . 1 . . . . 12 THR CG2 . 15723 1 139 . 1 1 12 12 THR N N 15 115.177 0.35 . 1 . . . . 12 THR N . 15723 1 140 . 1 1 13 13 GLN H H 1 7.953 0.02 . 1 . . . . 13 GLN HN . 15723 1 141 . 1 1 13 13 GLN HA H 1 5.073 0.02 . 1 . . . . 13 GLN HA . 15723 1 142 . 1 1 13 13 GLN HB2 H 1 1.881 0.02 . 2 . . . . 13 GLN HB2 . 15723 1 143 . 1 1 13 13 GLN HB3 H 1 2.063 0.02 . 2 . . . . 13 GLN HB3 . 15723 1 144 . 1 1 13 13 GLN HG2 H 1 1.717 0.02 . 2 . . . . 13 GLN HG2 . 15723 1 145 . 1 1 13 13 GLN HG3 H 1 1.432 0.02 . 2 . . . . 13 GLN HG3 . 15723 1 146 . 1 1 13 13 GLN CA C 13 52.836 0.35 . 1 . . . . 13 GLN CA . 15723 1 147 . 1 1 13 13 GLN CB C 13 28.566 0.35 . 1 . . . . 13 GLN CB . 15723 1 148 . 1 1 13 13 GLN CG C 13 32.465 0.35 . 1 . . . . 13 GLN CG . 15723 1 149 . 1 1 13 13 GLN N N 15 113.324 0.35 . 1 . . . . 13 GLN N . 15723 1 150 . 1 1 14 14 PRO HA H 1 4.340 0.02 . 1 . . . . 14 PRO HA . 15723 1 151 . 1 1 14 14 PRO HB2 H 1 2.032 0.02 . 2 . . . . 14 PRO HB2 . 15723 1 152 . 1 1 14 14 PRO HB3 H 1 1.727 0.02 . 2 . . . . 14 PRO HB3 . 15723 1 153 . 1 1 14 14 PRO HD2 H 1 3.755 0.02 . 2 . . . . 14 PRO QD . 15723 1 154 . 1 1 14 14 PRO HD3 H 1 3.755 0.02 . 2 . . . . 14 PRO QD . 15723 1 155 . 1 1 14 14 PRO HG2 H 1 1.908 0.02 . 2 . . . . 14 PRO HG2 . 15723 1 156 . 1 1 14 14 PRO HG3 H 1 1.967 0.02 . 2 . . . . 14 PRO HG3 . 15723 1 157 . 1 1 14 14 PRO C C 13 173.392 0.35 . 1 . . . . 14 PRO C . 15723 1 158 . 1 1 14 14 PRO CA C 13 62.498 0.35 . 1 . . . . 14 PRO CA . 15723 1 159 . 1 1 14 14 PRO CB C 13 31.565 0.35 . 1 . . . . 14 PRO CB . 15723 1 160 . 1 1 14 14 PRO CD C 13 49.929 0.35 . 1 . . . . 14 PRO CD . 15723 1 161 . 1 1 14 14 PRO CG C 13 26.785 0.35 . 1 . . . . 14 PRO CG . 15723 1 162 . 1 1 15 15 LEU H H 1 8.764 0.02 . 1 . . . . 15 LEU HN . 15723 1 163 . 1 1 15 15 LEU HA H 1 4.511 0.02 . 1 . . . . 15 LEU HA . 15723 1 164 . 1 1 15 15 LEU HB2 H 1 1.561 0.02 . 2 . . . . 15 LEU QB . 15723 1 165 . 1 1 15 15 LEU HB3 H 1 1.561 0.02 . 2 . . . . 15 LEU QB . 15723 1 166 . 1 1 15 15 LEU HD11 H 1 0.993 0.02 . 2 . . . . 15 LEU QD1 . 15723 1 167 . 1 1 15 15 LEU HD12 H 1 0.993 0.02 . 2 . . . . 15 LEU QD1 . 15723 1 168 . 1 1 15 15 LEU HD13 H 1 0.993 0.02 . 2 . . . . 15 LEU QD1 . 15723 1 169 . 1 1 15 15 LEU HD21 H 1 0.946 0.02 . 2 . . . . 15 LEU QD2 . 15723 1 170 . 1 1 15 15 LEU HD22 H 1 0.946 0.02 . 2 . . . . 15 LEU QD2 . 15723 1 171 . 1 1 15 15 LEU HD23 H 1 0.946 0.02 . 2 . . . . 15 LEU QD2 . 15723 1 172 . 1 1 15 15 LEU HG H 1 1.832 0.02 . 1 . . . . 15 LEU HG . 15723 1 173 . 1 1 15 15 LEU CA C 13 52.597 0.35 . 1 . . . . 15 LEU CA . 15723 1 174 . 1 1 15 15 LEU CB C 13 40.769 0.35 . 1 . . . . 15 LEU CB . 15723 1 175 . 1 1 15 15 LEU CD1 C 13 25.072 0.35 . 2 . . . . 15 LEU CD1 . 15723 1 176 . 1 1 15 15 LEU CD2 C 13 22.567 0.35 . 2 . . . . 15 LEU CD2 . 15723 1 177 . 1 1 15 15 LEU CG C 13 26.815 0.35 . 1 . . . . 15 LEU CG . 15723 1 178 . 1 1 15 15 LEU N N 15 124.665 0.35 . 1 . . . . 15 LEU N . 15723 1 179 . 1 1 16 16 PRO HA H 1 4.325 0.02 . 1 . . . . 16 PRO HA . 15723 1 180 . 1 1 16 16 PRO HB2 H 1 2.275 0.02 . 2 . . . . 16 PRO HB2 . 15723 1 181 . 1 1 16 16 PRO HB3 H 1 1.861 0.02 . 2 . . . . 16 PRO HB3 . 15723 1 182 . 1 1 16 16 PRO HD2 H 1 3.653 0.02 . 2 . . . . 16 PRO HD2 . 15723 1 183 . 1 1 16 16 PRO HD3 H 1 3.889 0.02 . 2 . . . . 16 PRO HD3 . 15723 1 184 . 1 1 16 16 PRO HG2 H 1 2.022 0.02 . 2 . . . . 16 PRO QG . 15723 1 185 . 1 1 16 16 PRO HG3 H 1 2.022 0.02 . 2 . . . . 16 PRO QG . 15723 1 186 . 1 1 16 16 PRO CA C 13 63.358 0.35 . 1 . . . . 16 PRO CA . 15723 1 187 . 1 1 16 16 PRO CB C 13 31.187 0.35 . 1 . . . . 16 PRO CB . 15723 1 188 . 1 1 16 16 PRO CD C 13 49.857 0.35 . 1 . . . . 16 PRO CD . 15723 1 189 . 1 1 16 16 PRO CG C 13 26.939 0.35 . 1 . . . . 16 PRO CG . 15723 1 190 . 1 1 17 17 ASN H H 1 8.682 0.02 . 1 . . . . 17 ASN HN . 15723 1 191 . 1 1 17 17 ASN HA H 1 4.586 0.02 . 1 . . . . 17 ASN HA . 15723 1 192 . 1 1 17 17 ASN HB2 H 1 2.887 0.02 . 2 . . . . 17 ASN QB . 15723 1 193 . 1 1 17 17 ASN HB3 H 1 2.887 0.02 . 2 . . . . 17 ASN QB . 15723 1 194 . 1 1 17 17 ASN HD21 H 1 6.914 0.02 . 2 . . . . 17 ASN HD21 . 15723 1 195 . 1 1 17 17 ASN HD22 H 1 7.597 0.02 . 2 . . . . 17 ASN HD22 . 15723 1 196 . 1 1 17 17 ASN C C 13 174.691 0.35 . 1 . . . . 17 ASN C . 15723 1 197 . 1 1 17 17 ASN CA C 13 52.745 0.35 . 1 . . . . 17 ASN CA . 15723 1 198 . 1 1 17 17 ASN CB C 13 36.762 0.35 . 1 . . . . 17 ASN CB . 15723 1 199 . 1 1 17 17 ASN N N 15 114.315 0.35 . 1 . . . . 17 ASN N . 15723 1 200 . 1 1 17 17 ASN ND2 N 15 113.569 0.35 . 1 . . . . 17 ASN ND2 . 15723 1 201 . 1 1 18 18 ALA H H 1 7.283 0.02 . 1 . . . . 18 ALA HN . 15723 1 202 . 1 1 18 18 ALA HA H 1 4.569 0.02 . 1 . . . . 18 ALA HA . 15723 1 203 . 1 1 18 18 ALA HB1 H 1 1.542 0.02 . 2 . . . . 18 ALA QB . 15723 1 204 . 1 1 18 18 ALA HB2 H 1 1.542 0.02 . 2 . . . . 18 ALA QB . 15723 1 205 . 1 1 18 18 ALA HB3 H 1 1.542 0.02 . 2 . . . . 18 ALA QB . 15723 1 206 . 1 1 18 18 ALA C C 13 174.041 0.35 . 1 . . . . 18 ALA C . 15723 1 207 . 1 1 18 18 ALA CA C 13 51.618 0.35 . 1 . . . . 18 ALA CA . 15723 1 208 . 1 1 18 18 ALA CB C 13 20.698 0.35 . 1 . . . . 18 ALA CB . 15723 1 209 . 1 1 18 18 ALA N N 15 121.620 0.35 . 1 . . . . 18 ALA N . 15723 1 210 . 1 1 19 19 SER H H 1 8.744 0.02 . 1 . . . . 19 SER HN . 15723 1 211 . 1 1 19 19 SER HA H 1 4.479 0.02 . 1 . . . . 19 SER HA . 15723 1 212 . 1 1 19 19 SER HB2 H 1 3.484 0.02 . 2 . . . . 19 SER HB2 . 15723 1 213 . 1 1 19 19 SER HB3 H 1 3.561 0.02 . 2 . . . . 19 SER HB3 . 15723 1 214 . 1 1 19 19 SER C C 13 169.984 0.35 . 1 . . . . 19 SER C . 15723 1 215 . 1 1 19 19 SER CA C 13 56.634 0.35 . 1 . . . . 19 SER CA . 15723 1 216 . 1 1 19 19 SER CB C 13 65.044 0.35 . 1 . . . . 19 SER CB . 15723 1 217 . 1 1 19 19 SER N N 15 113.995 0.35 . 1 . . . . 19 SER N . 15723 1 218 . 1 1 20 20 PHE H H 1 7.753 0.02 . 1 . . . . 20 PHE HN . 15723 1 219 . 1 1 20 20 PHE HA H 1 3.514 0.02 . 1 . . . . 20 PHE HA . 15723 1 220 . 1 1 20 20 PHE HB2 H 1 2.208 0.02 . 2 . . . . 20 PHE HB2 . 15723 1 221 . 1 1 20 20 PHE HB3 H 1 1.755 0.02 . 2 . . . . 20 PHE HB3 . 15723 1 222 . 1 1 20 20 PHE HD1 H 1 6.927 0.02 . 3 . . . . 20 PHE QD . 15723 1 223 . 1 1 20 20 PHE HD2 H 1 6.927 0.02 . 3 . . . . 20 PHE QD . 15723 1 224 . 1 1 20 20 PHE HE1 H 1 7.370 0.02 . 3 . . . . 20 PHE QE . 15723 1 225 . 1 1 20 20 PHE HE2 H 1 7.370 0.02 . 3 . . . . 20 PHE QE . 15723 1 226 . 1 1 20 20 PHE C C 13 172.635 0.35 . 1 . . . . 20 PHE C . 15723 1 227 . 1 1 20 20 PHE CA C 13 58.070 0.35 . 1 . . . . 20 PHE CA . 15723 1 228 . 1 1 20 20 PHE CB C 13 37.588 0.35 . 1 . . . . 20 PHE CB . 15723 1 229 . 1 1 20 20 PHE CD1 C 13 129.303 0.35 . 3 . . . . 20 PHE CD1 . 15723 1 230 . 1 1 20 20 PHE CD2 C 13 129.302 0.35 . 3 . . . . 20 PHE CD2 . 15723 1 231 . 1 1 20 20 PHE CE1 C 13 128.712 0.35 . 3 . . . . 20 PHE CE1 . 15723 1 232 . 1 1 20 20 PHE CE2 C 13 128.742 0.35 . 3 . . . . 20 PHE CE2 . 15723 1 233 . 1 1 20 20 PHE N N 15 124.690 0.35 . 1 . . . . 20 PHE N . 15723 1 234 . 1 1 21 21 ASP H H 1 8.288 0.02 . 1 . . . . 21 ASP HN . 15723 1 235 . 1 1 21 21 ASP HA H 1 4.351 0.02 . 1 . . . . 21 ASP HA . 15723 1 236 . 1 1 21 21 ASP HB2 H 1 2.359 0.02 . 2 . . . . 21 ASP HB2 . 15723 1 237 . 1 1 21 21 ASP HB3 H 1 2.731 0.02 . 2 . . . . 21 ASP HB3 . 15723 1 238 . 1 1 21 21 ASP CA C 13 51.826 0.35 . 1 . . . . 21 ASP CA . 15723 1 239 . 1 1 21 21 ASP CB C 13 38.598 0.35 . 1 . . . . 21 ASP CB . 15723 1 240 . 1 1 21 21 ASP N N 15 127.080 0.35 . 1 . . . . 21 ASP N . 15723 1 241 . 1 1 22 22 ASN HA H 1 3.766 0.02 . 1 . . . . 22 ASN HA . 15723 1 242 . 1 1 22 22 ASN HB2 H 1 1.881 0.02 . 2 . . . . 22 ASN HB2 . 15723 1 243 . 1 1 22 22 ASN HB3 H 1 3.178 0.02 . 2 . . . . 22 ASN HB3 . 15723 1 244 . 1 1 22 22 ASN HD21 H 1 7.924 0.02 . 2 . . . . 22 ASN HD21 . 15723 1 245 . 1 1 22 22 ASN HD22 H 1 6.840 0.02 . 2 . . . . 22 ASN HD22 . 15723 1 246 . 1 1 22 22 ASN C C 13 171.688 0.35 . 1 . . . . 22 ASN C . 15723 1 247 . 1 1 22 22 ASN CA C 13 54.954 0.35 . 1 . . . . 22 ASN CA . 15723 1 248 . 1 1 22 22 ASN CB C 13 37.641 0.35 . 1 . . . . 22 ASN CB . 15723 1 249 . 1 1 22 22 ASN ND2 N 15 116.079 0.35 . 1 . . . . 22 ASN ND2 . 15723 1 250 . 1 1 23 23 PHE H H 1 5.484 0.02 . 1 . . . . 23 PHE HN . 15723 1 251 . 1 1 23 23 PHE HA H 1 4.804 0.02 . 1 . . . . 23 PHE HA . 15723 1 252 . 1 1 23 23 PHE HB2 H 1 2.675 0.02 . 2 . . . . 23 PHE QB . 15723 1 253 . 1 1 23 23 PHE HB3 H 1 2.675 0.02 . 2 . . . . 23 PHE QB . 15723 1 254 . 1 1 23 23 PHE HD1 H 1 7.106 0.02 . 3 . . . . 23 PHE QD . 15723 1 255 . 1 1 23 23 PHE HD2 H 1 7.106 0.02 . 3 . . . . 23 PHE QD . 15723 1 256 . 1 1 23 23 PHE HE1 H 1 7.367 0.02 . 3 . . . . 23 PHE QE . 15723 1 257 . 1 1 23 23 PHE HE2 H 1 7.367 0.02 . 3 . . . . 23 PHE QE . 15723 1 258 . 1 1 23 23 PHE HZ H 1 7.555 0.02 . 1 . . . . 23 PHE HZ . 15723 1 259 . 1 1 23 23 PHE C C 13 169.768 0.35 . 1 . . . . 23 PHE C . 15723 1 260 . 1 1 23 23 PHE CA C 13 54.649 0.35 . 1 . . . . 23 PHE CA . 15723 1 261 . 1 1 23 23 PHE CB C 13 39.850 0.35 . 1 . . . . 23 PHE CB . 15723 1 262 . 1 1 23 23 PHE CD1 C 13 130.405 0.35 . 3 . . . . 23 PHE CD1 . 15723 1 263 . 1 1 23 23 PHE CD2 C 13 130.402 0.35 . 3 . . . . 23 PHE CD2 . 15723 1 264 . 1 1 23 23 PHE CE1 C 13 128.711 0.35 . 3 . . . . 23 PHE CE1 . 15723 1 265 . 1 1 23 23 PHE CE2 C 13 128.711 0.35 . 3 . . . . 23 PHE CE2 . 15723 1 266 . 1 1 23 23 PHE CZ C 13 127.528 0.35 . 1 . . . . 23 PHE CZ . 15723 1 267 . 1 1 23 23 PHE N N 15 112.858 0.35 . 1 . . . . 23 PHE N . 15723 1 268 . 1 1 24 24 LYS H H 1 8.329 0.02 . 1 . . . . 24 LYS HN . 15723 1 269 . 1 1 24 24 LYS HA H 1 3.719 0.02 . 1 . . . . 24 LYS HA . 15723 1 270 . 1 1 24 24 LYS HB2 H 1 0.882 0.02 . 2 . . . . 24 LYS HB2 . 15723 1 271 . 1 1 24 24 LYS HB3 H 1 0.697 0.02 . 2 . . . . 24 LYS HB3 . 15723 1 272 . 1 1 24 24 LYS HD2 H 1 1.228 0.02 . 2 . . . . 24 LYS HD2 . 15723 1 273 . 1 1 24 24 LYS HD3 H 1 1.266 0.02 . 2 . . . . 24 LYS HD3 . 15723 1 274 . 1 1 24 24 LYS HE2 H 1 2.615 0.02 . 2 . . . . 24 LYS QE . 15723 1 275 . 1 1 24 24 LYS HE3 H 1 2.615 0.02 . 2 . . . . 24 LYS QE . 15723 1 276 . 1 1 24 24 LYS HG2 H 1 0.762 0.02 . 2 . . . . 24 LYS HG2 . 15723 1 277 . 1 1 24 24 LYS HG3 H 1 0.237 0.02 . 2 . . . . 24 LYS HG3 . 15723 1 278 . 1 1 24 24 LYS C C 13 171.959 0.35 . 1 . . . . 24 LYS C . 15723 1 279 . 1 1 24 24 LYS CA C 13 53.756 0.35 . 1 . . . . 24 LYS CA . 15723 1 280 . 1 1 24 24 LYS CB C 13 36.279 0.35 . 1 . . . . 24 LYS CB . 15723 1 281 . 1 1 24 24 LYS CD C 13 28.879 0.35 . 1 . . . . 24 LYS CD . 15723 1 282 . 1 1 24 24 LYS CE C 13 41.570 0.35 . 1 . . . . 24 LYS CE . 15723 1 283 . 1 1 24 24 LYS CG C 13 24.630 0.35 . 1 . . . . 24 LYS CG . 15723 1 284 . 1 1 24 24 LYS N N 15 119.724 0.35 . 1 . . . . 24 LYS N . 15723 1 285 . 1 1 25 25 LEU H H 1 9.144 0.02 . 1 . . . . 25 LEU HN . 15723 1 286 . 1 1 25 25 LEU HA H 1 5.462 0.02 . 1 . . . . 25 LEU HA . 15723 1 287 . 1 1 25 25 LEU HB2 H 1 1.587 0.02 . 2 . . . . 25 LEU HB2 . 15723 1 288 . 1 1 25 25 LEU HB3 H 1 1.058 0.02 . 2 . . . . 25 LEU HB3 . 15723 1 289 . 1 1 25 25 LEU HD11 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 290 . 1 1 25 25 LEU HD12 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 291 . 1 1 25 25 LEU HD13 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 292 . 1 1 25 25 LEU HD21 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 293 . 1 1 25 25 LEU HD22 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 294 . 1 1 25 25 LEU HD23 H 1 0.670 0.02 . 2 . . . . 25 LEU QQD . 15723 1 295 . 1 1 25 25 LEU HG H 1 1.706 0.02 . 1 . . . . 25 LEU HG . 15723 1 296 . 1 1 25 25 LEU C C 13 174.609 0.35 . 1 . . . . 25 LEU C . 15723 1 297 . 1 1 25 25 LEU CA C 13 53.208 0.35 . 1 . . . . 25 LEU CA . 15723 1 298 . 1 1 25 25 LEU CB C 13 41.419 0.35 . 1 . . . . 25 LEU CB . 15723 1 299 . 1 1 25 25 LEU CD1 C 13 21.062 0.35 . 2 . . . . 25 LEU CD1 . 15723 1 300 . 1 1 25 25 LEU CD2 C 13 24.099 0.35 . 2 . . . . 25 LEU CD2 . 15723 1 301 . 1 1 25 25 LEU CG C 13 26.878 0.35 . 1 . . . . 25 LEU CG . 15723 1 302 . 1 1 25 25 LEU N N 15 126.849 0.35 . 1 . . . . 25 LEU N . 15723 1 303 . 1 1 26 26 THR H H 1 8.956 0.02 . 1 . . . . 26 THR HN . 15723 1 304 . 