data_16019 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16019 _Entry.Title ; NMR Structure of the protein TM1081 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-04 _Entry.Accession_date 2008-11-04 _Entry.Last_release_date 2012-05-31 _Entry.Original_release_date 2012-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Pedro Serrano . . . 16019 2 Micheal Geralt . . . 16019 3 Biswaranjan Mohanty . . . 16019 4 Bill Pedrini . . . 16019 5 Reto Horst . . . 16019 6 Kurt Wuthrich . . . 16019 7 Ian Wilson . . . 16019 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16019 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Termotoga Marithima' . 16019 TM1081 . 16019 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16019 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 16019 '15N chemical shifts' 118 16019 '1H chemical shifts' 843 16019 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-31 2008-11-04 original author . 16019 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KA5 'BMRB Entry Tracking System' 16019 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16019 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20944236 _Citation.Full_citation . _Citation.Title 'Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 66 _Citation.Journal_issue 10 _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 1393 _Citation.Page_last 1405 _Citation.Year 2010 _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 . . . 16019 1 2 Bill Pedrini . . . 16019 1 3 Michael Geralt . . . 16019 1 4 Kristaps Jaudzems . . . 16019 1 5 Biswaranjan Mohanty . . . 16019 1 6 Reto Horst . . . 16019 1 7 Torsten Herrmann . . . 16019 1 8 Marc-Andre Elsliger . . . 16019 1 9 Ian Wilson . A. . 16019 1 10 Kurt Wuthrich . . . 16019 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16019 _Assembly.ID 1 _Assembly.Name TM1081 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TM1081 1 $TM1081 A . yes native no no . . . 16019 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1081 _Entity.Sf_category entity _Entity.Sf_framecode TM1081 _Entity.Entry_ID 16019 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1081 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSDKIHHHHHHMFPYKIVD DVVILMPNKELNIENAHLFK KWVFDEFLNKGYNKIFLVLS DVESIDSFSLGVIVNILKSI SSSGGFFALVSPNEKVERVL SLTNLDRIVKIYDTISEAME EVRRK ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KA5 . "Nmr Structure Of The Protein Tm1081" . . . . . 100.00 125 100.00 100.00 1.87e-82 . . . . 16019 1 2 no PDB 3F43 . "Crystal Structure Of A Putative Anti-sigma Factor Antagonist (tm1081) From Thermotoga Maritima At 1.59 A Resolution" . . . . . 99.20 125 97.58 97.58 1.43e-78 . . . . 16019 1 3 no GB AAD36158 . "anti-sigma factor antagonist, putative [Thermotoga maritima MSB8]" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 1 4 no GB ABQ47668 . "anti-sigma-factor antagonist [Thermotoga petrophila RKU-1]" . . . . . 90.40 113 99.12 100.00 5.15e-72 . . . . 16019 1 5 no GB ACB10069 . "anti-sigma-factor antagonist [Thermotoga sp. RQ2]" . . . . . 90.40 113 98.23 99.12 3.63e-71 . . . . 