1 1 26 26 THR HA H 1 4.471 0.02 . 1 . . . . 26 THR HA . 15723 1 305 . 1 1 26 26 THR HB H 1 3.988 0.02 . 1 . . . . 26 THR HB . 15723 1 306 . 1 1 26 26 THR HG21 H 1 0.838 0.02 . 2 . . . . 26 THR QG2 . 15723 1 307 . 1 1 26 26 THR HG22 H 1 0.838 0.02 . 2 . . . . 26 THR QG2 . 15723 1 308 . 1 1 26 26 THR HG23 H 1 0.838 0.02 . 2 . . . . 26 THR QG2 . 15723 1 309 . 1 1 26 26 THR C C 13 169.524 0.35 . 1 . . . . 26 THR C . 15723 1 310 . 1 1 26 26 THR CA C 13 58.769 0.35 . 1 . . . . 26 THR CA . 15723 1 311 . 1 1 26 26 THR CB C 13 69.971 0.35 . 1 . . . . 26 THR CB . 15723 1 312 . 1 1 26 26 THR CG2 C 13 20.276 0.35 . 1 . . . . 26 THR CG2 . 15723 1 313 . 1 1 26 26 THR N N 15 113.907 0.35 . 1 . . . . 26 THR N . 15723 1 314 . 1 1 27 27 CYS H H 1 8.507 0.02 . 1 . . . . 27 CYS HN . 15723 1 315 . 1 1 27 27 CYS HA H 1 4.509 0.02 . 1 . . . . 27 CYS HA . 15723 1 316 . 1 1 27 27 CYS HB2 H 1 2.607 0.02 . 2 . . . . 27 CYS HB2 . 15723 1 317 . 1 1 27 27 CYS HB3 H 1 2.963 0.02 . 2 . . . . 27 CYS HB3 . 15723 1 318 . 1 1 27 27 CYS C C 13 169.984 0.35 . 1 . . . . 27 CYS C . 15723 1 319 . 1 1 27 27 CYS CA C 13 57.948 0.35 . 1 . . . . 27 CYS CA . 15723 1 320 . 1 1 27 27 CYS CB C 13 29.529 0.35 . 1 . . . . 27 CYS CB . 15723 1 321 . 1 1 27 27 CYS N N 15 120.842 0.35 . 1 . . . . 27 CYS N . 15723 1 322 . 1 1 28 28 SER H H 1 9.044 0.02 . 1 . . . . 28 SER HN . 15723 1 323 . 1 1 28 28 SER HA H 1 4.140 0.02 . 1 . . . . 28 SER HA . 15723 1 324 . 1 1 28 28 SER HB2 H 1 3.947 0.02 . 2 . . . . 28 SER HB2 . 15723 1 325 . 1 1 28 28 SER HB3 H 1 3.908 0.02 . 2 . . . . 28 SER HB3 . 15723 1 326 . 1 1 28 28 SER C C 13 172.716 0.35 . 1 . . . . 28 SER C . 15723 1 327 . 1 1 28 28 SER CA C 13 60.986 0.35 . 1 . . . . 28 SER CA . 15723 1 328 . 1 1 28 28 SER CB C 13 61.437 0.35 . 1 . . . . 28 SER CB . 15723 1 329 . 1 1 28 28 SER N N 15 124.898 0.35 . 1 . . . . 28 SER N . 15723 1 330 . 1 1 29 29 ASN H H 1 7.825 0.02 . 1 . . . . 29 ASN HN . 15723 1 331 . 1 1 29 29 ASN HA H 1 4.951 0.02 . 1 . . . . 29 ASN HA . 15723 1 332 . 1 1 29 29 ASN HB2 H 1 2.690 0.02 . 2 . . . . 29 ASN HB2 . 15723 1 333 . 1 1 29 29 ASN HB3 H 1 3.341 0.02 . 2 . . . . 29 ASN HB3 . 15723 1 334 . 1 1 29 29 ASN HD21 H 1 6.817 0.02 . 2 . . . . 29 ASN HD21 . 15723 1 335 . 1 1 29 29 ASN HD22 H 1 7.614 0.02 . 2 . . . . 29 ASN HD22 . 15723 1 336 . 1 1 29 29 ASN C C 13 171.688 0.35 . 1 . . . . 29 ASN C . 15723 1 337 . 1 1 29 29 ASN CA C 13 52.155 0.35 . 1 . . . . 29 ASN CA . 15723 1 338 . 1 1 29 29 ASN CB C 13 36.980 0.35 . 1 . . . . 29 ASN CB . 15723 1 339 . 1 1 29 29 ASN N N 15 121.001 0.35 . 1 . . . . 29 ASN N . 15723 1 340 . 1 1 29 29 ASN ND2 N 15 114.858 0.35 . 1 . . . . 29 ASN ND2 . 15723 1 341 . 1 1 30 30 THR H H 1 8.062 0.02 . 1 . . . . 30 THR HN . 15723 1 342 . 1 1 30 30 THR HA H 1 3.901 0.02 . 1 . . . . 30 THR HA . 15723 1 343 . 1 1 30 30 THR HB H 1 4.167 0.02 . 1 . . . . 30 THR HB . 15723 1 344 . 1 1 30 30 THR HG21 H 1 1.323 0.02 . 2 . . . . 30 THR QG2 . 15723 1 345 . 1 1 30 30 THR HG22 H 1 1.323 0.02 . 2 . . . . 30 THR QG2 . 15723 1 346 . 1 1 30 30 THR HG23 H 1 1.323 0.02 . 2 . . . . 30 THR QG2 . 15723 1 347 . 1 1 30 30 THR C C 13 173.338 0.35 . 1 . . . . 30 THR C . 15723 1 348 . 1 1 30 30 THR CA C 13 64.874 0.35 . 1 . . . . 30 THR CA . 15723 1 349 . 1 1 30 30 THR CB C 13 67.715 0.35 . 1 . . . . 30 THR CB . 15723 1 350 . 1 1 30 30 THR CG2 C 13 21.610 0.35 . 1 . . . . 30 THR CG2 . 15723 1 351 . 1 1 30 30 THR N N 15 119.799 0.35 . 1 . . . . 30 THR N . 15723 1 352 . 1 1 31 31 LYS H H 1 8.015 0.02 . 1 . . . . 31 LYS HN . 15723 1 353 . 1 1 31 31 LYS HA H 1 4.119 0.02 . 1 . . . . 31 LYS HA . 15723 1 354 . 1 1 31 31 LYS HB2 H 1 1.933 0.02 . 2 . . . . 31 LYS QB . 15723 1 355 . 1 1 31 31 LYS HB3 H 1 1.933 0.02 . 2 . . . . 31 LYS QB . 15723 1 356 . 1 1 31 31 LYS HD2 H 1 1.648 0.02 . 2 . . . . 31 LYS HD2 . 15723 1 357 . 1 1 31 31 LYS HD3 H 1 1.833 0.02 . 2 . . . . 31 LYS HD3 . 15723 1 358 . 1 1 31 31 LYS HE2 H 1 3.052 0.02 . 2 . . . . 31 LYS QE . 15723 1 359 . 1 1 31 31 LYS HE3 H 1 3.052 0.02 . 2 . . . . 31 LYS QE . 15723 1 360 . 1 1 31 31 LYS HG2 H 1 1.492 0.02 . 2 . . . . 31 LYS QG . 15723 1 361 . 1 1 31 31 LYS HG3 H 1 1.492 0.02 . 2 . . . . 31 LYS QG . 15723 1 362 . 1 1 31 31 LYS C C 13 174.231 0.35 . 1 . . . . 31 LYS C . 15723 1 363 . 1 1 31 31 LYS CA C 13 58.286 0.35 . 1 . . . . 31 LYS CA . 15723 1 364 . 1 1 31 31 LYS CB C 13 31.547 0.35 . 1 . . . . 31 LYS CB . 15723 1 365 . 1 1 31 31 LYS CD C 13 27.965 0.35 . 1 . . . . 31 LYS CD . 15723 1 366 . 1 1 31 31 LYS CE C 13 41.901 0.35 . 1 . . . . 31 LYS CE . 15723 1 367 . 1 1 31 31 LYS CG C 13 24.474 0.35 . 1 . . . . 31 LYS CG . 15723 1 368 . 1 1 31 31 LYS N N 15 122.845 0.35 . 1 . . . . 31 LYS N . 15723 1 369 . 1 1 32 32 PHE H H 1 7.739 0.02 . 1 . . . . 32 PHE HN . 15723 1 370 . 1 1 32 32 PHE HA H 1 4.652 0.02 . 1 . . . . 32 PHE HA . 15723 1 371 . 1 1 32 32 PHE HB2 H 1 3.372 0.02 . 2 . . . . 32 PHE HB2 . 15723 1 372 . 1 1 32 32 PHE HB3 H 1 3.031 0.02 . 2 . . . . 32 PHE HB3 . 15723 1 373 . 1 1 32 32 PHE HD1 H 1 7.229 0.02 . 3 . . . . 32 PHE QD . 15723 1 374 . 1 1 32 32 PHE HD2 H 1 7.229 0.02 . 3 . . . . 32 PHE QD . 15723 1 375 . 1 1 32 32 PHE HE1 H 1 6.872 0.02 . 3 . . . . 32 PHE QE . 15723 1 376 . 1 1 32 32 PHE HE2 H 1 6.872 0.02 . 3 . . . . 32 PHE QE . 15723 1 377 . 1 1 32 32 PHE HZ H 1 7.001 0.02 . 1 . . . . 32 PHE HZ . 15723 1 378 . 1 1 32 32 PHE C C 13 174.691 0.35 . 1 . . . . 32 PHE C . 15723 1 379 . 1 1 32 32 PHE CA C 13 59.954 0.35 . 1 . . . . 32 PHE CA . 15723 1 380 . 1 1 32 32 PHE CB C 13 38.444 0.35 . 1 . . . . 32 PHE CB . 15723 1 381 . 1 1 32 32 PHE CD1 C 13 129.051 0.35 . 3 . . . . 32 PHE CD1 . 15723 1 382 . 1 1 32 32 PHE CD2 C 13 128.973 0.35 . 3 . . . . 32 PHE CD2 . 15723 1 383 . 1 1 32 32 PHE CE1 C 13 128.089 0.35 . 3 . . . . 32 PHE CE1 . 15723 1 384 . 1 1 32 32 PHE CE2 C 13 128.089 0.35 . 3 . . . . 32 PHE CE2 . 15723 1 385 . 1 1 32 32 PHE CZ C 13 126.302 0.35 . 1 . . . . 32 PHE CZ . 15723 1 386 . 1 1 32 32 PHE N N 15 120.100 0.35 . 1 . . . . 32 PHE N . 15723 1 387 . 1 1 33 33 ALA H H 1 6.955 0.02 . 1 . . . . 33 ALA HN . 15723 1 388 . 1 1 33 33 ALA HA H 1 3.555 0.02 . 1 . . . . 33 ALA HA . 15723 1 389 . 1 1 33 33 ALA HB1 H 1 1.279 0.02 . 1 . . . . 33 ALA QB . 15723 1 390 . 1 1 33 33 ALA HB2 H 1 1.279 0.02 . 1 . . . . 33 ALA QB . 15723 1 391 . 1 1 33 33 ALA HB3 H 1 1.279 0.02 . 1 . . . . 33 ALA QB . 15723 1 392 . 1 1 33 33 ALA C C 13 175.502 0.35 . 1 . . . . 33 ALA C . 15723 1 393 . 1 1 33 33 ALA CA C 13 54.703 0.35 . 1 . . . . 33 ALA CA . 15723 1 394 . 1 1 33 33 ALA CB C 13 17.085 0.35 . 1 . . . . 33 ALA CB . 15723 1 395 . 1 1 33 33 ALA N N 15 116.140 0.35 . 1 . . . . 33 ALA N . 15723 1 396 . 1 1 34 34 ASP H H 1 8.795 0.02 . 1 . . . . 34 ASP HN . 15723 1 397 . 1 1 34 34 ASP HA H 1 4.367 0.02 . 1 . . . . 34 ASP HA . 15723 1 398 . 1 1 34 34 ASP HB2 H 1 2.790 0.02 . 2 . . . . 34 ASP HB2 . 15723 1 399 . 1 1 34 34 ASP HB3 H 1 2.866 0.02 . 2 . . . . 34 ASP HB3 . 15723 1 400 . 1 1 34 34 ASP C C 13 176.854 0.35 . 1 . . . . 34 ASP C . 15723 1 401 . 1 1 34 34 ASP CA C 13 56.911 0.35 . 1 . . . . 34 ASP CA . 15723 1 402 . 1 1 34 34 ASP CB C 13 39.495 0.35 . 1 . . . . 34 ASP CB . 15723 1 403 . 1 1 34 34 ASP N N 15 118.170 0.35 . 1 . . . . 34 ASP N . 15723 1 404 . 1 1 35 35 ASP H H 1 8.791 0.02 . 1 . . . . 35 ASP HN . 15723 1 405 . 1 1 35 35 ASP HA H 1 4.360 0.02 . 1 . . . . 35 ASP HA . 15723 1 406 . 1 1 35 35 ASP HB2 H 1 2.799 0.02 . 2 . . . . 35 ASP HB2 . 15723 1 407 . 1 1 35 35 ASP HB3 H 1 2.298 0.02 . 2 . . . . 35 ASP HB3 . 15723 1 408 . 1 1 35 35 ASP C C 13 177.233 0.35 . 1 . . . . 35 ASP C . 15723 1 409 . 1 1 35 35 ASP CA C 13 56.890 0.35 . 1 . . . . 35 ASP CA . 15723 1 410 . 1 1 35 35 ASP CB C 13 39.291 0.35 . 1 . . . . 35 ASP CB . 15723 1 411 . 1 1 35 35 ASP N N 15 121.921 0.35 . 1 . . . . 35 ASP N . 15723 1 412 . 1 1 36 36 LEU H H 1 7.792 0.02 . 1 . . . . 36 LEU HN . 15723 1 413 . 1 1 36 36 LEU HA H 1 4.162 0.02 . 1 . . . . 36 LEU HA . 15723 1 414 . 1 1 36 36 LEU HB2 H 1 1.108 0.02 . 2 . . . . 36 LEU HB2 . 15723 1 415 . 1 1 36 36 LEU HB3 H 1 1.605 0.02 . 2 . . . . 36 LEU HB3 . 15723 1 416 . 1 1 36 36 LEU HD11 H 1 0.582 0.02 . 2 . . . . 36 LEU QD1 . 15723 1 417 . 1 1 36 36 LEU HD12 H 1 0.582 0.02 . 2 . . . . 36 LEU QD1 . 15723 1 418 . 1 1 36 36 LEU HD13 H 1 0.582 0.02 . 2 . . . . 36 LEU QD1 . 15723 1 419 . 1 1 36 36 LEU HD21 H 1 -0.013 0.02 . 2 . . . . 36 LEU QD2 . 15723 1 420 . 1 1 36 36 LEU HD22 H 1 -0.013 0.02 . 2 . . . . 36 LEU QD2 . 15723 1 421 . 1 1 36 36 LEU HD23 H 1 -0.013 0.02 . 2 . . . . 36 LEU QD2 . 15723 1 422 . 1 1 36 36 LEU HG H 1 1.291 0.02 . 1 . . . . 36 LEU HG . 15723 1 423 . 1 1 36 36 LEU C C 13 176.097 0.35 . 1 . . . . 36 LEU C . 15723 1 424 . 1 1 36 36 LEU CA C 13 57.508 0.35 . 1 . . . . 36 LEU CA . 15723 1 425 . 1 1 36 36 LEU CB C 13 41.523 0.35 . 1 . . . . 36 LEU CB . 15723 1 426 . 1 1 36 36 LEU CD1 C 13 20.945 0.35 . 2 . . . . 36 LEU CD1 . 15723 1 427 . 1 1 36 36 LEU CD2 C 13 25.548 0.35 . 2 . . . . 36 LEU CD2 . 15723 1 428 . 1 1 36 36 LEU CG C 13 25.772 0.35 . 1 . . . . 36 LEU CG . 15723 1 429 . 1 1 36 36 LEU N N 15 121.822 0.35 . 1 . . . . 36 LEU N . 15723 1 430 . 1 1 37 37 ASN H H 1 9.015 0.02 . 1 . . . . 37 ASN HN . 15723 1 431 . 1 1 37 37 ASN HA H 1 4.733 0.02 . 1 . . . . 37 ASN HA . 15723 1 432 . 1 1 37 37 ASN HB2 H 1 2.817 0.02 . 2 . . . . 37 ASN HB2 . 15723 1 433 . 1 1 37 37 ASN HB3 H 1 3.028 0.02 . 2 . . . . 37 ASN HB3 . 15723 1 434 . 1 1 37 37 ASN HD21 H 1 7.894 0.02 . 2 . . . . 37 ASN HD21 . 15723 1 435 . 1 1 37 37 ASN HD22 H 1 7.803 0.02 . 2 . . . . 37 ASN HD22 . 15723 1 436 . 1 1 37 37 ASN C C 13 176.232 0.35 . 1 . . . . 37 ASN C . 15723 1 437 . 1 1 37 37 ASN CA C 13 54.288 0.35 . 1 . . . . 37 ASN CA . 15723 1 438 . 1 1 37 37 ASN CB C 13 37.337 0.35 . 1 . . . . 37 ASN CB . 15723 1 439 . 1 1 37 37 ASN N N 15 116.904 0.35 . 1 . . . . 37 ASN N . 15723 1 440 . 1 1 37 37 ASN ND2 N 15 116.349 0.35 . 1 . . . . 37 ASN ND2 . 15723 1 441 . 1 1 38 38 GLN H H 1 8.218 0.02 . 1 . . . . 38 GLN HN . 15723 1 442 . 1 1 38 38 GLN HA H 1 4.074 0.02 . 1 . . . . 38 GLN HA . 15723 1 443 . 1 1 38 38 GLN HB2 H 1 2.245 0.02 . 2 . . . . 38 GLN HB2 . 15723 1 444 . 1 1 38 38 GLN HB3 H 1 2.220 0.02 . 2 . . . . 38 GLN HB3 . 15723 1 445 . 1 1 38 38 GLN HG2 H 1 2.508 0.02 . 2 . . . . 38 GLN HG2 . 15723 1 446 . 1 1 38 38 GLN HG3 H 1 2.394 0.02 . 2 . . . . 38 GLN HG3 . 15723 1 447 . 1 1 38 38 GLN C C 13 175.773 0.35 . 1 . . . . 38 GLN C . 15723 1 448 . 1 1 38 38 GLN CA C 13 58.134 0.35 . 1 . . . . 38 GLN CA . 15723 1 449 . 1 1 38 38 GLN CB C 13 27.676 0.35 . 1 . . . . 38 GLN CB . 15723 1 450 . 1 1 38 38 GLN CG C 13 33.452 0.35 . 1 . . . . 38 GLN CG . 15723 1 451 . 1 1 38 38 GLN N N 15 121.443 0.35 . 1 . . . . 38 GLN N . 15723 1 452 . 1 1 39 39 MET H H 1 7.487 0.02 . 1 . . . . 39 MET HN . 15723 1 453 . 1 1 39 39 MET HA H 1 3.967 0.02 . 1 . . . . 39 MET HA . 15723 1 454 . 1 1 39 39 MET HB2 H 1 2.309 0.02 . 2 . . . . 39 MET HB2 . 15723 1 455 . 1 1 39 39 MET HB3 H 1 1.982 0.02 . 2 . . . . 39 MET HB3 . 15723 1 456 . 1 1 39 39 MET HE1 H 1 1.519 0.02 . 2 . . . . 39 MET QE . 15723 1 457 . 1 1 39 39 MET HE2 H 1 1.519 0.02 . 2 . . . . 39 MET QE . 15723 1 458 . 1 1 39 39 MET HE3 H 1 1.519 0.02 . 2 . . . . 39 MET QE . 15723 1 459 . 1 1 39 39 MET HG2 H 1 2.733 0.02 . 2 . . . . 39 MET HG2 . 15723 1 460 . 1 1 39 39 MET HG3 H 1 2.432 0.02 . 2 . . . . 39 MET HG3 . 15723 1 461 . 1 1 39 39 MET C C 13 176.259 0.35 . 1 . . . . 39 MET C . 15723 1 462 . 1 1 39 39 MET CA C 13 58.374 0.35 . 1 . . . . 39 MET CA . 15723 1 463 . 1 1 39 39 MET CB C 13 33.000 0.35 . 1 . . . . 39 MET CB . 15723 1 464 . 1 1 39 39 MET CE C 13 16.127 0.35 . 1 . . . . 39 MET CE . 15723 1 465 . 1 1 39 39 MET CG C 13 31.670 0.35 . 1 . . . . 39 MET CG . 15723 1 466 . 1 1 39 39 MET N N 15 118.793 0.35 . 1 . . . . 39 MET N . 15723 1 467 . 1 1 40 40 THR H H 1 7.873 0.02 . 1 . . . . 40 THR HN . 15723 1 468 . 1 1 40 40 THR HA H 1 3.769 0.02 . 1 . . . . 40 THR HA . 15723 1 469 . 1 1 40 40 THR HB H 1 3.184 0.02 . 1 . . . . 40 THR HB . 15723 1 470 . 1 1 40 40 THR HG21 H 1 1.319 0.02 . 2 . . . . 40 THR QG2 . 15723 1 471 . 1 1 40 40 THR HG22 H 1 1.319 0.02 . 2 . . . . 40 THR QG2 . 15723 1 472 . 1 1 40 40 THR HG23 H 1 1.319 0.02 . 2 . . . . 40 THR QG2 . 15723 1 473 . 1 1 40 40 THR C C 13 173.906 0.35 . 1 . . . . 40 THR C . 15723 1 474 . 1 1 40 40 THR CA C 13 61.739 0.35 . 1 . . . . 40 THR CA . 15723 1 475 . 1 1 40 40 THR CB C 13 68.427 0.35 . 1 . . . . 40 THR CB . 15723 1 476 . 1 1 40 40 THR CG2 C 13 21.641 0.35 . 1 . . . . 40 THR CG2 . 15723 1 477 . 1 1 40 40 THR N N 15 108.945 0.35 . 1 . . . . 40 THR N . 15723 1 478 . 1 1 41 41 GLY H H 1 7.199 0.02 . 1 . . . . 41 GLY HN . 15723 1 479 . 1 1 41 41 GLY HA2 H 1 3.899 0.02 . 2 . . . . 41 GLY HA1 . 15723 1 480 . 1 1 41 41 GLY HA3 H 1 3.662 0.02 . 2 . . . . 41 GLY HA2 . 15723 1 481 . 1 1 41 41 GLY C C 13 171.661 0.35 . 1 . . . . 41 GLY C . 15723 1 482 . 1 1 41 41 GLY CA C 13 44.926 0.35 . 1 . . . . 41 GLY CA . 15723 1 483 . 1 1 41 41 GLY N N 15 106.430 0.35 . 1 . . . . 41 GLY N . 15723 1 484 . 1 1 42 42 PHE H H 1 7.876 0.02 . 1 . . . . 42 PHE HN . 15723 1 485 . 1 1 42 42 PHE HA H 1 4.682 0.02 . 1 . . . . 42 PHE HA . 15723 1 486 . 1 1 42 42 PHE HB2 H 1 2.674 0.02 . 2 . . . . 42 PHE HB2 . 15723 1 487 . 1 1 42 42 PHE HB3 H 1 3.605 0.02 . 2 . . . . 42 PHE HB3 . 15723 1 488 . 1 1 42 42 PHE HD1 H 1 6.807 0.02 . 3 . . . . 42 PHE QD . 15723 1 489 . 1 1 42 42 PHE HD2 H 1 6.807 0.02 . 3 . . . . 42 PHE QD . 15723 1 490 . 1 1 42 42 PHE HE1 H 1 6.989 0.02 . 3 . . . . 42 PHE QE . 15723 1 491 . 1 1 42 42 PHE HE2 H 1 6.989 0.02 . 3 . . . . 42 PHE QE . 15723 1 492 . 1 1 42 42 PHE HZ H 1 7.064 0.02 . 1 . . . . 42 PHE HZ . 15723 1 493 . 1 1 42 42 PHE C C 13 171.499 0.35 . 1 . . . . 42 PHE C . 15723 1 494 . 1 1 42 42 PHE CA C 13 57.793 0.35 . 1 . . . . 42 PHE CA . 15723 1 495 . 1 1 42 42 PHE CB C 13 39.422 0.35 . 1 . . . . 42 PHE CB . 15723 1 496 . 1 1 42 42 PHE CD1 C 13 129.809 0.35 . 3 . . . . 42 PHE CD1 . 15723 1 497 . 1 1 42 42 PHE CD2 C 13 129.809 0.35 . 3 . . . . 42 PHE CD2 . 15723 1 498 . 1 1 42 42 PHE CE1 C 13 127.747 0.35 . 3 . . . . 42 PHE CE1 . 15723 1 499 . 1 1 42 42 PHE CE2 C 13 127.744 0.35 . 3 . . . . 42 PHE CE2 . 15723 1 500 . 1 1 42 42 PHE CZ C 13 125.894 0.35 . 1 . . . . 42 PHE CZ . 15723 1 501 . 1 1 42 42 PHE N N 15 122.221 0.35 . 1 . . . . 42 PHE N . 15723 1 502 . 1 1 43 43 THR H H 1 8.418 0.02 . 1 . . . . 43 THR HN . 15723 1 503 . 1 1 43 43 THR HA H 1 3.665 0.02 . 1 . . . . 43 THR HA . 15723 1 504 . 1 1 43 43 THR HB H 1 3.675 0.02 . 1 . . . . 43 THR HB . 15723 1 505 . 1 1 43 43 THR HG21 H 1 0.972 0.02 . 2 . . . . 43 THR QG2 . 15723 1 506 . 1 1 43 43 THR HG22 H 1 0.972 0.02 . 2 . . . . 43 THR QG2 . 15723 1 507 . 1 1 43 43 THR HG23 H 1 0.972 0.02 . 2 . . . . 43 THR QG2 . 15723 1 508 . 1 1 43 43 THR C C 13 168.767 0.35 . 1 . . . . 43 THR C . 15723 1 509 . 1 1 43 43 THR CA C 13 59.002 0.35 . 1 . . . . 43 THR CA . 15723 1 510 . 1 1 43 43 THR CB C 13 70.919 0.35 . 1 . . . . 43 THR CB . 15723 1 511 . 1 1 43 43 THR CG2 C 13 19.898 0.35 . 1 . . . . 43 THR CG2 . 15723 1 512 . 1 1 43 43 THR N N 15 123.470 0.35 . 1 . . . . 43 THR N . 15723 1 513 . 1 1 44 44 LYS H H 1 7.999 0.02 . 1 . . . . 44 LYS HN . 15723 1 514 . 1 1 44 44 LYS HA H 1 3.924 0.02 . 1 . . . . 44 LYS HA . 15723 1 515 . 1 1 44 44 LYS HB2 H 1 1.698 0.02 . 2 . . . . 44 LYS HB2 . 15723 1 516 . 1 1 44 44 LYS HB3 H 1 1.644 0.02 . 2 . . . . 44 LYS HB3 . 15723 1 517 . 1 1 44 44 LYS HD2 H 1 1.600 0.02 . 2 . . . . 44 LYS QD . 15723 1 518 . 1 1 44 44 LYS HD3 H 1 1.600 0.02 . 2 . . . . 44 LYS QD . 15723 1 519 . 1 1 44 44 LYS HE2 H 1 2.909 0.02 . 2 . . . . 44 LYS QE . 15723 1 520 . 1 1 44 44 LYS HE3 H 1 2.909 0.02 . 2 . . . . 44 LYS QE . 15723 1 521 . 1 1 44 44 LYS HG2 H 1 1.356 0.02 . 2 . . . . 44 LYS QG . 15723 1 522 . 1 1 44 44 LYS HG3 H 1 1.356 0.02 . 2 . . . . 44 LYS QG . 15723 1 523 . 1 1 44 44 LYS CA C 13 54.785 0.35 . 1 . . . . 44 LYS CA . 15723 1 524 . 1 1 44 44 LYS CB C 13 31.047 0.35 . 1 . . . . 44 LYS CB . 15723 1 525 . 1 1 44 44 LYS CD C 13 29.013 0.35 . 1 . . . . 44 LYS CD . 15723 1 526 . 1 1 44 44 LYS CE C 13 41.262 0.35 . 1 . . . . 44 LYS CE . 15723 1 527 . 1 1 44 44 LYS CG C 13 24.095 0.35 . 1 . . . . 44 LYS CG . 15723 1 528 . 1 1 44 44 LYS N N 15 124.728 0.35 . 1 . . . . 44 LYS N . 15723 1 529 . 1 1 45 45 PRO HA H 1 4.581 0.02 . 1 . . . . 45 PRO HA . 15723 1 530 . 1 1 45 45 PRO HB2 H 1 2.235 0.02 . 2 . . . . 45 PRO HB2 . 15723 1 531 . 1 1 45 45 PRO HB3 H 1 1.999 0.02 . 2 . . . . 45 PRO HB3 . 15723 1 532 . 1 1 45 45 PRO HD2 H 1 3.356 0.02 . 2 . . . . 45 PRO HD2 . 15723 1 533 . 1 1 45 45 PRO HD3 H 1 3.501 0.02 . 2 . . . . 45 PRO HD3 . 15723 1 534 . 1 1 45 45 PRO HG2 H 1 1.865 0.02 . 2 . . . . 45 PRO QG . 15723 1 535 . 1 1 45 45 PRO HG3 H 1 1.865 0.02 . 2 . . . . 45 PRO QG . 15723 1 536 . 1 1 45 45 PRO C C 13 172.770 0.35 . 1 . . . . 45 PRO C . 15723 1 537 . 1 1 45 45 PRO CA C 13 60.970 0.35 . 1 . . . . 45 PRO CA . 15723 1 538 . 1 1 45 45 PRO CB C 13 33.754 0.35 . 1 . . . . 45 PRO CB . 15723 1 539 . 1 1 45 45 PRO CD C 13 49.680 0.35 . 1 . . . . 45 PRO CD . 15723 1 540 . 1 1 45 45 PRO CG C 13 23.653 0.35 . 1 . . . . 45 PRO CG . 15723 1 541 . 1 1 46 46 ALA H H 1 8.715 0.02 . 1 . . . . 46 ALA HN . 15723 1 542 . 1 1 46 46 ALA HA H 1 4.674 0.02 . 1 . . . . 46 ALA HA . 15723 1 543 . 1 1 46 46 ALA HB1 H 1 1.387 0.02 . 2 . . . . 46 ALA QB . 15723 1 544 . 1 1 46 46 ALA HB2 H 1 1.387 0.02 . 2 . . . . 46 ALA QB . 15723 1 545 . 1 1 46 46 ALA HB3 H 1 1.387 0.02 . 2 . . . . 46 ALA QB . 15723 1 546 . 1 1 46 46 ALA C C 13 175.827 0.35 . 1 . . . . 46 ALA C . 15723 1 547 . 1 1 46 46 ALA CA C 13 50.851 0.35 . 1 . . . . 46 ALA CA . 15723 1 548 . 1 1 46 46 ALA CB C 13 20.458 0.35 . 1 . . . . 46 ALA CB . 15723 1 549 . 1 1 46 46 ALA N N 15 123.249 0.35 . 1 . . . . 46 ALA N . 15723 1 550 . 1 1 47 47 SER H H 1 8.518 0.02 . 1 . . . . 47 SER HN . 15723 1 551 . 1 1 47 47 SER HA H 1 4.202 0.02 . 1 . . . . 47 SER HA . 15723 1 552 . 1 1 47 47 SER HB2 H 1 3.930 0.02 . 2 . . . . 47 SER HB2 . 15723 1 553 . 1 1 47 47 SER HB3 H 1 3.832 0.02 . 2 . . . . 47 SER HB3 . 15723 1 554 . 1 1 47 47 SER C C 13 171.769 0.35 . 1 . . . . 47 SER C . 15723 1 555 . 1 1 47 47 SER CA C 13 58.740 0.35 . 1 . . . . 47 SER CA . 15723 1 556 . 1 1 47 47 SER CB C 13 62.419 0.35 . 1 . . . . 47 SER CB . 15723 1 557 . 1 1 47 47 SER N N 15 117.696 0.35 . 1 . . . . 47 SER N . 15723 1 558 . 1 1 48 48 ARG H H 1 7.276 0.02 . 1 . . . . 48 ARG HN . 15723 1 559 . 1 1 48 48 ARG HA H 1 4.466 0.02 . 1 . . . . 48 ARG HA . 15723 1 560 . 1 1 48 48 ARG HB2 H 1 1.658 0.02 . 2 . . . . 48 ARG HB2 . 15723 1 561 . 1 1 48 48 ARG HB3 H 1 2.000 0.02 . 2 . . . . 48 ARG HB3 . 15723 1 562 . 1 1 48 48 ARG HD2 H 1 3.105 0.02 . 2 . . . . 48 ARG HD2 . 15723 1 563 . 1 1 48 48 ARG HD3 H 1 2.846 0.02 . 2 . . . . 48 ARG HD3 . 15723 1 564 . 1 1 48 48 ARG HG2 H 1 1.054 0.02 . 2 . . . . 48 ARG HG2 . 15723 1 565 . 1 1 48 48 ARG HG3 H 1 1.508 0.02 . 2 . . . . 48 ARG HG3 . 15723 1 566 . 1 1 48 48 ARG C C 13 170.417 0.35 . 1 . . . . 48 ARG C . 15723 1 567 . 1 1 48 48 ARG CA C 13 54.164 0.35 . 1 . . . . 48 ARG CA . 15723 1 568 . 1 1 48 48 ARG CB C 13 29.775 0.35 . 1 . . . . 48 ARG CB . 15723 1 569 . 1 1 48 48 ARG CD C 13 42.947 0.35 . 1 . . . . 48 ARG CD . 15723 1 570 . 1 1 48 48 ARG CG C 13 25.289 0.35 . 1 . . . . 48 ARG CG . 15723 1 571 . 1 1 48 48 ARG N N 15 115.830 0.35 . 1 . . . . 48 ARG N . 15723 1 572 . 1 1 49 49 GLU H H 1 8.681 0.02 . 1 . . . . 49 GLU HN . 15723 1 573 . 1 1 49 49 GLU HA H 1 5.373 0.02 . 1 . . . . 49 GLU HA . 15723 1 574 . 1 1 49 49 GLU HB2 H 1 1.707 0.02 . 2 . . . . 49 GLU QB . 15723 1 575 . 1 1 49 49 GLU HB3 H 1 1.707 0.02 . 2 . . . . 49 GLU QB . 15723 1 576 . 1 1 49 49 GLU HG2 H 1 2.048 0.02 . 2 . . . . 49 GLU HG2 . 15723 1 577 . 1 1 49 49 GLU HG3 H 1 1.778 0.02 . 2 . . . . 49 GLU HG3 . 15723 1 578 . 1 1 49 49 GLU C C 13 172.716 0.35 . 1 . . . . 49 GLU C . 15723 1 579 . 1 1 49 49 GLU CA C 13 53.744 0.35 . 1 . . . . 49 GLU CA . 15723 1 580 . 1 1 49 49 GLU CB C 13 32.057 0.35 . 1 . . . . 49 GLU CB . 15723 1 581 . 1 1 49 49 GLU CG C 13 36.104 0.35 . 1 . . . . 49 GLU CG . 15723 1 582 . 1 1 49 49 GLU N N 15 119.800 0.35 . 1 . . . . 49 GLU N . 15723 1 583 . 1 1 50 50 LEU H H 1 8.720 0.02 . 1 . . . . 50 LEU HN . 15723 1 584 . 1 1 50 50 LEU HA H 1 4.821 0.02 . 1 . . . . 50 LEU HA . 15723 1 585 . 1 1 50 50 LEU HB2 H 1 1.469 0.02 . 2 . . . . 50 LEU HB2 . 15723 1 586 . 1 1 50 50 LEU HB3 H 1 1.013 0.02 . 2 . . . . 50 LEU HB3 . 15723 1 587 . 1 1 50 50 LEU HD11 H 1 0.582 0.02 . 2 . . . . 50 LEU QD1 . 15723 1 588 . 1 1 50 50 LEU HD12 H 1 0.582 0.02 . 2 . . . . 50 LEU QD1 . 15723 1 589 . 1 1 50 50 LEU HD13 H 1 0.582 0.02 . 2 . . . . 50 LEU QD1 . 15723 1 590 . 1 1 50 50 LEU HD21 H 1 0.198 0.02 . 2 . . . . 50 LEU QD2 . 15723 1 591 . 1 1 50 50 LEU HD22 H 1 0.198 0.02 . 2 . . . . 50 LEU QD2 . 15723 1 592 . 1 1 50 50 LEU HD23 H 1 0.198 0.02 . 2 . . . . 50 LEU QD2 . 15723 1 593 . 1 1 50 50 LEU HG H 1 1.151 0.02 . 1 . . . . 50 LEU HG . 15723 1 594 . 1 1 50 50 LEU C C 13 171.932 0.35 . 1 . . . . 50 LEU C . 15723 1 595 . 1 1 50 50 LEU CA C 13 52.447 0.35 . 1 . . . . 50 LEU CA . 15723 1 596 . 1 1 50 50 LEU CB C 13 44.748 0.35 . 1 . . . . 50 LEU CB . 15723 1 597 . 1 1 50 50 LEU CD1 C 13 23.407 0.35 . 2 . . . . 50 LEU CD1 . 15723 1 598 . 1 1 50 50 LEU CD2 C 13 25.008 0.35 . 2 . . . . 50 LEU CD2 . 15723 1 599 . 1 1 50 50 LEU CG C 13 26.753 0.35 . 1 . . . . 50 LEU CG . 15723 1 600 . 1 1 50 50 LEU N N 15 124.747 0.35 . 1 . . . . 50 LEU N . 15723 1 601 . 1 1 51 51 SER H H 1 9.560 0.02 . 1 . . . . 51 SER HN . 15723 1 602 . 1 1 51 51 SER HA H 1 4.881 0.02 . 1 . . . . 51 SER HA . 15723 1 603 . 1 1 51 51 SER HB2 H 1 3.667 0.02 . 2 . . . . 51 SER QB . 15723 1 604 . 1 1 51 51 SER HB3 H 1 3.667 0.02 . 2 . . . . 51 SER QB . 15723 1 605 . 1 1 51 51 SER C C 13 171.769 0.35 . 1 . . . . 51 SER C . 15723 1 606 . 1 1 51 51 SER CA C 13 55.707 0.35 . 1 . . . . 51 SER CA . 15723 1 607 . 1 1 51 51 SER CB C 13 64.701 0.35 . 1 . . . . 51 SER CB . 15723 1 608 . 1 1 51 51 SER N N 15 119.156 0.35 . 1 . . . . 51 SER N . 15723 1 609 . 1 1 52 52 VAL H H 1 8.416 0.02 . 1 . . . . 52 VAL HN . 15723 1 610 . 1 1 52 52 VAL HA H 1 5.196 0.02 . 1 . . . . 52 VAL HA . 15723 1 611 . 1 1 52 52 VAL HB H 1 1.774 0.02 . 1 . . . . 52 VAL HB . 15723 1 612 . 1 1 52 52 VAL HG11 H 1 0.673 0.02 . 2 . . . . 52 VAL QG1 . 15723 1 613 . 1 1 52 52 VAL HG12 H 1 0.673 0.02 . 2 . . . . 52 VAL QG1 . 15723 1 614 . 1 1 52 52 VAL HG13 H 1 0.673 0.02 . 2 . . . . 52 VAL QG1 . 15723 1 615 . 1 1 52 52 VAL HG21 H 1 0.414 0.02 . 2 . . . . 52 VAL QG2 . 15723 1 616 . 1 1 52 52 VAL HG22 H 1 0.414 0.02 . 2 . . . . 52 VAL QG2 . 15723 1 617 . 1 1 52 52 VAL HG23 H 1 0.414 0.02 . 2 . . . . 52 VAL QG2 . 15723 1 618 . 1 1 52 52 VAL CA C 13 59.207 0.35 . 1 . . . . 52 VAL CA . 15723 1 619 . 1 1 52 52 VAL CB C 13 33.156 0.35 . 1 . . . . 52 VAL CB . 15723 1 620 . 1 1 52 52 VAL CG1 C 13 21.096 0.35 . 2 . . . . 52 VAL CG1 . 15723 1 621 . 1 1 52 52 VAL CG2 C 13 20.994 0.35 . 2 . . . . 52 VAL CG2 . 15723 1 622 . 1 1 52 52 VAL N N 15 121.797 0.35 . 1 . . . . 52 VAL N . 15723 1 623 . 1 1 53 53 THR H H 1 8.383 0.02 . 1 . . . . 53 THR HN . 15723 1 624 . 1 1 53 53 THR HA H 1 4.358 0.02 . 1 . . . . 53 THR HA . 15723 1 625 . 1 1 53 53 THR HB H 1 4.053 0.02 . 1 . . . . 53 THR HB . 15723 1 626 . 1 1 53 53 THR HG21 H 1 0.836 0.02 . 2 . . . . 53 THR QG2 . 15723 1 627 . 1 1 53 53 THR HG22 H 1 0.836 0.02 . 2 . . . . 53 THR QG2 . 15723 1 628 . 1 1 53 53 THR HG23 H 1 0.836 0.02 . 2 . . . . 53 THR QG2 . 15723 1 629 . 1 1 53 53 THR C C 13 169.741 0.35 . 1 . . . . 53 THR C . 15723 1 630 . 1 1 53 53 THR CA C 13 58.375 0.35 . 1 . . . . 53 THR CA . 15723 1 631 . 1 1 53 53 THR CB C 13 70.707 0.35 . 1 . . . . 53 THR CB . 15723 1 632 . 1 1 53 53 THR CG2 C 13 21.342 0.35 . 1 . . . . 53 THR CG2 . 15723 1 633 . 1 1 53 53 THR N N 15 117.287 0.35 . 1 . . . . 53 THR N . 15723 1 634 . 1 1 54 54 PHE H H 1 8.737 0.02 . 1 . . . . 54 PHE HN . 15723 1 635 . 1 1 54 54 PHE HA H 1 4.536 0.02 . 1 . . . . 54 PHE HA . 15723 1 636 . 1 1 54 54 PHE HB2 H 1 2.679 0.02 . 2 . . . . 54 PHE HB2 . 15723 1 637 . 1 1 54 54 PHE HB3 H 1 2.732 0.02 . 