16019 1 6 no GB AGL50009 . "anti-sigma F factor antagonist (spoIIAA-2); anti sigma b factor antagonist RsbV [Thermotoga maritima MSB8]" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 1 7 no GB AHD19011 . "anti-sigma factor antagonist [Thermotoga maritima MSB8]" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 1 8 no REF NP_228887 . "anti-sigma factor antagonist [Thermotoga maritima MSB8]" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 1 9 no REF WP_004080402 . "MULTISPECIES: anti-sigma factor antagonist [Thermotoga]" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 1 10 no REF WP_011944077 . "anti-sigma factor antagonist [Thermotoga petrophila]" . . . . . 90.40 113 99.12 100.00 5.15e-72 . . . . 16019 1 11 no REF WP_012311312 . "MULTISPECIES: anti-sigma factor antagonist [Thermotoga]" . . . . . 90.40 113 98.23 99.12 3.63e-71 . . . . 16019 1 12 no REF WP_039446238 . "anti-sigma factor antagonist [Thermotoga sp. Cell2]" . . . . . 90.40 113 97.35 99.12 5.73e-71 . . . . 16019 1 13 no SP Q9X0H0 . "RecName: Full=Putative anti-sigma factor antagonist TM_1081" . . . . . 90.40 113 100.00 100.00 3.26e-72 . . . . 16019 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 . 16019 1 2 . GLY . 16019 1 3 . SER . 16019 1 4 . ASP . 16019 1 5 . LYS . 16019 1 6 . ILE . 16019 1 7 . HIS . 16019 1 8 . HIS . 16019 1 9 . HIS . 16019 1 10 . HIS . 16019 1 11 . HIS . 16019 1 12 . HIS . 16019 1 13 . MET . 16019 1 14 . PHE . 16019 1 15 . PRO . 16019 1 16 . TYR . 16019 1 17 . LYS . 16019 1 18 . ILE . 16019 1 19 . VAL . 16019 1 20 . ASP . 16019 1 21 . ASP . 16019 1 22 . VAL . 16019 1 23 . VAL . 16019 1 24 . ILE . 16019 1 25 . LEU . 16019 1 26 . MET . 16019 1 27 . PRO . 16019 1 28 . ASN . 16019 1 29 . LYS . 16019 1 30 . GLU . 16019 1 31 . LEU . 16019 1 32 . ASN . 16019 1 33 . ILE . 16019 1 34 . GLU . 16019 1 35 . ASN . 16019 1 36 . ALA . 16019 1 37 . HIS . 16019 1 38 . LEU . 16019 1 39 . PHE . 16019 1 40 . LYS . 16019 1 41 . LYS . 16019 1 42 . TRP . 16019 1 43 . VAL . 16019 1 44 . PHE . 16019 1 45 . ASP . 16019 1 46 . GLU . 16019 1 47 . PHE . 16019 1 48 . LEU . 16019 1 49 . ASN . 16019 1 50 . LYS . 16019 1 51 . GLY . 16019 1 52 . TYR . 16019 1 53 . ASN . 16019 1 54 . LYS . 16019 1 55 . ILE . 16019 1 56 . PHE . 16019 1 57 . LEU . 16019 1 58 . VAL . 16019 1 59 . LEU . 16019 1 60 . SER . 16019 1 61 . ASP . 16019 1 62 . VAL . 16019 1 63 . GLU . 16019 1 64 . SER . 16019 1 65 . ILE . 16019 1 66 . ASP . 16019 1 67 . SER . 16019 1 68 . PHE . 16019 1 69 . SER . 16019 1 70 . LEU . 16019 1 71 . GLY . 16019 1 72 . VAL . 16019 1 73 . ILE . 16019 1 74 . VAL . 16019 1 75 . ASN . 16019 1 76 . ILE . 16019 1 77 . LEU . 16019 1 78 . LYS . 16019 1 79 . SER . 16019 1 80 . ILE . 16019 1 81 . SER . 16019 1 82 . SER . 16019 1 83 . SER . 16019 1 84 . GLY . 16019 1 85 . GLY . 16019 1 86 . PHE . 16019 1 87 . PHE . 16019 1 88 . ALA . 16019 1 89 . LEU . 16019 1 90 . VAL . 16019 1 91 . SER . 16019 1 92 . PRO . 16019 1 93 . ASN . 16019 1 94 . GLU . 16019 1 95 . LYS . 16019 1 96 . VAL . 16019 1 97 . GLU . 16019 1 98 . ARG . 16019 1 99 . VAL . 16019 1 100 . LEU . 16019 1 101 . SER . 16019 1 102 . LEU . 16019 1 103 . THR . 16019 1 104 . ASN . 16019 1 105 . LEU . 16019 1 106 . ASP . 16019 1 107 . ARG . 16019 1 108 . ILE . 16019 1 109 . VAL . 16019 1 110 . LYS . 16019 1 111 . ILE . 16019 1 112 . TYR . 16019 1 113 . ASP . 16019 1 114 . THR . 16019 1 115 . ILE . 16019 1 116 . SER . 16019 1 117 . GLU . 16019 1 118 . ALA . 16019 1 119 . MET . 16019 1 120 . GLU . 16019 1 121 . GLU . 16019 1 122 . VAL . 16019 1 123 . ARG . 16019 1 124 . ARG . 16019 1 125 . LYS . 