2 . . . . 54 PHE HB3 . 15723 1 638 . 1 1 54 54 PHE HD1 H 1 6.312 0.02 . 3 . . . . 54 PHE QD . 15723 1 639 . 1 1 54 54 PHE HD2 H 1 6.312 0.02 . 3 . . . . 54 PHE QD . 15723 1 640 . 1 1 54 54 PHE HE1 H 1 6.022 0.02 . 3 . . . . 54 PHE QE . 15723 1 641 . 1 1 54 54 PHE HE2 H 1 6.022 0.02 . 3 . . . . 54 PHE QE . 15723 1 642 . 1 1 54 54 PHE HZ H 1 6.222 0.02 . 1 . . . . 54 PHE HZ . 15723 1 643 . 1 1 54 54 PHE C C 13 172.986 0.35 . 1 . . . . 54 PHE C . 15723 1 644 . 1 1 54 54 PHE CA C 13 57.064 0.35 . 1 . . . . 54 PHE CA . 15723 1 645 . 1 1 54 54 PHE CB C 13 38.755 0.35 . 1 . . . . 54 PHE CB . 15723 1 646 . 1 1 54 54 PHE CD1 C 13 129.065 0.35 . 3 . . . . 54 PHE CD1 . 15723 1 647 . 1 1 54 54 PHE CD2 C 13 129.065 0.35 . 3 . . . . 54 PHE CD2 . 15723 1 648 . 1 1 54 54 PHE CE1 C 13 126.960 0.35 . 3 . . . . 54 PHE CE1 . 15723 1 649 . 1 1 54 54 PHE CE2 C 13 126.960 0.35 . 3 . . . . 54 PHE CE2 . 15723 1 650 . 1 1 54 54 PHE CZ C 13 126.823 0.35 . 1 . . . . 54 PHE CZ . 15723 1 651 . 1 1 54 54 PHE N N 15 118.180 0.35 . 1 . . . . 54 PHE N . 15723 1 652 . 1 1 55 55 PHE H H 1 9.167 0.02 . 1 . . . . 55 PHE HN . 15723 1 653 . 1 1 55 55 PHE HA H 1 3.715 0.02 . 1 . . . . 55 PHE HA . 15723 1 654 . 1 1 55 55 PHE HB2 H 1 2.841 0.02 . 2 . . . . 55 PHE HB2 . 15723 1 655 . 1 1 55 55 PHE HB3 H 1 3.413 0.02 . 2 . . . . 55 PHE HB3 . 15723 1 656 . 1 1 55 55 PHE HD1 H 1 6.907 0.02 . 3 . . . . 55 PHE QD . 15723 1 657 . 1 1 55 55 PHE HD2 H 1 6.907 0.02 . 3 . . . . 55 PHE QD . 15723 1 658 . 1 1 55 55 PHE HE1 H 1 7.259 0.02 . 3 . . . . 55 PHE QE . 15723 1 659 . 1 1 55 55 PHE HE2 H 1 7.259 0.02 . 3 . . . . 55 PHE QE . 15723 1 660 . 1 1 55 55 PHE CA C 13 57.908 0.35 . 1 . . . . 55 PHE CA . 15723 1 661 . 1 1 55 55 PHE CB C 13 39.594 0.35 . 1 . . . . 55 PHE CB . 15723 1 662 . 1 1 55 55 PHE CD1 C 13 129.001 0.35 . 3 . . . . 55 PHE CD1 . 15723 1 663 . 1 1 55 55 PHE CD2 C 13 129.137 0.35 . 3 . . . . 55 PHE CD2 . 15723 1 664 . 1 1 55 55 PHE CE1 C 13 129.104 0.35 . 3 . . . . 55 PHE CE1 . 15723 1 665 . 1 1 55 55 PHE CE2 C 13 129.104 0.35 . 3 . . . . 55 PHE CE2 . 15723 1 666 . 1 1 55 55 PHE N N 15 128.290 0.35 . 1 . . . . 55 PHE N . 15723 1 667 . 1 1 56 56 PRO HA H 1 2.356 0.02 . 1 . . . . 56 PRO HA . 15723 1 668 . 1 1 56 56 PRO HB2 H 1 1.824 0.02 . 2 . . . . 56 PRO HB2 . 15723 1 669 . 1 1 56 56 PRO HB3 H 1 1.088 0.02 . 2 . . . . 56 PRO HB3 . 15723 1 670 . 1 1 56 56 PRO HD2 H 1 3.398 0.02 . 2 . . . . 56 PRO QD . 15723 1 671 . 1 1 56 56 PRO HD3 H 1 3.398 0.02 . 2 . . . . 56 PRO QD . 15723 1 672 . 1 1 56 56 PRO HG2 H 1 1.383 0.02 . 2 . . . . 56 PRO QG . 15723 1 673 . 1 1 56 56 PRO HG3 H 1 1.383 0.02 . 2 . . . . 56 PRO QG . 15723 1 674 . 1 1 56 56 PRO C C 13 171.012 0.35 . 1 . . . . 56 PRO C . 15723 1 675 . 1 1 56 56 PRO CA C 13 62.611 0.35 . 1 . . . . 56 PRO CA . 15723 1 676 . 1 1 56 56 PRO CB C 13 32.522 0.35 . 1 . . . . 56 PRO CB . 15723 1 677 . 1 1 56 56 PRO CD C 13 49.796 0.35 . 1 . . . . 56 PRO CD . 15723 1 678 . 1 1 56 56 PRO CG C 13 23.575 0.35 . 1 . . . . 56 PRO CG . 15723 1 679 . 1 1 57 57 ASP H H 1 9.009 0.02 . 1 . . . . 57 ASP HN . 15723 1 680 . 1 1 57 57 ASP HA H 1 4.289 0.02 . 1 . . . . 57 ASP HA . 15723 1 681 . 1 1 57 57 ASP HB2 H 1 2.460 0.02 . 2 . . . . 57 ASP HB2 . 15723 1 682 . 1 1 57 57 ASP HB3 H 1 3.175 0.02 . 2 . . . . 57 ASP HB3 . 15723 1 683 . 1 1 57 57 ASP C C 13 173.257 0.35 . 1 . . . . 57 ASP C . 15723 1 684 . 1 1 57 57 ASP CA C 13 53.752 0.35 . 1 . . . . 57 ASP CA . 15723 1 685 . 1 1 57 57 ASP CB C 13 40.067 0.35 . 1 . . . . 57 ASP CB . 15723 1 686 . 1 1 57 57 ASP N N 15 127.876 0.35 . 1 . . . . 57 ASP N . 15723 1 687 . 1 1 58 58 LEU H H 1 8.368 0.02 . 1 . . . . 58 LEU HN . 15723 1 688 . 1 1 58 58 LEU HA H 1 4.229 0.02 . 1 . . . . 58 LEU HA . 15723 1 689 . 1 1 58 58 LEU HB2 H 1 1.482 0.02 . 2 . . . . 58 LEU HB2 . 15723 1 690 . 1 1 58 58 LEU HB3 H 1 1.612 0.02 . 2 . . . . 58 LEU HB3 . 15723 1 691 . 1 1 58 58 LEU HD11 H 1 0.786 0.02 . 2 . . . . 58 LEU QD1 . 15723 1 692 . 1 1 58 58 LEU HD12 H 1 0.786 0.02 . 2 . . . . 58 LEU QD1 . 15723 1 693 . 1 1 58 58 LEU HD13 H 1 0.786 0.02 . 2 . . . . 58 LEU QD1 . 15723 1 694 . 1 1 58 58 LEU HD21 H 1 0.616 0.02 . 2 . . . . 58 LEU QD2 . 15723 1 695 . 1 1 58 58 LEU HD22 H 1 0.616 0.02 . 2 . . . . 58 LEU QD2 . 15723 1 696 . 1 1 58 58 LEU HD23 H 1 0.616 0.02 . 2 . . . . 58 LEU QD2 . 15723 1 697 . 1 1 58 58 LEU HG H 1 1.530 0.02 . 1 . . . . 58 LEU HG . 15723 1 698 . 1 1 58 58 LEU C C 13 174.285 0.35 . 1 . . . . 58 LEU C . 15723 1 699 . 1 1 58 58 LEU CA C 13 52.468 0.35 . 1 . . . . 58 LEU CA . 15723 1 700 . 1 1 58 58 LEU CB C 13 40.258 0.35 . 1 . . . . 58 LEU CB . 15723 1 701 . 1 1 58 58 LEU CD1 C 13 24.800 0.35 . 2 . . . . 58 LEU CD1 . 15723 1 702 . 1 1 58 58 LEU CD2 C 13 23.477 0.35 . 2 . . . . 58 LEU CD2 . 15723 1 703 . 1 1 58 58 LEU CG C 13 26.164 0.35 . 1 . . . . 58 LEU CG . 15723 1 704 . 1 1 58 58 LEU N N 15 128.010 0.35 . 1 . . . . 58 LEU N . 15723 1 705 . 1 1 59 59 ASN H H 1 8.430 0.02 . 1 . . . . 59 ASN HN . 15723 1 706 . 1 1 59 59 ASN HA H 1 4.198 0.02 . 1 . . . . 59 ASN HA . 15723 1 707 . 1 1 59 59 ASN HB2 H 1 2.869 0.02 . 2 . . . . 59 ASN HB2 . 15723 1 708 . 1 1 59 59 ASN HB3 H 1 2.495 0.02 . 2 . . . . 59 ASN HB3 . 15723 1 709 . 1 1 59 59 ASN HD21 H 1 7.964 0.02 . 2 . . . . 59 ASN HD21 . 15723 1 710 . 1 1 59 59 ASN HD22 H 1 6.838 0.02 . 2 . . . . 59 ASN HD22 . 15723 1 711 . 1 1 59 59 ASN C C 13 173.636 0.35 . 1 . . . . 59 ASN C . 15723 1 712 . 1 1 59 59 ASN CA C 13 54.945 0.35 . 1 . . . . 59 ASN CA . 15723 1 713 . 1 1 59 59 ASN CB C 13 38.175 0.35 . 1 . . . . 59 ASN CB . 15723 1 714 . 1 1 59 59 ASN N N 15 116.745 0.35 . 1 . . . . 59 ASN N . 15723 1 715 . 1 1 59 59 ASN ND2 N 15 115.735 0.35 . 1 . . . . 59 ASN ND2 . 15723 1 716 . 1 1 60 60 GLY H H 1 8.083 0.02 . 1 . . . . 60 GLY HN . 15723 1 717 . 1 1 60 60 GLY HA2 H 1 3.766 0.02 . 2 . . . . 60 GLY HA1 . 15723 1 718 . 1 1 60 60 GLY HA3 H 1 3.326 0.02 . 2 . . . . 60 GLY HA2 . 15723 1 719 . 1 1 60 60 GLY C C 13 169.876 0.35 . 1 . . . . 60 GLY C . 15723 1 720 . 1 1 60 60 GLY CA C 13 44.285 0.35 . 1 . . . . 60 GLY CA . 15723 1 721 . 1 1 60 60 GLY N N 15 110.045 0.35 . 1 . . . . 60 GLY N . 15723 1 722 . 1 1 61 61 ASP H H 1 8.084 0.02 . 1 . . . . 61 ASP HN . 15723 1 723 . 1 1 61 61 ASP HA H 1 4.200 0.02 . 1 . . . . 61 ASP HA . 15723 1 724 . 1 1 61 61 ASP HB2 H 1 2.723 0.02 . 2 . . . . 61 ASP HB2 . 15723 1 725 . 1 1 61 61 ASP HB3 H 1 2.584 0.02 . 2 . . . . 61 ASP HB3 . 15723 1 726 . 1 1 61 61 ASP C C 13 172.283 0.35 . 1 . . . . 61 ASP C . 15723 1 727 . 1 1 61 61 ASP CA C 13 56.865 0.35 . 1 . . . . 61 ASP CA . 15723 1 728 . 1 1 61 61 ASP CB C 13 42.113 0.35 . 1 . . . . 61 ASP CB . 15723 1 729 . 1 1 61 61 ASP N N 15 121.395 0.35 . 1 . . . . 61 ASP N . 15723 1 730 . 1 1 62 62 VAL H H 1 8.387 0.02 . 1 . . . . 62 VAL HN . 15723 1 731 . 1 1 62 62 VAL HA H 1 4.096 0.02 . 1 . . . . 62 VAL HA . 15723 1 732 . 1 1 62 62 VAL HB H 1 1.683 0.02 . 1 . . . . 62 VAL HB . 15723 1 733 . 1 1 62 62 VAL HG11 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 734 . 1 1 62 62 VAL HG12 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 735 . 1 1 62 62 VAL HG13 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 736 . 1 1 62 62 VAL HG21 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 737 . 1 1 62 62 VAL HG22 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 738 . 1 1 62 62 VAL HG23 H 1 0.528 0.02 . 2 . . . . 62 VAL QQG . 15723 1 739 . 1 1 62 62 VAL C C 13 171.255 0.35 . 1 . . . . 62 VAL C . 15723 1 740 . 1 1 62 62 VAL CA C 13 58.914 0.35 . 1 . . . . 62 VAL CA . 15723 1 741 . 1 1 62 62 VAL CB C 13 34.433 0.35 . 1 . . . . 62 VAL CB . 15723 1 742 . 1 1 62 62 VAL CG1 C 13 21.136 0.35 . 2 . . . . 62 VAL CG1 . 15723 1 743 . 1 1 62 62 VAL CG2 C 13 21.285 0.35 . 2 . . . . 62 VAL CG2 . 15723 1 744 . 1 1 62 62 VAL N N 15 117.701 0.35 . 1 . . . . 62 VAL N . 15723 1 745 . 1 1 63 63 VAL H H 1 8.251 0.02 . 1 . . . . 63 VAL HN . 15723 1 746 . 1 1 63 63 VAL HA H 1 4.637 0.02 . 1 . . . . 63 VAL HA . 15723 1 747 . 1 1 63 63 VAL HB H 1 1.630 0.02 . 1 . . . . 63 VAL HB . 15723 1 748 . 1 1 63 63 VAL HG11 H 1 0.675 0.02 . 2 . . . . 63 VAL QG1 . 15723 1 749 . 1 1 63 63 VAL HG12 H 1 0.675 0.02 . 2 . . . . 63 VAL QG1 . 15723 1 750 . 1 1 63 63 VAL HG13 H 1 0.675 0.02 . 2 . . . . 63 VAL QG1 . 15723 1 751 . 1 1 63 63 VAL HG21 H 1 0.821 0.02 . 2 . . . . 63 VAL QG2 . 15723 1 752 . 1 1 63 63 VAL HG22 H 1 0.821 0.02 . 2 . . . . 63 VAL QG2 . 15723 1 753 . 1 1 63 63 VAL HG23 H 1 0.821 0.02 . 2 . . . . 63 VAL QG2 . 15723 1 754 . 1 1 63 63 VAL C C 13 171.282 0.35 . 1 . . . . 63 VAL C . 15723 1 755 . 1 1 63 63 VAL CA C 13 59.233 0.35 . 1 . . . . 63 VAL CA . 15723 1 756 . 1 1 63 63 VAL CB C 13 33.531 0.35 . 1 . . . . 63 VAL CB . 15723 1 757 . 1 1 63 63 VAL CG1 C 13 20.939 0.35 . 2 . . . . 63 VAL CG1 . 15723 1 758 . 1 1 63 63 VAL CG2 C 13 21.173 0.35 . 2 . . . . 63 VAL CG2 . 15723 1 759 . 1 1 63 63 VAL N N 15 125.341 0.35 . 1 . . . . 63 VAL N . 15723 1 760 . 1 1 64 64 ALA H H 1 9.316 0.02 . 1 . . . . 64 ALA HN . 15723 1 761 . 1 1 64 64 ALA HA H 1 5.036 0.02 . 1 . . . . 64 ALA HA . 15723 1 762 . 1 1 64 64 ALA HB1 H 1 0.754 0.02 . 2 . . . . 64 ALA QB . 15723 1 763 . 1 1 64 64 ALA HB2 H 1 0.754 0.02 . 2 . . . . 64 ALA QB . 15723 1 764 . 1 1 64 64 ALA HB3 H 1 0.754 0.02 . 2 . . . . 64 ALA QB . 15723 1 765 . 1 1 64 64 ALA C C 13 173.825 0.35 . 1 . . . . 64 ALA C . 15723 1 766 . 1 1 64 64 ALA CA C 13 49.059 0.35 . 1 . . . . 64 ALA CA . 15723 1 767 . 1 1 64 64 ALA CB C 13 20.323 0.35 . 1 . . . . 64 ALA CB . 15723 1 768 . 1 1 64 64 ALA N N 15 128.526 0.35 . 1 . . . . 64 ALA N . 15723 1 769 . 1 1 65 65 ILE H H 1 9.451 0.02 . 1 . . . . 65 ILE HN . 15723 1 770 . 1 1 65 65 ILE HA H 1 4.475 0.02 . 1 . . . . 65 ILE HA . 15723 1 771 . 1 1 65 65 ILE HB H 1 1.538 0.02 . 1 . . . . 65 ILE HB . 15723 1 772 . 1 1 65 65 ILE HD11 H 1 0.321 0.02 . 2 . . . . 65 ILE QD1 . 15723 1 773 . 1 1 65 65 ILE HD12 H 1 0.321 0.02 . 2 . . . . 65 ILE QD1 . 15723 1 774 . 1 1 65 65 ILE HD13 H 1 0.321 0.02 . 2 . . . . 65 ILE QD1 . 15723 1 775 . 1 1 65 65 ILE HG12 H 1 1.370 0.02 . 2 . . . . 65 ILE HG12 . 15723 1 776 . 1 1 65 65 ILE HG13 H 1 0.763 0.02 . 2 . . . . 65 ILE HG13 . 15723 1 777 . 1 1 65 65 ILE HG21 H 1 0.929 0.02 . 2 . . . . 65 ILE QG2 . 15723 1 778 . 1 1 65 65 ILE HG22 H 1 0.929 0.02 . 2 . . . . 65 ILE QG2 . 15723 1 779 . 1 1 65 65 ILE HG23 H 1 0.929 0.02 . 2 . . . . 65 ILE QG2 . 15723 1 780 . 1 1 65 65 ILE C C 13 172.121 0.35 . 1 . . . . 65 ILE C . 15723 1 781 . 1 1 65 65 ILE CA C 13 56.490 0.35 . 1 . . . . 65 ILE CA . 15723 1 782 . 1 1 65 65 ILE CB C 13 37.474 0.35 . 1 . . . . 65 ILE CB . 15723 1 783 . 1 1 65 65 ILE CD1 C 13 10.260 0.35 . 1 . . . . 65 ILE CD1 . 15723 1 784 . 1 1 65 65 ILE CG1 C 13 26.124 0.35 . 1 . . . . 65 ILE CG1 . 15723 1 785 . 1 1 65 65 ILE CG2 C 13 17.730 0.35 . 1 . . . . 65 ILE CG2 . 15723 1 786 . 1 1 65 65 ILE N N 15 126.677 0.35 . 1 . . . . 65 ILE N . 15723 1 787 . 1 1 66 66 ASP H H 1 9.165 0.02 . 1 . . . . 66 ASP HN . 15723 1 788 . 1 1 66 66 ASP HA H 1 4.045 0.02 . 1 . . . . 66 ASP HA . 15723 1 789 . 1 1 66 66 ASP HB2 H 1 2.587 0.02 . 2 . . . . 66 ASP HB2 . 15723 1 790 . 1 1 66 66 ASP HB3 H 1 2.751 0.02 . 2 . . . . 66 ASP HB3 . 15723 1 791 . 1 1 66 66 ASP C C 13 174.663 0.35 . 1 . . . . 66 ASP C . 15723 1 792 . 1 1 66 66 ASP CA C 13 54.199 0.35 . 1 . . . . 66 ASP CA . 15723 1 793 . 1 1 66 66 ASP CB C 13 42.211 0.35 . 1 . . . . 66 ASP CB . 15723 1 794 . 1 1 66 66 ASP N N 15 128.723 0.35 . 1 . . . . 66 ASP N . 15723 1 795 . 1 1 67 67 TYR H H 1 8.919 0.02 . 1 . . . . 67 TYR HN . 15723 1 796 . 1 1 67 67 TYR HA H 1 4.344 0.02 . 1 . . . . 67 TYR HA . 15723 1 797 . 1 1 67 67 TYR HB2 H 1 2.600 0.02 . 2 . . . . 67 TYR HB2 . 15723 1 798 . 1 1 67 67 TYR HB3 H 1 2.774 0.02 . 2 . . . . 67 TYR HB3 . 15723 1 799 . 1 1 67 67 TYR HD1 H 1 6.311 0.02 . 3 . . . . 67 TYR QD . 15723 1 800 . 1 1 67 67 TYR HD2 H 1 6.311 0.02 . 3 . . . . 67 TYR QD . 15723 1 801 . 1 1 67 67 TYR C C 13 173.257 0.35 . 1 . . . . 67 TYR C . 15723 1 802 . 1 1 67 67 TYR CA C 13 59.614 0.35 . 1 . . . . 67 TYR CA . 