16019 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 16019 1 . GLY 2 2 16019 1 . SER 3 3 16019 1 . ASP 4 4 16019 1 . LYS 5 5 16019 1 . ILE 6 6 16019 1 . HIS 7 7 16019 1 . HIS 8 8 16019 1 . HIS 9 9 16019 1 . HIS 10 10 16019 1 . HIS 11 11 16019 1 . HIS 12 12 16019 1 . MET 13 13 16019 1 . PHE 14 14 16019 1 . PRO 15 15 16019 1 . TYR 16 16 16019 1 . LYS 17 17 16019 1 . ILE 18 18 16019 1 . VAL 19 19 16019 1 . ASP 20 20 16019 1 . ASP 21 21 16019 1 . VAL 22 22 16019 1 . VAL 23 23 16019 1 . ILE 24 24 16019 1 . LEU 25 25 16019 1 . MET 26 26 16019 1 . PRO 27 27 16019 1 . ASN 28 28 16019 1 . LYS 29 29 16019 1 . GLU 30 30 16019 1 . LEU 31 31 16019 1 . ASN 32 32 16019 1 . ILE 33 33 16019 1 . GLU 34 34 16019 1 . ASN 35 35 16019 1 . ALA 36 36 16019 1 . HIS 37 37 16019 1 . LEU 38 38 16019 1 . PHE 39 39 16019 1 . LYS 40 40 16019 1 . LYS 41 41 16019 1 . TRP 42 42 16019 1 . VAL 43 43 16019 1 . PHE 44 44 16019 1 . ASP 45 45 16019 1 . GLU 46 46 16019 1 . PHE 47 47 16019 1 . LEU 48 48 16019 1 . ASN 49 49 16019 1 . LYS 50 50 16019 1 . GLY 51 51 16019 1 . TYR 52 52 16019 1 . ASN 53 53 16019 1 . LYS 54 54 16019 1 . ILE 55 55 16019 1 . PHE 56 56 16019 1 . LEU 57 57 16019 1 . VAL 58 58 16019 1 . LEU 59 59 16019 1 . SER 60 60 16019 1 . ASP 61 61 16019 1 . VAL 62 62 16019 1 . GLU 63 63 16019 1 . SER 64 64 16019 1 . ILE 65 65 16019 1 . ASP 66 66 16019 1 . SER 67 67 16019 1 . PHE 68 68 16019 1 . SER 69 69 16019 1 . LEU 70 70 16019 1 . GLY 71 71 16019 1 . VAL 72 72 16019 1 . ILE 73 73 16019 1 . VAL 74 74 16019 1 . ASN 75 75 16019 1 . ILE 76 76 16019 1 . LEU 77 77 16019 1 . LYS 78 78 16019 1 . SER 79 79 16019 1 . ILE 80 80 16019 1 . SER 81 81 16019 1 . SER 82 82 16019 1 . SER 83 83 16019 1 . GLY 84 84 16019 1 . GLY 85 85 16019 1 . PHE 86 86 16019 1 . PHE 87 87 16019 1 . ALA 88 88 16019 1 . LEU 89 89 16019 1 . VAL 90 90 16019 1 . SER 91 91 16019 1 . PRO 92 92 16019 1 . ASN 93 93 16019 1 . GLU 94 94 16019 1 . LYS 95 95 16019 1 . VAL 96 96 16019 1 . GLU 97 97 16019 1 . ARG 98 98 16019 1 . VAL 99 99 16019 1 . LEU 100 100 16019 1 . SER 101 101 16019 1 . LEU 102 102 16019 1 . THR 103 103 16019 1 . ASN 104 104 16019 1 . LEU 105 105 16019 1 . ASP 106 106 16019 1 . ARG 107 107 16019 1 . ILE 108 108 16019 1 . VAL 109 109 16019 1 . LYS 110 110 16019 1 . ILE 111 111 16019 1 . TYR 112 112 16019 1 . ASP 113 113 16019 1 . THR 114 114 16019 1 . ILE 115 115 16019 1 . SER 116 116 16019 1 . GLU 117 117 16019 1 . ALA 118 118 16019 1 . MET 119 119 16019 1 . GLU 120 120 16019 1 . GLU 121 121 16019 1 . VAL 122 122 16019 1 . ARG 123 123 16019 1 . ARG 124 124 16019 1 . LYS 125 125 16019 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 16019 _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 $TM1081 . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 16019 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 16019 _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 $TM1081 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosseta DE3 . . . . . . . . . . . . . . MH4a . . . . . . 16019 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16019 _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 TM1081 '[U-98% 13C; U-98% 15N]' . . 1 $TM1081 . . 1.3 . . mM . . . . 16019 1 2 'sodium azide' 'natural abundance' . . . . . . 0.3 . . % . . . . 