15723 1 803 . 1 1 67 67 TYR CB C 13 39.338 0.35 . 1 . . . . 67 TYR CB . 15723 1 804 . 1 1 67 67 TYR CD1 C 13 129.215 0.35 . 3 . . . . 67 TYR CD1 . 15723 1 805 . 1 1 67 67 TYR CD2 C 13 129.215 0.35 . 3 . . . . 67 TYR CD2 . 15723 1 806 . 1 1 67 67 TYR N N 15 127.739 0.35 . 1 . . . . 67 TYR N . 15723 1 807 . 1 1 68 68 ARG H H 1 9.459 0.02 . 1 . . . . 68 ARG HN . 15723 1 808 . 1 1 68 68 ARG HA H 1 3.923 0.02 . 2 . . . . 68 ARG HA . 15723 1 809 . 1 1 68 68 ARG HB2 H 1 1.595 0.02 . 2 . . . . 68 ARG HB2 . 15723 1 810 . 1 1 68 68 ARG HB3 H 1 1.355 0.02 . 2 . . . . 68 ARG HB3 . 15723 1 811 . 1 1 68 68 ARG HD2 H 1 2.850 0.02 . 2 . . . . 68 ARG HD2 . 15723 1 812 . 1 1 68 68 ARG HD3 H 1 2.887 0.02 . 2 . . . . 68 ARG HD3 . 15723 1 813 . 1 1 68 68 ARG HG2 H 1 0.585 0.02 . 2 . . . . 68 ARG HG2 . 15723 1 814 . 1 1 68 68 ARG HG3 H 1 1.018 0.02 . 2 . . . . 68 ARG HG3 . 15723 1 815 . 1 1 68 68 ARG C C 13 174.150 0.35 . 1 . . . . 68 ARG C . 15723 1 816 . 1 1 68 68 ARG CA C 13 57.691 0.35 . 1 . . . . 68 ARG CA . 15723 1 817 . 1 1 68 68 ARG CB C 13 27.945 0.35 . 1 . . . . 68 ARG CB . 15723 1 818 . 1 1 68 68 ARG CD C 13 42.780 0.35 . 1 . . . . 68 ARG CD . 15723 1 819 . 1 1 68 68 ARG CG C 13 25.405 0.35 . 1 . . . . 68 ARG CG . 15723 1 820 . 1 1 68 68 ARG N N 15 121.666 0.35 . 1 . . . . 68 ARG N . 15723 1 821 . 1 1 69 69 HIS H H 1 8.146 0.02 . 1 . . . . 69 HIS HN . 15723 1 822 . 1 1 69 69 HIS HA H 1 4.538 0.02 . 1 . . . . 69 HIS HA . 15723 1 823 . 1 1 69 69 HIS HB2 H 1 3.266 0.02 . 2 . . . . 69 HIS HB2 . 15723 1 824 . 1 1 69 69 HIS HB3 H 1 3.005 0.02 . 2 . . . . 69 HIS HB3 . 15723 1 825 . 1 1 69 69 HIS HD2 H 1 7.607 0.02 . 1 . . . . 69 HIS HD2 . 15723 1 826 . 1 1 69 69 HIS C C 13 171.391 0.35 . 1 . . . . 69 HIS C . 15723 1 827 . 1 1 69 69 HIS CA C 13 55.405 0.35 . 1 . . . . 69 HIS CA . 15723 1 828 . 1 1 69 69 HIS CB C 13 29.458 0.35 . 1 . . . . 69 HIS CB . 15723 1 829 . 1 1 69 69 HIS CD2 C 13 118.741 0.35 . 1 . . . . 69 HIS CD2 . 15723 1 830 . 1 1 69 69 HIS N N 15 117.372 0.35 . 1 . . . . 69 HIS N . 15723 1 831 . 1 1 70 70 TYR H H 1 7.468 0.02 . 1 . . . . 70 TYR HN . 15723 1 832 . 1 1 70 70 TYR HA H 1 3.431 0.02 . 1 . . . . 70 TYR HA . 15723 1 833 . 1 1 70 70 TYR HB2 H 1 1.370 0.02 . 2 . . . . 70 TYR HB2 . 15723 1 834 . 1 1 70 70 TYR HB3 H 1 0.906 0.02 . 2 . . . . 70 TYR HB3 . 15723 1 835 . 1 1 70 70 TYR HD1 H 1 5.999 0.02 . 3 . . . . 70 TYR QD . 15723 1 836 . 1 1 70 70 TYR HD2 H 1 5.999 0.02 . 3 . . . . 70 TYR QD . 15723 1 837 . 1 1 70 70 TYR HE1 H 1 6.480 0.02 . 3 . . . . 70 TYR QE . 15723 1 838 . 1 1 70 70 TYR HE2 H 1 6.480 0.02 . 3 . . . . 70 TYR QE . 15723 1 839 . 1 1 70 70 TYR C C 13 171.904 0.35 . 1 . . . . 70 TYR C . 15723 1 840 . 1 1 70 70 TYR CA C 13 60.020 0.35 . 1 . . . . 70 TYR CA . 15723 1 841 . 1 1 70 70 TYR CB C 13 37.554 0.35 . 1 . . . . 70 TYR CB . 15723 1 842 . 1 1 70 70 TYR CD1 C 13 130.000 0.35 . 3 . . . . 70 TYR CD1 . 15723 1 843 . 1 1 70 70 TYR CD2 C 13 130.000 0.35 . 3 . . . . 70 TYR CD2 . 15723 1 844 . 1 1 70 70 TYR CE1 C 13 114.607 0.35 . 3 . . . . 70 TYR CE1 . 15723 1 845 . 1 1 70 70 TYR CE2 C 13 114.600 0.35 . 3 . . . . 70 TYR CE2 . 15723 1 846 . 1 1 70 70 TYR N N 15 121.636 0.35 . 1 . . . . 70 TYR N . 15723 1 847 . 1 1 71 71 SER H H 1 5.657 0.02 . 1 . . . . 71 SER HN . 15723 1 848 . 1 1 71 71 SER HA H 1 3.958 0.02 . 1 . . . . 71 SER HA . 15723 1 849 . 1 1 71 71 SER HB2 H 1 3.070 0.02 . 2 . . . . 71 SER HB2 . 15723 1 850 . 1 1 71 71 SER HB3 H 1 3.529 0.02 . 2 . . . . 71 SER HB3 . 15723 1 851 . 1 1 71 71 SER C C 13 170.390 0.35 . 1 . . . . 71 SER C . 15723 1 852 . 1 1 71 71 SER CA C 13 55.267 0.35 . 1 . . . . 71 SER CA . 15723 1 853 . 1 1 71 71 SER CB C 13 64.410 0.35 . 1 . . . . 71 SER CB . 15723 1 854 . 1 1 71 71 SER N N 15 120.240 0.35 . 1 . . . . 71 SER N . 15723 1 855 . 1 1 72 72 ALA H H 1 8.461 0.02 . 1 . . . . 72 ALA HN . 15723 1 856 . 1 1 72 72 ALA HA H 1 3.757 0.02 . 1 . . . . 72 ALA HA . 15723 1 857 . 1 1 72 72 ALA HB1 H 1 1.269 0.02 . 2 . . . . 72 ALA QB . 15723 1 858 . 1 1 72 72 ALA HB2 H 1 1.269 0.02 . 2 . . . . 72 ALA QB . 15723 1 859 . 1 1 72 72 ALA HB3 H 1 1.269 0.02 . 2 . . . . 72 ALA QB . 15723 1 860 . 1 1 72 72 ALA CA C 13 54.250 0.35 . 1 . . . . 72 ALA CA . 15723 1 861 . 1 1 72 72 ALA CB C 13 17.423 0.35 . 1 . . . . 72 ALA CB . 15723 1 862 . 1 1 72 72 ALA N N 15 123.497 0.35 . 1 . . . . 72 ALA N . 15723 1 863 . 1 1 73 73 SER HA H 1 3.904 0.02 . 1 . . . . 73 SER HA . 15723 1 864 . 1 1 73 73 SER HB2 H 1 3.260 0.02 . 2 . . . . 73 SER HB2 . 15723 1 865 . 1 1 73 73 SER HB3 H 1 2.846 0.02 . 2 . . . . 73 SER HB3 . 15723 1 866 . 1 1 73 73 SER C C 13 172.500 0.35 . 1 . . . . 73 SER C . 15723 1 867 . 1 1 73 73 SER CA C 13 59.873 0.35 . 1 . . . . 73 SER CA . 15723 1 868 . 1 1 73 73 SER CB C 13 61.769 0.35 . 1 . . . . 73 SER CB . 15723 1 869 . 1 1 74 74 PHE H H 1 7.508 0.02 . 1 . . . . 74 PHE HN . 15723 1 870 . 1 1 74 74 PHE HA H 1 5.163 0.02 . 1 . . . . 74 PHE HA . 15723 1 871 . 1 1 74 74 PHE HB2 H 1 2.757 0.02 . 2 . . . . 74 PHE HB2 . 15723 1 872 . 1 1 74 74 PHE HB3 H 1 3.749 0.02 . 2 . . . . 74 PHE HB3 . 15723 1 873 . 1 1 74 74 PHE HD1 H 1 6.895 0.02 . 3 . . . . 74 PHE QD . 15723 1 874 . 1 1 74 74 PHE HD2 H 1 6.895 0.02 . 3 . . . . 74 PHE QD . 15723 1 875 . 1 1 74 74 PHE HE1 H 1 7.094 0.02 . 3 . . . . 74 PHE QE . 15723 1 876 . 1 1 74 74 PHE HE2 H 1 7.094 0.02 . 3 . . . . 74 PHE QE . 15723 1 877 . 1 1 74 74 PHE C C 13 173.987 0.35 . 1 . . . . 74 PHE C . 15723 1 878 . 1 1 74 74 PHE CA C 13 53.320 0.35 . 1 . . . . 74 PHE CA . 15723 1 879 . 1 1 74 74 PHE CB C 13 37.854 0.35 . 1 . . . . 74 PHE CB . 15723 1 880 . 1 1 74 74 PHE CD1 C 13 128.084 0.35 . 3 . . . . 74 PHE CD1 . 15723 1 881 . 1 1 74 74 PHE CD2 C 13 127.980 0.35 . 3 . . . . 74 PHE CD2 . 15723 1 882 . 1 1 74 74 PHE CE1 C 13 128.450 0.35 . 3 . . . . 74 PHE CE1 . 15723 1 883 . 1 1 74 74 PHE CE2 C 13 128.450 0.35 . 3 . . . . 74 PHE CE2 . 15723 1 884 . 1 1 74 74 PHE N N 15 118.853 0.35 . 1 . . . . 74 PHE N . 15723 1 885 . 1 1 75 75 LYS H H 1 7.245 0.02 . 1 . . . . 75 LYS HN . 15723 1 886 . 1 1 75 75 LYS HA H 1 4.200 0.02 . 1 . . . . 75 LYS HA . 15723 1 887 . 1 1 75 75 LYS HB2 H 1 1.602 0.02 . 2 . . . . 75 LYS HB2 . 15723 1 888 . 1 1 75 75 LYS HB3 H 1 1.867 0.02 . 2 . . . . 75 LYS HB3 . 15723 1 889 . 1 1 75 75 LYS HD2 H 1 1.478 0.02 . 2 . . . . 75 LYS HD2 . 15723 1 890 . 1 1 75 75 LYS HD3 H 1 1.538 0.02 . 2 . . . . 75 LYS HD3 . 15723 1 891 . 1 1 75 75 LYS HE2 H 1 2.785 0.02 . 2 . . . . 75 LYS QE . 15723 1 892 . 1 1 75 75 LYS HE3 H 1 2.785 0.02 . 2 . . . . 75 LYS QE . 15723 1 893 . 1 1 75 75 LYS HG2 H 1 1.151 0.02 . 2 . . . . 75 LYS HG2 . 15723 1 894 . 1 1 75 75 LYS HG3 H 1 1.052 0.02 . 2 . . . . 75 LYS HG3 . 15723 1 895 . 1 1 75 75 LYS C C 13 173.717 0.35 . 1 . . . . 75 LYS C . 15723 1 896 . 1 1 75 75 LYS CA C 13 59.003 0.35 . 1 . . . . 75 LYS CA . 15723 1 897 . 1 1 75 75 LYS CB C 13 31.846 0.35 . 1 . . . . 75 LYS CB . 15723 1 898 . 1 1 75 75 LYS CD C 13 28.900 0.35 . 1 . . . . 75 LYS CD . 15723 1 899 . 1 1 75 75 LYS CE C 13 41.256 0.35 . 1 . . . . 75 LYS CE . 15723 1 900 . 1 1 75 75 LYS CG C 13 23.562 0.35 . 1 . . . . 75 LYS CG . 15723 1 901 . 1 1 75 75 LYS N N 15 121.129 0.35 . 1 . . . . 75 LYS N . 15723 1 902 . 1 1 76 76 LYS H H 1 7.841 0.02 . 1 . . . . 76 LYS HN . 15723 1 903 . 1 1 76 76 LYS HA H 1 3.738 0.02 . 1 . . . . 76 LYS HA . 15723 1 904 . 1 1 76 76 LYS HB2 H 1 1.718 0.02 . 2 . . . . 76 LYS HB2 . 15723 1 905 . 1 1 76 76 LYS HB3 H 1 1.433 0.02 . 2 . . . . 76 LYS HB3 . 15723 1 906 . 1 1 76 76 LYS HD2 H 1 1.088 0.02 . 2 . . . . 76 LYS HD2 . 15723 1 907 . 1 1 76 76 LYS HD3 H 1 1.020 0.02 . 2 . . . . 76 LYS HD3 . 15723 1 908 . 1 1 76 76 LYS HE2 H 1 2.468 0.02 . 2 . . . . 76 LYS QE . 15723 1 909 . 1 1 76 76 LYS HE3 H 1 2.468 0.02 . 2 . . . . 76 LYS QE . 15723 1 910 . 1 1 76 76 LYS HG2 H 1 0.643 0.02 . 2 . . . . 76 LYS HG2 . 15723 1 911 . 1 1 76 76 LYS HG3 H 1 -0.644 0.02 . 2 . . . . 76 LYS HG3 . 15723 1 912 . 1 1 76 76 LYS C C 13 170.200 0.35 . 1 . . . . 76 LYS C . 15723 1 913 . 1 1 76 76 LYS CA C 13 55.114 0.35 . 1 . . . . 76 LYS CA . 15723 1 914 . 1 1 76 76 LYS CB C 13 32.393 0.35 . 1 . . . . 76 LYS CB . 15723 1 915 . 1 1 76 76 LYS CD C 13 28.814 0.35 . 1 . . . . 76 LYS CD . 15723 1 916 . 1 1 76 76 LYS CE C 13 41.570 0.35 . 1 . . . . 76 LYS CE . 15723 1 917 . 1 1 76 76 LYS CG C 13 24.832 0.35 . 1 . . . . 76 LYS CG . 15723 1 918 . 1 1 76 76 LYS N N 15 114.423 0.35 . 1 . . . . 76 LYS N . 15723 1 919 . 1 1 77 77 GLY H H 1 7.239 0.02 . 1 . . . . 77 GLY HN . 15723 1 920 . 1 1 77 77 GLY HA2 H 1 3.737 0.02 . 2 . . . . 77 GLY HA1 . 15723 1 921 . 1 1 77 77 GLY HA3 H 1 4.771 0.02 . 2 . . . . 77 GLY HA2 . 15723 1 922 . 1 1 77 77 GLY C C 13 170.795 0.35 . 1 . . . . 77 GLY C . 15723 1 923 . 1 1 77 77 GLY CA C 13 43.770 0.35 . 1 . . . . 77 GLY CA . 15723 1 924 . 1 1 77 77 GLY N N 15 103.318 0.35 . 1 . . . . 77 GLY N . 15723 1 925 . 1 1 78 78 ALA H H 1 6.868 0.02 . 1 . . . . 78 ALA HN . 15723 1 926 . 1 1 78 78 ALA HA H 1 4.982 0.02 . 1 . . . . 78 ALA HA . 15723 1 927 . 1 1 78 78 ALA HB1 H 1 0.770 0.02 . 2 . . . . 78 ALA QB . 15723 1 928 . 1 1 78 78 ALA HB2 H 1 0.770 0.02 . 2 . . . . 78 ALA QB . 15723 1 929 . 1 1 78 78 ALA HB3 H 1 0.770 0.02 . 2 . . . . 78 ALA QB . 15723 1 930 . 1 1 78 78 ALA C C 13 171.904 0.35 . 1 . . . . 78 ALA C . 15723 1 931 . 1 1 78 78 ALA CA C 13 49.907 0.35 . 1 . . . . 78 ALA CA . 15723 1 932 . 1 1 78 78 ALA CB C 13 22.601 0.35 . 1 . . . . 78 ALA CB . 15723 1 933 . 1 1 78 78 ALA N N 15 117.057 0.35 . 1 . . . . 78 ALA N . 15723 1 934 . 1 1 79 79 LYS H H 1 8.765 0.02 . 1 . . . . 79 LYS HN . 15723 1 935 . 1 1 79 79 LYS HA H 1 4.636 0.02 . 1 . . . . 79 LYS HA . 15723 1 936 . 1 1 79 79 LYS HB2 H 1 1.378 0.02 . 2 . . . . 79 LYS QB . 15723 1 937 . 1 1 79 79 LYS HB3 H 1 1.378 0.02 . 2 . . . . 79 LYS QB . 15723 1 938 . 1 1 79 79 LYS HD2 H 1 1.457 0.02 . 2 . . . . 79 LYS HD2 . 15723 1 939 . 1 1 79 79 LYS HD3 H 1 1.377 0.02 . 2 . . . . 79 LYS HD3 . 15723 1 940 . 1 1 79 79 LYS HE2 H 1 2.749 0.02 . 2 . . . . 79 LYS QE . 15723 1 941 . 1 1 79 79 LYS HE3 H 1 2.749 0.02 . 2 . . . . 79 LYS QE . 15723 1 942 . 1 1 79 79 LYS HG2 H 1 1.051 0.02 . 2 . . . . 79 LYS HG2 . 15723 1 943 . 1 1 79 79 LYS HG3 H 1 0.971 0.02 . 2 . . . . 79 LYS HG3 . 15723 1 944 . 1 1 79 79 LYS C C 13 171.039 0.35 . 1 . . . . 79 LYS C . 15723 1 945 . 1 1 79 79 LYS CA C 13 54.485 0.35 . 1 . . . . 79 LYS CA . 15723 1 946 . 1 1 79 79 LYS CB C 13 35.963 0.35 . 1 . . . . 79 LYS CB . 15723 1 947 . 1 1 79 79 LYS CD C 13 28.945 0.35 . 1 . . . . 79 LYS CD . 15723 1 948 . 1 1 79 79 LYS CE C 13 41.312 0.35 . 1 . . . . 79 LYS CE . 15723 1 949 . 1 1 79 79 LYS CG C 13 23.951 0.35 . 1 . . . . 79 LYS CG . 15723 1 950 . 1 1 79 79 LYS N N 15 117.018 0.35 . 1 . . . . 79 LYS N . 15723 1 951 . 1 1 80 80 LEU H H 1 8.782 0.02 . 1 . . . . 80 LEU HN . 15723 1 952 . 1 1 80 80 LEU HA H 1 4.459 0.02 . 1 . . . . 80 LEU HA . 15723 1 953 . 1 1 80 80 LEU HB2 H 1 1.548 0.02 . 2 . . . . 80 LEU HB2 . 15723 1 954 . 1 1 80 80 LEU HB3 H 1 0.912 0.02 . 2 . . . . 80 LEU HB3 . 15723 1 955 . 1 1 80 80 LEU HD11 H 1 0.627 0.02 . 2 . . . . 80 LEU QD1 . 15723 1 956 . 1 1 80 80 LEU HD12 H 1 0.627 0.02 . 2 . . . . 80 LEU QD1 . 15723 1 957 . 1 1 80 80 LEU HD13 H 1 0.627 0.02 . 2 . . . . 80 LEU QD1 . 15723 1 958 . 1 1 80 80 LEU HD21 H 1 0.727 0.02 . 2 . . . . 80 LEU QD2 . 15723 1 959 . 1 1 80 80 LEU HD22 H 1 0.727 0.02 . 2 . . . . 80 LEU QD2 . 15723 1 960 . 1 1 80 80 LEU HD23 H 1 0.727 0.02 . 2 . . . . 80 LEU QD2 . 15723 1 961 . 1 1 80 80 LEU HG H 1 1.246 0.02 . 1 . . . . 80 LEU HG . 15723 1 962 . 1 1 80 80 LEU C C 13 173.095 0.35 . 1 . . . . 80 LEU C . 15723 1 963 . 1 1 80 80 LEU CA C 13 52.743 0.35 . 1 . . . . 80 LEU CA . 15723 1 964 . 1 1 80 80 LEU CB C 13 42.494 0.35 . 1 . . . . 80 LEU CB . 15723 1 965 . 1 1 80 80 LEU CD1 C 13 23.846 0.35 . 2 . . . . 80 LEU CD1 . 15723 1 966 . 1 1 80 80 LEU CD2 C 13 25.711 0.35 . 2 . . . . 80 LEU CD2 . 15723 1 967 . 1 1 80 80 LEU CG C 13 26.641 0.35 . 1 . . . . 80 LEU CG . 15723 1 968 . 1 1 80 80 LEU N N 15 122.496 0.35 . 1 . . . . 80 LEU N . 15723 1 969 . 1 1 81 81 LEU H H 1 8.636 0.02 . 