16019 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16019 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16019 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16019 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16019 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 16019 _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' 190 . mM 16019 1 pH 6.5 . pH 16019 1 pressure 1 . atm 16019 1 temperature 313 . K 16019 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16019 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16019 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16019 1 'structure solution' 16019 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16019 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16019 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16019 2 'data analysis' 16019 2 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16019 _Software.ID 3 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fiorito, F., Herrmann, T. Damberger, F. Fred, Wuthrich, K.' . . 16019 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16019 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16019 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16019 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16019 4 'data analysis' 16019 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16019 _Software.ID 5 _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' . . 16019 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16019 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16019 _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 16019 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16019 _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 . . . 16019 1 2 spectrometer_2 Bruker Avance . 600 . . . 16019 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 16019 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16019 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16019 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16019 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16019 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 16019 _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 . indirect 0.251449530 . . . . . . . . . 16019 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16019 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16019 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 16019 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 16019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 16019 1 4 '3D HNCA' . . . 16019 1 5 '3D HNCACB' . . . 16019 1 6 '3D 1H-15N NOESY' . . . 16019 1 7 '3D 1H-13C NOESY aromatic' . . . 16019 1 8 '3D 1H-13C NOESY aliphatic' . . . 16019 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 . . 16019 1 3 $ASCAN . . 16019 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 3 3 SER HB2 H 1 4.100 0.025 . 2 . . . . 3 S HB2 . 16019 1 2 . 1 1 3 3 SER HB3 H 1 3.640 0.025 . 2 . . . . 3 S HB3 . 16019 1 3 . 1 1 4 4 ASP H H 1 8.577 0.025 . 1 . . . . 4 D H . 16019 1 4 . 1 1 4 4 ASP HA H 1 4.688 0.025 . 1 . . . . 4 D HA . 16019 1 5 . 1 1 4 4 ASP HB2 H 1 2.773 0.025 . 2 . . . . 4 D QB . 16019 1 6 . 1 1 4 4 ASP HB3 H 1 2.773 0.025 . 2 . . . . 4 D QB . 16019 1 7 . 1 1 4 4 ASP CA C 13 54.292 0.4 . 1 . . . . 4 D CA . 16019 1 8 . 1 1 4 4 ASP CB C 13 41.124 0.4 . 1 . . . . 4 D CB . 16019 1 9 . 1 1 4 4 ASP N N 15 122.517 0.4 . 1 . . . . 4 D N . 16019 1 10 . 1 1 6 6 ILE HA H 1 3.928 0.025 . 1 . . . . 