1 . . . . 81 LEU HN . 15723 1 970 . 1 1 81 81 LEU HA H 1 3.578 0.02 . 1 . . . . 81 LEU HA . 15723 1 971 . 1 1 81 81 LEU HB2 H 1 1.713 0.02 . 2 . . . . 81 LEU HB2 . 15723 1 972 . 1 1 81 81 LEU HB3 H 1 1.590 0.02 . 2 . . . . 81 LEU HB3 . 15723 1 973 . 1 1 81 81 LEU HD11 H 1 0.773 0.02 . 2 . . . . 81 LEU QD1 . 15723 1 974 . 1 1 81 81 LEU HD12 H 1 0.773 0.02 . 2 . . . . 81 LEU QD1 . 15723 1 975 . 1 1 81 81 LEU HD13 H 1 0.773 0.02 . 2 . . . . 81 LEU QD1 . 15723 1 976 . 1 1 81 81 LEU HD21 H 1 0.769 0.02 . 2 . . . . 81 LEU QD2 . 15723 1 977 . 1 1 81 81 LEU HD22 H 1 0.769 0.02 . 2 . . . . 81 LEU QD2 . 15723 1 978 . 1 1 81 81 LEU HD23 H 1 0.769 0.02 . 2 . . . . 81 LEU QD2 . 15723 1 979 . 1 1 81 81 LEU HG H 1 1.238 0.02 . 1 . . . . 81 LEU HG . 15723 1 980 . 1 1 81 81 LEU CA C 13 57.316 0.35 . 1 . . . . 81 LEU CA . 15723 1 981 . 1 1 81 81 LEU CB C 13 39.032 0.35 . 1 . . . . 81 LEU CB . 15723 1 982 . 1 1 81 81 LEU CD1 C 13 23.636 0.35 . 2 . . . . 81 LEU CD1 . 15723 1 983 . 1 1 81 81 LEU CD2 C 13 23.498 0.35 . 2 . . . . 81 LEU CD2 . 15723 1 984 . 1 1 81 81 LEU CG C 13 26.386 0.35 . 1 . . . . 81 LEU CG . 15723 1 985 . 1 1 81 81 LEU N N 15 125.060 0.35 . 1 . . . . 81 LEU N . 15723 1 986 . 1 1 82 82 HIS H H 1 8.379 0.02 . 1 . . . . 82 HIS HN . 15723 1 987 . 1 1 82 82 HIS HA H 1 4.551 0.02 . 1 . . . . 82 HIS HA . 15723 1 988 . 1 1 82 82 HIS HB2 H 1 3.165 0.02 . 2 . . . . 82 HIS QB . 15723 1 989 . 1 1 82 82 HIS HB3 H 1 3.165 0.02 . 2 . . . . 82 HIS QB . 15723 1 990 . 1 1 82 82 HIS HD2 H 1 6.968 0.02 . 1 . . . . 82 HIS HD2 . 15723 1 991 . 1 1 82 82 HIS HE1 H 1 7.920 0.02 . 1 . . . . 82 HIS HE1 . 15723 1 992 . 1 1 82 82 HIS C C 13 172.635 0.35 . 1 . . . . 82 HIS C . 15723 1 993 . 1 1 82 82 HIS CA C 13 55.432 0.35 . 1 . . . . 82 HIS CA . 15723 1 994 . 1 1 82 82 HIS CB C 13 29.646 0.35 . 1 . . . . 82 HIS CB . 15723 1 995 . 1 1 82 82 HIS CD2 C 13 116.433 0.35 . 1 . . . . 82 HIS CD2 . 15723 1 996 . 1 1 82 82 HIS CE1 C 13 135.273 0.35 . 1 . . . . 82 HIS CE1 . 15723 1 997 . 1 1 82 82 HIS N N 15 114.387 0.35 . 1 . . . . 82 HIS N . 15723 1 998 . 1 1 83 83 LYS H H 1 8.023 0.02 . 1 . . . . 83 LYS HN . 15723 1 999 . 1 1 83 83 LYS HA H 1 4.670 0.02 . 1 . . . . 83 LYS HA . 15723 1 1000 . 1 1 83 83 LYS HB2 H 1 1.775 0.02 . 2 . . . . 83 LYS HB2 . 15723 1 1001 . 1 1 83 83 LYS HB3 H 1 1.591 0.02 . 2 . . . . 83 LYS HB3 . 15723 1 1002 . 1 1 83 83 LYS HD2 H 1 1.445 0.02 . 2 . . . . 83 LYS HD2 . 15723 1 1003 . 1 1 83 83 LYS HD3 H 1 1.571 0.02 . 2 . . . . 83 LYS HD3 . 15723 1 1004 . 1 1 83 83 LYS HE2 H 1 2.982 0.02 . 2 . . . . 83 LYS HE2 . 15723 1 1005 . 1 1 83 83 LYS HE3 H 1 2.877 0.02 . 2 . . . . 83 LYS HE3 . 15723 1 1006 . 1 1 83 83 LYS HG2 H 1 1.263 0.02 . 2 . . . . 83 LYS HG2 . 15723 1 1007 . 1 1 83 83 LYS HG3 H 1 1.205 0.02 . 2 . . . . 83 LYS HG3 . 15723 1 1008 . 1 1 83 83 LYS CA C 13 52.041 0.35 . 1 . . . . 83 LYS CA . 15723 1 1009 . 1 1 83 83 LYS CB C 13 32.741 0.35 . 1 . . . . 83 LYS CB . 15723 1 1010 . 1 1 83 83 LYS CD C 13 28.319 0.35 . 1 . . . . 83 LYS CD . 15723 1 1011 . 1 1 83 83 LYS CE C 13 41.979 0.35 . 1 . . . . 83 LYS CE . 15723 1 1012 . 1 1 83 83 LYS CG C 13 24.102 0.35 . 1 . . . . 83 LYS CG . 15723 1 1013 . 1 1 83 83 LYS N N 15 122.886 0.35 . 1 . . . . 83 LYS N . 15723 1 1014 . 1 1 84 84 PRO HA H 1 4.585 0.02 . 1 . . . . 84 PRO HA . 15723 1 1015 . 1 1 84 84 PRO HB2 H 1 2.235 0.02 . 2 . . . . 84 PRO HB2 . 15723 1 1016 . 1 1 84 84 PRO HB3 H 1 1.972 0.02 . 2 . . . . 84 PRO HB3 . 15723 1 1017 . 1 1 84 84 PRO HD2 H 1 3.761 0.02 . 2 . . . . 84 PRO HD2 . 15723 1 1018 . 1 1 84 84 PRO HD3 H 1 4.028 0.02 . 2 . . . . 84 PRO HD3 . 15723 1 1019 . 1 1 84 84 PRO HG2 H 1 1.831 0.02 . 2 . . . . 84 PRO HG2 . 15723 1 1020 . 1 1 84 84 PRO HG3 H 1 1.955 0.02 . 2 . . . . 84 PRO HG3 . 15723 1 1021 . 1 1 84 84 PRO C C 13 172.797 0.35 . 1 . . . . 84 PRO C . 15723 1 1022 . 1 1 84 84 PRO CA C 13 62.050 0.35 . 1 . . . . 84 PRO CA . 15723 1 1023 . 1 1 84 84 PRO CB C 13 32.770 0.35 . 1 . . . . 84 PRO CB . 15723 1 1024 . 1 1 84 84 PRO CD C 13 49.640 0.35 . 1 . . . . 84 PRO CD . 15723 1 1025 . 1 1 84 84 PRO CG C 13 26.734 0.35 . 1 . . . . 84 PRO CG . 15723 1 1026 . 1 1 85 85 ILE H H 1 6.185 0.02 . 1 . . . . 85 ILE HN . 15723 1 1027 . 1 1 85 85 ILE HA H 1 5.743 0.02 . 1 . . . . 85 ILE HA . 15723 1 1028 . 1 1 85 85 ILE HB H 1 1.731 0.02 . 1 . . . . 85 ILE HB . 15723 1 1029 . 1 1 85 85 ILE HD11 H 1 -0.733 0.02 . 2 . . . . 85 ILE QD1 . 15723 1 1030 . 1 1 85 85 ILE HD12 H 1 -0.733 0.02 . 2 . . . . 85 ILE QD1 . 15723 1 1031 . 1 1 85 85 ILE HD13 H 1 -0.733 0.02 . 2 . . . . 85 ILE QD1 . 15723 1 1032 . 1 1 85 85 ILE HG12 H 1 0.130 0.02 . 2 . . . . 85 ILE HG12 . 15723 1 1033 . 1 1 85 85 ILE HG13 H 1 0.665 0.02 . 2 . . . . 85 ILE HG13 . 15723 1 1034 . 1 1 85 85 ILE HG21 H 1 0.365 0.02 . 2 . . . . 85 ILE QG2 . 15723 1 1035 . 1 1 85 85 ILE HG22 H 1 0.365 0.02 . 2 . . . . 85 ILE QG2 . 15723 1 1036 . 1 1 85 85 ILE HG23 H 1 0.365 0.02 . 2 . . . . 85 ILE QG2 . 15723 1 1037 . 1 1 85 85 ILE C C 13 174.366 0.35 . 1 . . . . 85 ILE C . 15723 1 1038 . 1 1 85 85 ILE CA C 13 57.032 0.35 . 1 . . . . 85 ILE CA . 15723 1 1039 . 1 1 85 85 ILE CB C 13 41.265 0.35 . 1 . . . . 85 ILE CB . 15723 1 1040 . 1 1 85 85 ILE CD1 C 13 14.050 0.35 . 1 . . . . 85 ILE CD1 . 15723 1 1041 . 1 1 85 85 ILE CG1 C 13 24.909 0.35 . 1 . . . . 85 ILE CG1 . 15723 1 1042 . 1 1 85 85 ILE CG2 C 13 19.562 0.35 . 1 . . . . 85 ILE CG2 . 15723 1 1043 . 1 1 85 85 ILE N N 15 107.777 0.35 . 1 . . . . 85 ILE N . 15723 1 1044 . 1 1 86 86 VAL H H 1 7.552 0.02 . 1 . . . . 86 VAL HN . 15723 1 1045 . 1 1 86 86 VAL HA H 1 4.278 0.02 . 1 . . . . 86 VAL HA . 15723 1 1046 . 1 1 86 86 VAL HB H 1 2.064 0.02 . 1 . . . . 86 VAL HB . 15723 1 1047 . 1 1 86 86 VAL HG11 H 1 0.611 0.02 . 2 . . . . 86 VAL QG1 . 15723 1 1048 . 1 1 86 86 VAL HG12 H 1 0.611 0.02 . 2 . . . . 86 VAL QG1 . 15723 1 1049 . 1 1 86 86 VAL HG13 H 1 0.611 0.02 . 2 . . . . 86 VAL QG1 . 15723 1 1050 . 1 1 86 86 VAL HG21 H 1 0.586 0.02 . 2 . . . . 86 VAL QG2 . 15723 1 1051 . 1 1 86 86 VAL HG22 H 1 0.586 0.02 . 2 . . . . 86 VAL QG2 . 15723 1 1052 . 1 1 86 86 VAL HG23 H 1 0.586 0.02 . 2 . . . . 86 VAL QG2 . 15723 1 1053 . 1 1 86 86 VAL CA C 13 59.345 0.35 . 1 . . . . 86 VAL CA . 15723 1 1054 . 1 1 86 86 VAL CB C 13 34.990 0.35 . 1 . . . . 86 VAL CB . 15723 1 1055 . 1 1 86 86 VAL CG1 C 13 20.914 0.35 . 2 . . . . 86 VAL CG1 . 15723 1 1056 . 1 1 86 86 VAL CG2 C 13 17.803 0.35 . 2 . . . . 86 VAL CG2 . 15723 1 1057 . 1 1 86 86 VAL N N 15 109.584 0.35 . 1 . . . . 86 VAL N . 15723 1 1058 . 1 1 87 87 TRP H H 1 10.036 0.02 . 1 . . . . 87 TRP HN . 15723 1 1059 . 1 1 87 87 TRP HA H 1 6.158 0.02 . 1 . . . . 87 TRP HA . 15723 1 1060 . 1 1 87 87 TRP HB2 H 1 3.310 0.02 . 2 . . . . 87 TRP HB2 . 15723 1 1061 . 1 1 87 87 TRP HB3 H 1 3.029 0.02 . 2 . . . . 87 TRP HB3 . 15723 1 1062 . 1 1 87 87 TRP HD1 H 1 6.987 0.02 . 1 . . . . 87 TRP HD1 . 15723 1 1063 . 1 1 87 87 TRP HE1 H 1 10.603 0.02 . 1 . . . . 87 TRP HE1 . 15723 1 1064 . 1 1 87 87 TRP HE3 H 1 7.610 0.02 . 1 . . . . 87 TRP HE3 . 15723 1 1065 . 1 1 87 87 TRP HH2 H 1 6.574 0.02 . 1 . . . . 87 TRP HH2 . 15723 1 1066 . 1 1 87 87 TRP HZ2 H 1 7.066 0.02 . 1 . . . . 87 TRP HZ2 . 15723 1 1067 . 1 1 87 87 TRP HZ3 H 1 6.650 0.02 . 1 . . . . 87 TRP HZ3 . 15723 1 1068 . 1 1 87 87 TRP C C 13 174.393 0.35 . 1 . . . . 87 TRP C . 15723 1 1069 . 1 1 87 87 TRP CA C 13 55.238 0.35 . 1 . . . . 87 TRP CA . 15723 1 1070 . 1 1 87 87 TRP CB C 13 32.786 0.35 . 1 . . . . 87 TRP CB . 15723 1 1071 . 1 1 87 87 TRP CD1 C 13 127.383 0.35 . 1 . . . . 87 TRP CD1 . 15723 1 1072 . 1 1 87 87 TRP CE3 C 13 118.600 0.35 . 1 . . . . 87 TRP CE3 . 15723 1 1073 . 1 1 87 87 TRP CH2 C 13 120.169 0.35 . 1 . . . . 87 TRP CH2 . 15723 1 1074 . 1 1 87 87 TRP CZ2 C 13 111.101 0.35 . 1 . . . . 87 TRP CZ2 . 15723 1 1075 . 1 1 87 87 TRP CZ3 C 13 118.700 0.35 . 1 . . . . 87 TRP CZ3 . 15723 1 1076 . 1 1 87 87 TRP N N 15 122.256 0.35 . 1 . . . . 87 TRP N . 15723 1 1077 . 1 1 87 87 TRP NE1 N 15 129.398 0.35 . 1 . . . . 87 TRP NE1 . 15723 1 1078 . 1 1 88 88 HIS H H 1 8.802 0.02 . 1 . . . . 88 HIS HN . 15723 1 1079 . 1 1 88 88 HIS HA H 1 5.383 0.02 . 1 . . . . 88 HIS HA . 15723 1 1080 . 1 1 88 88 HIS HB2 H 1 2.670 0.02 . 2 . . . . 88 HIS QB . 15723 1 1081 . 1 1 88 88 HIS HB3 H 1 2.670 0.02 . 2 . . . . 88 HIS QB . 15723 1 1082 . 1 1 88 88 HIS HD1 H 1 11.682 0.02 . 1 . . . . 88 HIS HD1 . 15723 1 1083 . 1 1 88 88 HIS HD2 H 1 6.571 0.02 . 1 . . . . 88 HIS HD2 . 15723 1 1084 . 1 1 88 88 HIS HE1 H 1 7.688 0.02 . 1 . . . . 88 HIS HE1 . 15723 1 1085 . 1 1 88 88 HIS CA C 13 53.902 0.35 . 1 . . . . 88 HIS CA . 15723 1 1086 . 1 1 88 88 HIS CB C 13 37.553 0.35 . 1 . . . . 88 HIS CB . 15723 1 1087 . 1 1 88 88 HIS CD2 C 13 113.450 0.35 . 1 . . . . 88 HIS CD2 . 15723 1 1088 . 1 1 88 88 HIS CE1 C 13 135.476 0.35 . 1 . . . . 88 HIS CE1 . 15723 1 1089 . 1 1 88 88 HIS N N 15 116.636 0.35 . 1 . . . . 88 HIS N . 15723 1 1090 . 1 1 89 89 ILE H H 1 9.197 0.02 . 1 . . . . 89 ILE HN . 15723 1 1091 . 1 1 89 89 ILE HA H 1 4.022 0.02 . 1 . . . . 89 ILE HA . 15723 1 1092 . 1 1 89 89 ILE HB H 1 1.437 0.02 . 1 . . . . 89 ILE HB . 15723 1 1093 . 1 1 89 89 ILE HD11 H 1 0.655 0.02 . 2 . . . . 89 ILE QD1 . 15723 1 1094 . 1 1 89 89 ILE HD12 H 1 0.655 0.02 . 2 . . . . 89 ILE QD1 . 15723 1 1095 . 1 1 89 89 ILE HD13 H 1 0.655 0.02 . 2 . . . . 89 ILE QD1 . 15723 1 1096 . 1 1 89 89 ILE HG12 H 1 1.034 0.02 . 2 . . . . 89 ILE QG1 . 15723 1 1097 . 1 1 89 89 ILE HG13 H 1 1.034 0.02 . 2 . . . . 89 ILE QG1 . 15723 1 1098 . 1 1 89 89 ILE HG21 H 1 0.790 0.02 . 2 . . . . 89 ILE QG2 . 15723 1 1099 . 1 1 89 89 ILE HG22 H 1 0.790 0.02 . 2 . . . . 89 ILE QG2 . 15723 1 1100 . 1 1 89 89 ILE HG23 H 1 0.790 0.02 . 2 . . . . 89 ILE QG2 . 15723 1 1101 . 1 1 89 89 ILE C C 13 174.582 0.35 . 1 . . . . 89 ILE C . 15723 1 1102 . 1 1 89 89 ILE CA C 13 61.042 0.35 . 1 . . . . 89 ILE CA . 15723 1 1103 . 1 1 89 89 ILE CB C 13 40.176 0.35 . 1 . . . . 89 ILE CB . 15723 1 1104 . 1 1 89 89 ILE CD1 C 13 13.647 0.35 . 1 . . . . 89 ILE CD1 . 15723 1 1105 . 1 1 89 89 ILE CG1 C 13 27.987 0.35 . 1 . . . . 89 ILE CG1 . 15723 1 1106 . 1 1 89 89 ILE CG2 C 13 16.378 0.35 . 1 . . . . 89 ILE CG2 . 15723 1 1107 . 1 1 89 89 ILE N N 15 118.669 0.35 . 1 . . . . 89 ILE N . 15723 1 1108 . 1 1 90 90 ASN H H 1 9.688 0.02 . 1 . . . . 90 ASN HN . 15723 1 1109 . 1 1 90 90 ASN HA H 1 4.281 0.02 . 1 . . . . 90 ASN HA . 15723 1 1110 . 1 1 90 90 ASN HB2 H 1 2.962 0.02 . 2 . . . . 90 ASN HB2 . 15723 1 1111 . 1 1 90 90 ASN HB3 H 1 2.595 0.02 . 2 . . . . 90 ASN HB3 . 15723 1 1112 . 1 1 90 90 ASN HD21 H 1 7.482 0.02 . 2 . . . . 90 ASN HD21 . 15723 1 1113 . 1 1 90 90 ASN HD22 H 1 6.798 0.02 . 2 . . . . 90 ASN HD22 . 15723 1 1114 . 1 1 90 90 ASN C C 13 171.418 0.35 . 1 . . . . 90 ASN C . 15723 1 1115 . 1 1 90 90 ASN CA C 13 53.724 0.35 . 1 . . . . 90 ASN CA . 15723 1 1116 . 1 1 90 90 ASN CB C 13 36.919 0.35 . 1 . . . . 90 ASN CB . 15723 1 1117 . 1 1 90 90 ASN N N 15 128.710 0.35 . 1 . . . . 90 ASN N . 15723 1 1118 . 1 1 90 90 ASN ND2 N 15 112.799 0.35 . 1 . . . . 90 ASN ND2 . 15723 1 1119 . 1 1 91 91 GLN H H 1 10.928 0.02 . 1 . . . . 91 GLN HN . 15723 1 1120 . 1 1 91 91 GLN HA H 1 2.586 0.02 . 1 . . . . 91 GLN HA . 15723 1 1121 . 1 1 91 91 GLN HB2 H 1 1.377 0.02 . 2 . . . . 91 GLN HB2 . 15723 1 1122 . 1 1 91 91 GLN HB3 H 1 1.791 0.02 . 2 . . . . 91 GLN HB3 . 15723 1 1123 . 1 1 91 91 GLN HE21 H 1 7.614 0.02 . 2 . . . . 91 GLN HE21 . 15723 1 1124 . 1 1 91 91 GLN HE22 H 1 6.823 0.02 . 2 . . . . 91 GLN HE22 . 15723 1 1125 . 1 1 91 91 GLN HG2 H 1 0.065 0.02 . 2 . . . . 91 GLN HG2 . 15723 1 1126 . 1 1 91 91 GLN HG3 H 1 1.433 0.02 . 2 . . . . 91 GLN HG3 . 15723 1 1127 . 1 1 91 91 GLN C C 13 170.146 0.35 . 1 . . . . 91 GLN C . 15723 1 1128 . 1 1 91 91 GLN CA C 13 55.444 0.35 . 1 . . . . 91 GLN CA . 15723 1 1129 . 1 1 91 91 GLN CB C 13 23.948 0.35 . 1 . . . . 91 GLN CB . 15723 1 1130 . 1 1 91 91 GLN CG C 13 31.376 0.35 . 1 . . . . 91 GLN CG . 15723 1 1131 . 1 1 91 91 GLN N N 15 112.871 0.35 . 1 . . . . 91 GLN N . 15723 1 1132 . 1 1 91 91 GLN NE2 N 15 115.018 0.35 . 1 . . . . 91 GLN NE2 . 15723 1 1133 . 1 1 92 92 ALA H H 1 7.692 0.02 . 1 . . . . 92 ALA HN . 15723 1 1134 . 1 1 92 92 ALA HA H 1 4.979 0.02 . 1 . . . . 92 ALA HA . 15723 1 1135 . 1 1 92 92 ALA HB1 H 1 1.341 0.02 . 2 . . . . 92 ALA QB . 15723 1 1136 . 1 1 92 92 ALA HB2 H 1 1.341 0.02 . 2 . . . . 92 ALA QB . 15723 1 1137 . 1 1 92 92 ALA HB3 H 1 1.341 0.02 . 2 . . . . 92 ALA QB . 15723 1 1138 . 1 1 92 92 ALA C C 13 174.068 0.35 . 1 . . . . 92 ALA C . 15723 1 1139 . 1 1 92 92 ALA CA C 13 49.792 0.35 . 1 . . . . 92 ALA CA . 15723 1 1140 . 1 1 92 92 ALA CB C 13 21.832 0.35 . 1 . . . . 92 ALA CB . 15723 1 1141 . 1 1 92 92 ALA N N 15 118.287 0.35 . 1 . . . . 92 ALA N . 15723 1 1142 . 1 1 93 93 THR H H 1 9.026 0.02 . 1 . . . . 93 THR HN . 15723 1 1143 . 1 1 93 93 THR HA H 1 5.281 0.02 . 1 . . . . 93 THR HA . 15723 1 1144 . 1 1 93 93 THR HB H 1 3.958 0.02 . 1 . . . . 93 THR HB . 15723 1 1145 . 1 1 93 93 THR HG21 H 1 1.321 0.02 . 2 . . . . 93 THR QG2 . 15723 1 1146 . 1 1 93 93 THR HG22 H 1 1.321 0.02 . 2 . . . . 93 THR QG2 . 15723 1 1147 . 1 1 93 93 THR HG23 H 1 1.321 0.02 . 2 . . . . 93 THR QG2 . 15723 1 1148 . 1 1 93 93 THR C C 13 170.768 0.35 . 1 . . . . 93 THR C . 15723 1 1149 . 1 1 93 93 THR CA C 13 58.597 0.35 . 1 . . . . 93 THR CA . 15723 1 1150 . 1 1 93 93 THR CB C 13 70.855 0.35 . 1 . . . . 93 THR CB . 15723 1 1151 . 1 1 93 93 THR CG2 C 13 18.977 0.35 . 1 . . . . 93 THR CG2 . 15723 1 1152 . 1 1 93 93 THR N N 15 114.894 0.35 . 1 . . . . 93 THR N . 15723 1 1153 . 1 1 94 94 THR H H 1 8.292 0.02 . 1 . . . . 94 THR HN . 15723 1 1154 . 1 1 94 94 THR HA H 1 4.903 0.02 . 1 . . . . 94 THR HA . 15723 1 1155 . 1 1 94 94 THR HB H 1 4.615 0.02 . 1 . . . . 94 THR HB . 15723 1 1156 . 1 1 94 94 THR HG21 H 1 1.030 0.02 . 2 . . . . 94 THR QG2 . 15723 1 1157 . 1 1 94 94 THR HG22 H 1 1.030 0.02 . 2 . . . . 94 THR QG2 . 15723 1 1158 . 1 1 94 94 THR HG23 H 1 1.030 0.02 . 2 . . . . 94 THR QG2 . 15723 1 1159 . 1 1 94 94 THR CA C 13 58.800 0.35 . 1 . . . . 94 THR CA . 15723 1 1160 . 1 1 94 94 THR CB C 13 71.488 0.35 . 1 . . . . 94 THR CB . 15723 1 1161 . 1 1 94 94 THR CG2 C 13 21.240 0.35 . 1 . . . . 94 THR CG2 . 15723 1 1162 . 1 1 94 94 THR N N 15 119.907 0.35 . 1 . . . . 94 THR N . 15723 1 1163 . 1 1 95 95 LYS HA H 1 4.056 0.02 . 1 . . . . 95 LYS HA . 15723 1 1164 . 1 1 95 95 LYS HB2 H 1 1.772 0.02 . 2 . . . . 95 LYS HB2 . 15723 1 1165 . 1 1 95 95 LYS HB3 H 1 1.823 0.02 . 2 . . . . 95 LYS HB3 . 15723 1 1166 . 1 1 95 95 LYS HD2 H 1 1.563 0.02 . 2 . . . . 95 LYS HD2 . 15723 1 1167 . 1 1 95 95 LYS HD3 H 1 1.445 0.02 . 2 . . . . 95 LYS HD3 . 15723 1 1168 . 1 1 95 95 LYS HE2 H 1 2.894 0.02 . 2 . . . . 95 LYS QE . 15723 1 1169 . 1 1 95 95 LYS HE3 H 1 2.894 0.02 . 2 . . . . 95 LYS QE . 15723 1 1170 . 1 1 95 95 LYS HG2 H 1 1.359 0.02 . 2 . . . . 95 LYS HG2 . 15723 1 1171 . 1 1 95 95 LYS HG3 H 1 1.424 0.02 . 2 . . . . 95 LYS HG3 . 15723 1 1172 . 1 1 95 95 LYS CA C 13 59.376 0.35 . 1 . . . . 95 LYS CA . 15723 1 1173 . 1 1 95 95 LYS CB C 13 31.083 0.35 . 1 . . . . 95 LYS CB . 15723 1 1174 . 1 1 95 95 LYS CD C 13 28.377 0.35 . 1 . . . . 95 LYS CD . 15723 1 1175 . 1 1 95 95 LYS CE C 13 42.779 0.35 . 1 . . . . 95 LYS CE . 15723 1 1176 . 1 1 95 95 LYS CG C 13 24.320 0.35 . 1 . . . . 95 LYS CG . 15723 1 1177 . 1 1 96 96 THR H H 1 7.773 0.02 . 1 . . . . 96 THR HN . 15723 1 1178 . 1 1 96 96 THR HA H 1 3.798 0.02 . 1 . . . . 96 THR HA . 15723 1 1179 . 1 1 96 96 THR HB H 1 3.473 0.02 . 1 . . . . 96 THR HB . 15723 1 1180 . 1 1 96 96 THR HG21 H 1 0.754 0.02 . 2 . . . . 96 THR QG2 . 15723 1 1181 . 1 1 96 96 THR HG22 H 1 0.754 0.02 . 2 . . . . 96 THR QG2 . 15723 1 1182 . 1 1 96 96 THR HG23 H 1 0.754 0.02 . 2 . . . . 96 THR QG2 . 15723 1 1183 . 1 1 96 96 THR C C 13 171.850 0.35 . 1 . . . . 96 THR C . 15723 1 1184 . 1 1 96 96 THR CA C 13 64.506 0.35 . 1 . . . . 96 THR CA . 15723 1 1185 . 1 1 96 96 THR CB C 13 68.405 0.35 . 1 . . . . 96 THR CB . 15723 1 1186 . 1 1 96 96 THR CG2 C 13 21.973 0.35 . 1 . . . . 96 THR CG2 . 15723 1 1187 . 1 1 96 96 THR N N 15 113.841 0.35 . 1 . . . . 96 THR N . 15723 1 1188 . 1 1 97 97 THR H H 1 6.795 0.02 . 1 . . . . 97 THR HN . 15723 1 1189 . 1 1 97 97 THR HA H 1 3.604 0.02 . 1 . . . . 97 THR HA . 15723 1 1190 . 1 1 97 97 THR HB H 1 4.496 0.02 . 1 . . . . 97 THR HB . 15723 1 1191 . 1 1 97 97 THR HG21 H 1 0.426 0.02 . 2 . . . . 97 THR QG2 . 15723 1 1192 . 1 1 97 97 THR HG22 H 1 0.426 0.02 . 2 . . . . 97 THR QG2 . 15723 1 1193 . 1 1 97 97 THR HG23 H 1 0.426 0.02 . 2 . . . . 97 THR QG2 . 15723 1 1194 . 1 1 97 97 THR C C 13 171.959 0.35 . 1 . . . . 97 THR C . 15723 1 1195 . 1 1 97 97 THR CA C 13 61.209 0.35 . 1 . . . . 97 THR CA . 15723 1 1196 . 1 1 97 97 THR CB C 13 67.962 0.35 . 1 . . . . 97 THR CB . 15723 1 1197 . 1 1 97 97 THR CG2 C 13 20.116 0.35 . 1 . . . . 97 THR CG2 . 15723 1 1198 . 1 1 97 97 THR N N 15 105.731 0.35 . 1 . . . . 97 THR N . 15723 1 1199 . 1 1 98 98 PHE H H 1 7.410 0.02 . 1 . . . . 98 PHE HN . 15723 1 1200 . 1 1 98 98 PHE HA H 1 4.220 0.02 . 1 . . . . 98 PHE HA . 15723 1 1201 . 1 1 98 98 PHE HB2 H 1 2.997 0.02 . 2 . . . . 98 PHE HB2 . 15723 1 1202 . 1 1 98 98 PHE HB3 H 1 3.245 0.02 . 2 . . . . 98 PHE HB3 . 15723 1 1203 . 1 1 98 98 PHE HD1 H 1 7.170 0.02 . 3 . . . . 98 PHE QD . 15723 1 1204 . 1 1 98 98 PHE HD2 H 1 7.170 0.02 . 3 . . . . 98 PHE QD . 15723 1 1205 . 1 1 98 98 PHE HE1 H 1 7.245 0.02 . 3 . . . . 98 PHE QE . 15723 1 1206 . 1 1 98 98 PHE HE2 H 1 7.245 0.02 . 3 . . . . 98 PHE QE . 15723 1 1207 . 1 1 98 98 PHE C C 13 174.528 0.35 . 1 . . . . 98 PHE C . 15723 1 1208 . 1 1 98 98 PHE CA C 13 61.879 0.35 . 1 . . . . 98 PHE CA . 15723 1 1209 . 1 1 98 98 PHE CB C 13 38.875 0.35 . 1 . . . . 98 PHE CB . 15723 1 1210 . 1 1 98 98 PHE CD1 C 13 129.134 0.35 . 3 . . . . 98 PHE CD1 . 15723 1 1211 . 1 1 98 98 PHE CD2 C 13 129.134 0.35 . 3 . . . . 98 PHE CD2 . 15723 1 1212 . 1 1 98 98 PHE CE1 C 13 128.935 0.35 . 3 . . . . 98 PHE CE1 . 15723 1 1213 . 1 1 98 98 PHE CE2 C 13 128.983 0.35 . 3 . . . . 98 PHE CE2 . 15723 1 1214 . 1 1 98 98 PHE N N 15 126.402 0.35 . 1 . . . . 98 PHE N . 15723 1 1215 . 1 1 99 99 LYS H H 1 9.459 0.02 . 1 . . . . 99 LYS HN . 15723 1 1216 . 1 1 99 99 LYS HA H 1 4.089 0.02 . 1 . . . . 99 LYS HA . 15723 1 1217 . 1 1 99 99 LYS HB2 H 1 2.062 0.02 . 2 . . . . 99 LYS HB2 . 15723 1 1218 . 1 1 99 99 LYS HB3 H 1 1.794 0.02 . 2 . . . . 99 LYS HB3 . 15723 1 1219 . 1 1 99 99 LYS HD2 H 1 1.605 0.02 . 2 . . . . 99 LYS HD2 . 15723 1 1220 . 1 1 99 99 LYS HD3 H 1 1.633 0.02 . 2 . . . . 99 LYS HD3 . 15723 1 1221 . 1 1 99 99 LYS HE2 H 1 3.653 0.02 . 2 . . . . 99 LYS HE2 . 15723 1 1222 . 1 1 99 99 LYS HE3 H 1 3.269 0.02 . 2 . . . . 99 LYS HE3 . 15723 1 1223 . 1 1 99 99 LYS HG2 H 1 1.770 0.02 . 2 . . . . 99 LYS HG2 . 15723 1 1224 . 1 1 99 99 LYS HG3 H 1 1.624 0.02 . 2 . . . . 99 LYS HG3 . 15723 1 1225 . 1 1 99 99 LYS CA C 13 60.763 0.35 . 1 . . . . 99 LYS CA . 15723 1 1226 . 1 1 99 99 LYS CB C 13 28.635 0.35 . 1 . . . . 99 LYS CB . 15723 1 1227 . 1 1 99 99 LYS CD C 13 27.189 0.35 . 1 . . . . 99 LYS CD . 15723 1 1228 . 1 1 99 99 LYS CE C 13 48.932 0.35 . 1 . . . . 99 LYS CE . 15723 1 1229 . 1 1 99 99 LYS CG C 13 25.504 0.35 . 1 . . . . 99 LYS CG . 15723 1 1230 . 1 1 99 99 LYS N N 15 121.490 0.35 . 1 . . . . 99 LYS N . 15723 1 1231 . 1 1 100 100 PRO HA H 1 4.922 0.02 . 1 . . . . 100 PRO HA . 15723 1 1232 . 1 1 100 100 PRO HB2 H 1 2.280 0.02 . 2 . . . . 100 PRO HB2 . 15723 1 1233 . 1 1 100 100 PRO HB3 H 1 1.546 0.02 . 2 . . . . 100 PRO HB3 . 15723 1 1234 . 1 1 100 100 PRO HD2 H 1 3.271 0.02 . 2 . . . . 100 PRO HD2 . 15723 1 1235 . 1 1 100 100 PRO HD3 H 1 3.657 0.02 . 2 . . . . 100 PRO HD3 . 15723 1 1236 . 1 1 100 100 PRO HG2 H 1 1.638 0.02 . 2 . . . . 100 PRO HG2 . 15723 1 1237 . 1 1 100 100 PRO HG3 H 1 1.599 0.02 . 2 . . . . 100 PRO HG3 . 15723 1 1238 . 1 1 100 100 PRO C C 13 177.314 0.35 . 1 . . . . 100 PRO C . 15723 1 1239 . 1 1 100 100 PRO CA C 13 66.173 0.35 . 1 . . . . 100 PRO CA . 15723 1 1240 . 1 1 100 100 PRO CB C 13 31.535 0.35 . 1 . . . . 100 PRO CB . 15723 1 1241 . 1 1 100 100 PRO CD C 13 48.964 0.35 . 1 . . . . 100 PRO CD . 15723 1 1242 . 1 1 100 100 PRO CG C 13 27.244 0.35 . 1 . . . . 100 PRO CG . 15723 1 1243 . 1 1 101 101 ASN H H 1 8.530 0.02 . 1 . . . . 101 ASN HN . 15723 1 1244 . 1 1 101 101 ASN HA H 1 5.244 0.02 . 1 . . . . 101 ASN HA . 15723 1 1245 . 1 1 101 101 ASN HB2 H 1 2.224 0.02 . 2 . . . . 101 ASN HB2 . 15723 1 1246 . 1 1 101 101 ASN HB3 H 1 3.019 0.02 . 2 . . . . 101 ASN HB3 . 15723 1 1247 . 1 1 101 101 ASN HD21 H 1 8.706 0.02 . 2 . . . . 101 ASN HD21 . 15723 1 1248 . 1 1 101 101 ASN HD22 H 1 7.149 0.02 . 2 . . . . 101 ASN HD22 . 15723 1 1249 . 1 1 101 101 ASN C C 13 175.204 0.35 . 1 . . . . 101 ASN C . 15723 1 1250 . 1 1 101 101 ASN CA C 13 54.555 0.35 . 1 . . . . 101 ASN CA . 15723 1 1251 . 1 1 101 101 ASN CB C 13 36.187 0.35 . 1 . . . . 101 ASN CB . 15723 1 1252 . 1 1 101 101 ASN N N 15 115.238 0.35 . 1 . . . . 101 ASN N . 15723 1 1253 . 1 1 101 101 ASN ND2 N 15 105.412 0.35 . 1 . . . . 101 ASN ND2 . 15723 1 1254 . 1 1 102 102 THR H H 1 8.488 0.02 . 1 . . . . 102 THR HN . 15723 1 1255 . 1 1 102 102 THR HA H 1 4.184 0.02 . 1 . . . . 102 THR HA . 15723 1 1256 . 1 1 102 102 THR HB H 1 3.591 0.02 . 1 . . . . 102 THR HB . 15723 1 1257 . 1 1 102 102 THR HG21 H 1 0.687 0.02 . 2 . . . . 102 THR QG2 . 15723 1 1258 . 1 1 102 102 THR HG22 H 1 0.687 0.02 . 2 . . . . 102 THR QG2 . 15723 1 1259 . 1 1 102 102 THR HG23 H 1 0.687 0.02 . 2 . . . . 102 THR QG2 . 15723 1 1260 . 1 1 102 102 THR C C 13 171.472 0.35 . 1 . . . . 102 THR C . 15723 1 1261 . 1 1 102 102 THR CA C 13 67.543 0.35 . 1 . . . . 102 THR CA . 15723 1 1262 . 1 1 102 102 THR CB C 13 67.001 0.35 . 1 . . . . 102 THR CB . 15723 1 1263 . 1 1 102 102 THR CG2 C 13 20.029 0.35 . 1 . . . . 102 THR CG2 . 15723 1 1264 . 1 1 102 102 THR N N 15 120.254 0.35 . 1 . . . . 102 THR N . 15723 1 1265 . 1 1 103 103 TRP H H 1 7.283 0.02 . 1 . . . . 103 TRP HN . 15723 1 1266 . 1 1 103 103 TRP HA H 1 3.986 0.02 . 1 . . . . 103 TRP HA . 15723 1 1267 . 1 1 103 103 TRP HB2 H 1 3.269 0.02 . 2 . . . . 103 TRP HB2 . 15723 1 1268 . 1 1 103 103 TRP HB3 H 1 3.340 0.02 . 2 . . . . 103 TRP HB3 . 15723 1 1269 . 1 1 103 103 TRP HD1 H 1 7.348 0.02 . 1 . . . . 103 TRP HD1 . 15723 1 1270 . 1 1 103 103 TRP HE1 H 1 10.162 0.02 . 1 . . . . 103 TRP HE1 . 15723 1 1271 . 1 1 103 103 TRP HE3 H 1 7.193 0.02 . 1 . . . . 103 TRP HE3 . 15723 1 1272 . 1 1 103 103 TRP HH2 H 1 7.172 0.02 . 1 . . . . 103 TRP HH2 . 15723 1 1273 . 1 1 103 103 TRP HZ2 H 1 7.492 0.02 . 1 . . . . 103 TRP HZ2 . 15723 1 1274 . 1 1 103 103 TRP HZ3 H 1 7.170 0.02 . 1 . . . . 103 TRP HZ3 . 15723 1 1275 . 1 1 103 103 TRP C C 13 175.800 0.35 . 1 . . . . 103 TRP C . 15723 1 1276 . 1 1 103 103 TRP CA C 13 60.856 0.35 . 1 . . . . 103 TRP CA . 15723 1 1277 . 1 1 103 103 TRP CB C 13 27.948 0.35 . 1 . . . . 103 TRP CB . 15723 1 1278 . 1 1 103 103 TRP CD1 C 13 125.724 0.35 . 1 . . . . 103 TRP CD1 . 15723 1 1279 . 1 1 103 103 TRP CE3 C 13 118.090 0.35 . 1 . . . . 103 TRP CE3 . 15723 1 1280 . 1 1 103 103 TRP CH2 C 13 121.664 0.35 . 1 . . . . 103 TRP CH2 . 15723 1 1281 . 1 1 103 103 TRP CZ2 C 13 112.175 0.35 . 1 . . . . 103 TRP CZ2 . 15723 1 1282 . 1 1 103 103 TRP CZ3 C 13 119.482 0.35 . 1 . . . . 103 TRP CZ3 . 15723 1 1283 . 1 1 103 103 TRP N N 15 121.763 0.35 . 1 . . . . 103 TRP N . 15723 1 1284 . 1 1 103 103 TRP NE1 N 15 128.697 0.35 . 1 . . . . 103 TRP NE1 . 15723 1 1285 . 1 1 104 104 CYS H H 1 8.233 0.02 . 1 . . . . 104 CYS HN . 15723 1 1286 . 1 1 104 104 CYS HA H 1 4.272 0.02 . 1 . . . . 104 CYS HA . 15723 1 1287 . 1 1 104 104 CYS HB2 H 1 3.168 0.02 . 2 . . . . 104 CYS HB2 . 15723 1 1288 . 1 1 104 104 CYS HB3 H 1 3.490 0.02 . 2 . . . . 104 CYS HB3 . 15723 1 1289 . 1 1 104 104 CYS C C 13 176.259 0.35 . 1 . . . . 104 CYS C . 15723 1 1290 . 1 1 104 104 CYS CA C 13 65.226 0.35 . 1 . . . . 104 CYS CA . 15723 1 1291 . 1 1 104 104 CYS CB C 13 26.949 0.35 . 1 . . . . 104 CYS CB . 15723 1 1292 . 1 1 104 104 CYS N N 15 118.046 0.35 . 1 . . . . 104 CYS N . 15723 1 1293 . 1 1 105 105 LEU H H 1 8.726 0.02 . 1 . . . . 105 LEU HN . 15723 1 1294 . 1 1 105 105 LEU HA H 1 4.000 0.02 . 1 . . . . 105 LEU HA . 15723 1 1295 . 1 1 105 105 LEU HB2 H 1 1.835 0.02 . 2 . . . . 105 LEU HB2 . 15723 1 1296 . 1 1 105 105 LEU HB3 H 1 1.471 0.02 . 2 . . . . 105 LEU HB3 . 15723 1 1297 . 1 1 105 105 LEU HD11 H 1 0.772 0.02 . 2 . . . . 105 LEU QD1 . 15723 1 1298 . 1 1 105 105 LEU HD12 H 1 0.772 0.02 . 2 . . . . 105 LEU QD1 . 15723 1 1299 . 1 1 105 105 LEU HD13 H 1 0.772 0.02 . 2 . . . . 105 LEU QD1 . 15723 1 1300 . 1 1 105 105 LEU HD21 H 1 0.805 0.02 . 2 . . . . 105 LEU QD2 . 15723 1 1301 . 1 1 105 105 LEU HD22 H 1 0.805 0.02 . 2 . . . . 105 LEU QD2 . 15723 1 1302 . 1 1 105 105 LEU HD23 H 1 0.805 0.02 . 2 . . . . 105 LEU QD2 . 15723 1 1303 . 1 1 105 105 LEU HG H 1 1.774 0.02 . 1 . . . . 105 LEU HG . 15723 1 1304 . 1 1 105 105 LEU C C 13 176.205 0.35 . 1 . . . . 105 LEU C . 15723 1 1305 . 1 1 105 105 LEU CA C 13 57.810 0.35 . 1 . . . . 105 LEU CA . 15723 1 1306 . 1 1 105 105 LEU CB C 13 40.484 0.35 . 1 . . . . 105 LEU CB . 15723 1 1307 . 1 1 105 105 LEU CD1 C 13 22.245 0.35 . 2 . . . . 105 LEU CD1 . 15723 1 1308 . 1 1 105 105 LEU CD2 C 13 25.375 0.35 . 2 . . . . 105 LEU CD2 . 15723 1 1309 . 1 1 105 105 LEU CG C 13 26.421 0.35 . 1 . . . . 105 LEU CG . 15723 1 1310 . 1 1 105 105 LEU N N 15 120.557 0.35 . 1 . . . . 105 LEU N . 15723 1 1311 . 1 1 106 106 ARG H H 1 6.990 0.02 . 1 . . . . 106 ARG HN . 15723 1 1312 . 1 1 106 106 ARG HA H 1 2.054 0.02 . 1 . . . . 106 ARG HA . 15723 1 1313 . 1 1 106 106 ARG HB2 H 1 1.074 0.02 . 2 . . . . 106 ARG HB2 . 15723 1 1314 . 1 1 106 106 ARG HB3 H 1 1.363 0.02 . 2 . . . . 106 ARG HB3 . 15723 1 1315 . 1 1 106 106 ARG HD2 H 1 2.110 0.02 . 2 . . . . 106 ARG HD2 . 15723 1 1316 . 1 1 106 106 ARG HD3 H 1 1.995 0.02 . 2 . . . . 106 ARG HD3 . 15723 1 1317 . 1 1 106 106 ARG HG2 H 1 0.616 0.02 . 2 . . . . 106 ARG HG2 . 15723 1 1318 . 1 1 106 106 ARG HG3 H 1 0.193 0.02 . 2 . . . . 106 ARG HG3 . 15723 1 1319 . 1 1 106 106 ARG C C 13 177.179 0.35 . 1 . . . . 106 ARG C . 15723 1 1320 . 1 1 106 106 ARG CA C 13 57.405 0.35 . 1 . . . . 106 ARG CA . 15723 1 1321 . 1 1 106 106 ARG CB C 13 29.269 0.35 . 1 . . . . 106 ARG CB . 15723 1 1322 . 1 1 106 106 ARG CD C 13 42.674 0.35 . 1 . . . . 106 ARG CD . 15723 1 1323 . 1 1 106 106 ARG CG C 13 26.340 0.35 . 1 . . . . 106 ARG CG . 15723 1 1324 . 1 1 106 106 ARG N N 15 118.050 0.35 . 1 . . . . 106 ARG N . 15723 1 1325 . 1 1 107 107 CYS H H 1 7.623 0.02 . 1 . . . . 107 CYS HN . 15723 1 1326 . 1 1 107 107 CYS HA H 1 4.031 0.02 . 1 . . . . 107 CYS HA . 15723 1 1327 . 1 1 107 107 CYS HB2 H 1 2.698 0.02 . 2 . . . . 107 CYS HB2 . 15723 1 1328 . 1 1 107 107 CYS HB3 H 1 3.281 0.02 . 2 . . . . 107 CYS HB3 . 15723 1 1329 . 1 1 107 107 CYS C C 13 172.337 0.35 . 1 . . . . 107 CYS C . 15723 1 1330 . 1 1 107 107 CYS CA C 13 63.291 0.35 . 1 . . . . 107 CYS CA . 15723 1 1331 . 1 1 107 107 CYS CB C 13 26.214 0.35 . 1 . . . . 107 CYS CB . 15723 1 1332 . 1 1 107 107 CYS N N 15 117.028 0.35 . 1 . . . . 107 CYS N . 15723 1 1333 . 1 1 108 108 LEU H H 1 7.484 0.02 . 1 . . . . 108 LEU HN . 15723 1 1334 . 1 1 108 108 LEU HA H 1 4.159 0.02 . 1 . . . . 108 LEU HA . 15723 1 1335 . 1 1 108 108 LEU HB2 H 1 0.910 0.02 . 2 . . . . 108 LEU HB2 . 15723 1 1336 . 1 1 108 108 LEU HB3 H 1 2.246 0.02 . 2 . . . . 108 LEU HB3 . 15723 1 1337 . 1 1 108 108 LEU HD11 H 1 0.595 0.02 . 2 . . . . 108 LEU QD1 . 15723 1 1338 . 1 1 108 108 LEU HD12 H 1 0.595 0.02 . 2 . . . . 108 LEU QD1 . 15723 1 1339 . 1 1 108 108 LEU HD13 H 1 0.595 0.02 . 2 . . . . 108 LEU QD1 . 15723 1 1340 . 1 1 108 108 LEU HD21 H 1 0.547 0.02 . 2 . . . . 108 LEU QD2 . 15723 1 1341 . 1 1 108 108 LEU HD22 H 1 0.547 0.02 . 2 . . . . 108 LEU QD2 . 15723 1 1342 . 1 1 108 108 LEU HD23 H 1 0.547 0.02 . 2 . . . . 108 LEU QD2 . 15723 1 1343 . 1 1 108 108 LEU HG H 1 1.819 0.02 . 1 . . . . 108 LEU HG . 15723 1 1344 . 1 1 108 108 LEU C C 13 174.582 0.35 . 1 . . . . 108 LEU C . 15723 1 1345 . 1 1 108 108 LEU CA C 13 54.203 0.35 . 1 . . . . 108 LEU CA . 15723 1 1346 . 1 1 108 108 LEU CB C 13 41.621 0.35 . 1 . . . . 108 LEU CB . 15723 1 1347 . 1 1 108 108 LEU CD1 C 13 25.529 0.35 . 2 . . . . 108 LEU CD1 . 15723 1 1348 . 1 1 108 108 LEU CD2 C 13 22.911 0.35 . 2 . . . . 108 LEU CD2 . 15723 1 1349 . 1 1 108 108 LEU CG C 13 25.585 0.35 . 1 . . . . 108 LEU CG . 15723 1 1350 . 1 1 108 108 LEU N N 15 117.680 0.35 . 1 . . . . 108 LEU N . 15723 1 1351 . 1 1 109 109 TRP H H 1 7.427 0.02 . 1 . . . . 109 TRP HN . 15723 1 1352 . 1 1 109 109 TRP HA H 1 4.828 0.02 . 1 . . . . 109 TRP HA . 15723 1 1353 . 1 1 109 109 TRP HB2 H 1 3.312 0.02 . 2 . . . . 109 TRP HB2 . 15723 1 1354 . 1 1 109 109 TRP HB3 H 1 3.372 0.02 . 2 . . . . 109 TRP HB3 . 15723 1 1355 . 1 1 109 109 TRP HD1 H 1 7.456 0.02 . 1 . . . . 109 TRP HD1 . 15723 1 1356 . 1 1 109 109 TRP HE1 H 1 10.986 0.02 . 1 . . . . 109 TRP HE1 . 15723 1 1357 . 1 1 109 109 TRP HE3 H 1 7.475 0.02 . 1 . . . . 109 TRP HE3 . 15723 1 1358 . 1 1 109 109 TRP HH2 H 1 7.153 0.02 . 1 . . . . 109 TRP HH2 . 15723 1 1359 . 1 1 109 109 TRP HZ2 H 1 7.351 0.02 . 1 . . . . 109 TRP HZ2 . 15723 1 1360 . 1 1 109 109 TRP HZ3 H 1 7.016 0.02 . 1 . . . . 109 TRP HZ3 . 15723 1 1361 . 1 1 109 109 TRP C C 13 173.176 0.35 . 1 . . . . 109 TRP C . 15723 1 1362 . 1 1 109 109 TRP CA C 13 56.353 0.35 . 1 . . . . 109 TRP CA . 15723 1 1363 . 1 1 109 109 TRP CB C 13 29.743 0.35 . 1 . . . . 109 TRP CB . 15723 1 1364 . 1 1 109 109 TRP CD1 C 13 121.439 0.35 . 1 . . . . 109 TRP CD1 . 15723 1 1365 . 1 1 109 109 TRP CE3 C 13 116.996 0.35 . 1 . . . . 109 TRP CE3 . 15723 1 1366 . 1 1 109 109 TRP CH2 C 13 122.283 0.35 . 1 . . . . 109 TRP CH2 . 15723 1 1367 . 1 1 109 109 TRP CZ2 C 13 112.522 0.35 . 1 . . . . 109 TRP CZ2 . 15723 1 1368 . 1 1 109 109 TRP CZ3 C 13 118.565 0.35 . 1 . . . . 109 TRP CZ3 . 15723 1 1369 . 1 1 109 109 TRP N N 15 119.087 0.35 . 1 . . . . 109 TRP N . 15723 1 1370 . 1 1 109 109 TRP NE1 N 15 128.651 0.35 . 1 . . . . 109 TRP NE1 . 15723 1 1371 . 1 1 110 110 SER H H 1 8.199 0.02 . 1 . . . . 110 SER HN . 15723 1 1372 . 1 1 110 110 SER HA H 1 4.688 0.02 . 1 . . . . 110 SER HA . 15723 1 1373 . 1 1 110 110 SER HB2 H 1 3.905 0.02 . 2 . . . . 110 SER HB2 . 15723 1 1374 . 1 1 110 110 SER HB3 H 1 4.730 0.02 . 2 . . . . 110 SER HB3 . 15723 1 1375 . 1 1 110 110 SER C C 13 171.769 0.35 . 1 . . . . 110 SER C . 15723 1 1376 . 1 1 110 110 SER CA C 13 56.324 0.35 . 1 . . . . 110 SER CA . 15723 1 1377 . 1 1 110 110 SER CB C 13 64.513 0.35 . 1 . . . . 110 SER CB . 15723 1 1378 . 1 1 110 110 SER N N 15 115.602 0.35 . 1 . . . . 110 SER N . 15723 1 1379 . 1 1 111 111 THR H H 1 8.268 0.02 . 1 . . . . 111 THR HN . 15723 1 1380 . 1 1 111 111 THR HA H 1 4.425 0.02 . 1 . . . . 111 THR HA . 15723 1 1381 . 1 1 111 111 THR HB H 1 4.170 0.02 . 1 . . . . 111 THR HB . 15723 1 1382 . 1 1 111 111 THR HG21 H 1 1.124 0.02 . 2 . . . . 111 THR QG2 . 15723 1 1383 . 1 1 111 111 THR HG22 H 1 1.124 0.02 . 2 . . . . 111 THR QG2 . 15723 1 1384 . 1 1 111 111 THR HG23 H 1 1.124 0.02 . 2 . . . . 111 THR QG2 . 15723 1 1385 . 1 1 111 111 THR C C 13 171.526 0.35 . 1 . . . . 111 THR C . 15723 1 1386 . 1 1 111 111 THR CA C 13 60.861 0.35 . 1 . . . . 111 THR CA . 15723 1 1387 . 1 1 111 111 THR CB C 13 69.202 0.35 . 1 . . . . 111 THR CB . 15723 1 1388 . 1 1 111 111 THR CG2 C 13 21.619 0.35 . 1 . . . . 111 THR CG2 . 15723 1 1389 . 1 1 111 111 THR N N 15 114.394 0.35 . 1 . . . . 111 THR N . 15723 1 1390 . 1 1 112 112 LYS H H 1 8.240 0.02 . 1 . . . . 112 LYS HN . 15723 1 1391 . 1 1 112 112 LYS HA H 1 4.530 0.02 . 1 . . . . 112 LYS HA . 15723 1 1392 . 1 1 112 112 LYS HB2 H 1 1.642 0.02 . 2 . . . . 112 LYS HB2 . 15723 1 1393 . 1 1 112 112 LYS HB3 H 1 1.724 0.02 . 2 . . . . 112 LYS HB3 . 15723 1 1394 . 1 1 112 112 LYS HD2 H 1 1.591 0.02 . 2 . . . . 112 LYS QD . 15723 1 1395 . 1 1 112 112 LYS HD3 H 1 1.591 0.02 . 2 . . . . 112 LYS QD . 15723 1 1396 . 1 1 112 112 LYS HE2 H 1 2.899 0.02 . 2 . . . . 112 LYS QE . 15723 1 1397 . 1 1 112 112 LYS HE3 H 1 2.899 0.02 . 2 . . . . 112 LYS QE . 15723 1 1398 . 1 1 112 112 LYS HG2 H 1 1.370 0.02 . 2 . . . . 112 LYS QG . 15723 1 1399 . 1 1 112 112 LYS HG3 H 1 1.370 0.02 . 2 . . . . 112 LYS QG . 15723 1 1400 . 1 1 112 112 LYS CA C 13 53.768 0.35 . 1 . . . . 112 LYS CA . 15723 1 1401 . 1 1 112 112 LYS CB C 13 32.067 0.35 . 1 . . . . 112 LYS CB . 15723 1 1402 . 1 1 112 112 LYS CD C 13 28.739 0.35 . 1 . . . . 112 LYS CD . 15723 1 1403 . 1 1 112 112 LYS CE C 13 41.380 0.35 . 1 . . . . 112 LYS CE . 15723 1 1404 . 1 1 112 112 LYS CG C 13 23.744 0.35 . 1 . . . . 112 LYS CG . 15723 1 1405 . 1 1 112 112 LYS N N 15 125.207 0.35 . 1 . . . . 112 LYS N . 15723 1 1406 . 1 1 113 113 PRO HA H 1 4.380 0.02 . 1 . . . . 113 PRO HA . 15723 1 1407 . 1 1 113 113 PRO HB2 H 1 2.219 0.02 . 2 . . . . 113 PRO HB2 . 15723 1 1408 . 1 1 113 113 PRO HB3 H 1 1.831 0.02 . 2 . . . . 113 PRO HB3 . 15723 1 1409 . 1 1 113 113 PRO HD2 H 1 3.544 0.02 . 2 . . . . 113 PRO HD2 . 15723 1 1410 . 1 1 113 113 PRO HD3 H 1 3.794 0.02 . 2 . . . . 113 PRO HD3 . 15723 1 1411 . 1 1 113 113 PRO HG2 H 1 1.932 0.02 . 2 . . . . 113 PRO QG . 15723 1 1412 . 1 1 113 113 PRO HG3 H 1 1.932 0.02 . 2 . . . . 113 PRO QG . 15723 1 1413 . 1 1 113 113 PRO C C 13 174.095 0.35 . 1 . . . . 113 PRO C . 15723 1 1414 . 1 1 113 113 PRO CA C 13 62.381 0.35 . 1 . . . . 113 PRO CA . 15723 1 1415 . 1 1 113 113 PRO CB C 13 31.408 0.35 . 1 . . . . 113 PRO CB . 15723 1 1416 . 1 1 113 113 PRO CD C 13 50.065 0.35 . 1 . . . . 113 PRO CD . 15723 1 1417 . 1 1 113 113 PRO CG C 13 26.797 0.35 . 1 . . . . 113 PRO CG . 15723 1 1418 . 1 1 114 114 VAL H H 1 8.195 0.02 . 1 . . . . 114 VAL HN . 15723 1 1419 . 1 1 114 114 VAL HA H 1 4.029 0.02 . 1 . . . . 114 VAL HA . 15723 1 1420 . 1 1 114 114 VAL HB H 1 2.005 0.02 . 1 . . . . 114 VAL HB . 15723 1 1421 . 1 1 114 114 VAL HG11 H 1 1.387 0.02 . 2 . . . . 114 VAL QG1 . 15723 1 1422 . 1 1 114 114 VAL HG12 H 1 1.387 0.02 . 2 . . . . 114 VAL QG1 . 15723 1 1423 . 1 1 114 114 VAL HG13 H 1 1.387 0.02 . 2 . . . . 114 VAL QG1 . 15723 1 1424 . 1 1 114 114 VAL HG21 H 1 0.871 0.02 . 2 . . . . 114 VAL QG2 . 15723 1 1425 . 1 1 114 114 VAL HG22 H 1 0.871 0.02 . 2 . . . . 114 VAL QG2 . 15723 1 1426 . 1 1 114 114 VAL HG23 H 1 0.871 0.02 . 2 . . . . 114 VAL QG2 . 15723 1 1427 . 1 1 114 114 VAL C C 13 173.122 0.35 . 1 . . . . 114 VAL C . 15723 1 1428 . 1 1 114 114 VAL CA C 13 61.335 0.35 . 1 . . . . 114 VAL CA . 15723 1 1429 . 1 1 114 114 VAL CB C 13 32.153 0.35 . 1 . . . . 114 VAL CB . 15723 1 1430 . 1 1 114 114 VAL CG1 C 13 20.410 0.35 . 2 . . . . 114 VAL CG1 . 15723 1 1431 . 1 1 114 114 VAL CG2 C 13 19.740 0.35 . 2 . . . . 114 VAL CG2 . 15723 1 1432 . 1 1 114 114 VAL N N 15 120.113 0.35 . 1 . . . . 114 VAL N . 15723 1 1433 . 1 1 115 115 ASP H H 1 8.345 0.02 . 1 . . . . 115 ASP HN . 15723 1 1434 . 1 1 115 115 ASP HA H 1 4.592 0.02 . 1 . . . . 115 ASP HA . 15723 1 1435 . 1 1 115 115 ASP HB2 H 1 2.640 0.02 . 2 . . . . 115 ASP HB2 . 15723 1 1436 . 1 1 115 115 ASP HB3 H 1 2.542 0.02 . 2 . . . . 115 ASP HB3 . 15723 1 1437 . 1 1 115 115 ASP C C 13 172.608 0.35 . 1 . . . . 115 ASP C . 15723 1 1438 . 1 1 115 115 ASP CA C 13 53.202 0.35 . 1 . . . . 115 ASP CA . 15723 1 1439 . 1 1 115 115 ASP CB C 13 40.552 0.35 . 1 . . . . 115 ASP CB . 15723 1 1440 . 1 1 115 115 ASP N N 15 123.853 0.35 . 1 . . . . 115 ASP N . 15723 1 1441 . 1 1 116 116 THR H H 1 7.617 0.02 . 1 . . . . 116 THR HN . 15723 1 1442 . 1 1 116 116 THR HA H 1 4.674 0.02 . 1 . . . . 116 THR HA . 15723 1 1443 . 1 1 116 116 THR HB H 1 3.988 0.02 . 1 . . . . 116 THR HB . 15723 1 1444 . 1 1 116 116 THR HG21 H 1 1.268 0.02 . 2 . . . . 116 THR QG2 . 15723 1 1445 . 1 1 116 116 THR HG22 H 1 1.268 0.02 . 2 . . . . 116 THR QG2 . 15723 1 1446 . 1 1 116 116 THR HG23 H 1 1.268 0.02 . 2 . . . . 116 THR QG2 . 15723 1 1447 . 1 1 116 116 THR CA C 13 62.137 0.35 . 1 . . . . 116 THR CA . 15723 1 1448 . 1 1 116 116 THR CB C 13 69.997 0.35 . 1 . . . . 116 THR CB . 15723 1 1449 . 1 1 116 116 THR CG2 C 13 17.414 0.35 . 1 . . . . 116 THR CG2 . 15723 1 1450 . 1 1 116 116 THR N N 15 118.783 0.35 . 1 . . . . 116 THR N . 15723 1 stop_ save_