6 I HA . 16019 1 11 . 1 1 6 6 ILE CA C 13 62.200 0.4 . 1 . . . . 6 I CA . 16019 1 12 . 1 1 6 6 ILE CB C 13 38.132 0.4 . 1 . . . . 6 I CB . 16019 1 13 . 1 1 7 7 HIS H H 1 8.395 0.025 . 1 . . . . 7 H H . 16019 1 14 . 1 1 7 7 HIS HA H 1 4.687 0.025 . 1 . . . . 7 H HA . 16019 1 15 . 1 1 7 7 HIS HB2 H 1 3.175 0.025 . 2 . . . . 7 H HB2 . 16019 1 16 . 1 1 7 7 HIS HB3 H 1 4.800 0.025 . 2 . . . . 7 H HB3 . 16019 1 17 . 1 1 7 7 HIS CA C 13 55.294 0.4 . 1 . . . . 7 H CA . 16019 1 18 . 1 1 7 7 HIS CB C 13 29.627 0.4 . 1 . . . . 7 H CB . 16019 1 19 . 1 1 7 7 HIS N N 15 122.356 0.4 . 1 . . . . 7 H N . 16019 1 20 . 1 1 10 10 HIS HB2 H 1 3.350 0.025 . 2 . . . . 10 H HB2 . 16019 1 21 . 1 1 10 10 HIS HB3 H 1 3.210 0.025 . 2 . . . . 10 H HB3 . 16019 1 22 . 1 1 10 10 HIS HD2 H 1 7.243 0.025 . 1 . . . . 10 H HD2 . 16019 1 23 . 1 1 10 10 HIS HE1 H 1 7.867 0.025 . 1 . . . . 10 H HE1 . 16019 1 24 . 1 1 10 10 HIS CB C 13 31.360 0.4 . 1 . . . . 10 H CB . 16019 1 25 . 1 1 10 10 HIS CD2 C 13 119.212 0.4 . 1 . . . . 10 H CD2 . 16019 1 26 . 1 1 10 10 HIS CE1 C 13 137.819 0.4 . 1 . . . . 10 H CE1 . 16019 1 27 . 1 1 11 11 HIS HA H 1 4.578 0.025 . 1 . . . . 11 H HA . 16019 1 28 . 1 1 11 11 HIS HB2 H 1 3.363 0.025 . 2 . . . . 11 H QB . 16019 1 29 . 1 1 11 11 HIS HB3 H 1 3.363 0.025 . 2 . . . . 11 H QB . 16019 1 30 . 1 1 11 11 HIS HD1 H 1 7.383 0.025 . 1 . . . . 11 H HD1 . 16019 1 31 . 1 1 11 11 HIS HE1 H 1 7.199 0.025 . 1 . . . . 11 H HE1 . 16019 1 32 . 1 1 11 11 HIS CA C 13 59.219 0.4 . 1 . . . . 11 H CA . 16019 1 33 . 1 1 11 11 HIS CB C 13 29.226 0.4 . 1 . . . . 11 H CB . 16019 1 34 . 1 1 11 11 HIS CD2 C 13 119.228 0.4 . 1 . . . . 11 H CD2 . 16019 1 35 . 1 1 14 14 PHE H H 1 8.358 0.025 . 1 . . . . 14 F H . 16019 1 36 . 1 1 14 14 PHE HA H 1 4.589 0.025 . 1 . . . . 14 F HA . 16019 1 37 . 1 1 14 14 PHE HB2 H 1 1.910 0.025 . 2 . . . . 14 F HB2 . 16019 1 38 . 1 1 14 14 PHE HB3 H 1 2.180 0.025 . 2 . . . . 14 F HB3 . 16019 1 39 . 1 1 14 14 PHE HD1 H 1 7.168 0.025 . 3 . . . . 14 F HD1 . 16019 1 40 . 1 1 14 14 PHE HE1 H 1 7.396 0.025 . 3 . . . . 14 F HE1 . 16019 1 41 . 1 1 14 14 PHE CA C 13 55.860 0.4 . 1 . . . . 14 F CA . 16019 1 42 . 1 1 14 14 PHE CB C 13 35.320 0.4 . 1 . . . . 14 F CB . 16019 1 43 . 1 1 14 14 PHE CD1 C 13 129.535 0.4 . 3 . . . . 14 F CD1 . 16019 1 44 . 1 1 14 14 PHE CE1 C 13 131.493 0.4 . 3 . . . . 14 F CE1 . 16019 1 45 . 1 1 14 14 PHE N N 15 117.310 0.4 . 1 . . . . 14 F N . 16019 1 46 . 1 1 15 15 PRO HA H 1 4.700 0.025 . 1 . . . . 15 P HA . 16019 1 47 . 1 1 15 15 PRO HB2 H 1 2.520 0.025 . 2 . . . . 15 P HB2 . 16019 1 48 . 1 1 15 15 PRO HB3 H 1 2.119 0.025 . 2 . . . . 15 P HB3 . 16019 1 49 . 1 1 15 15 PRO HD2 H 1 3.858 0.025 . 2 . . . . 15 P HD2 . 16019 1 50 . 1 1 15 15 PRO HD3 H 1 4.114 0.025 . 2 . . . . 15 P HD3 . 16019 1 51 . 1 1 15 15 PRO HG2 H 1 2.101 0.025 . 2 . . . . 15 P HG2 . 16019 1 52 . 1 1 15 15 PRO HG3 H 1 2.301 0.025 . 2 . . . . 15 P HG3 . 16019 1 53 . 1 1 15 15 PRO CA C 13 63.118 0.4 . 1 . . . . 15 P CA . 16019 1 54 . 1 1 15 15 PRO CB C 13 32.509 0.4 . 1 . . . . 15 P CB . 16019 1 55 . 1 1 15 15 PRO CD C 13 50.914 0.4 . 1 . . . . 15 P CD . 16019 1 56 . 1 1 15 15 PRO CG C 13 28.368 0.4 . 1 . . . . 15 P CG . 16019 1 57 . 1 1 16 16 TYR H H 1 7.957 0.025 . 1 . . . . 16 Y H . 16019 1 58 . 1 1 16 16 TYR HA H 1 5.666 0.025 . 1 . . . . 16 Y HA . 16019 1 59 . 1 1 16 16 TYR HB2 H 1 2.862 0.025 . 2 . . . . 16 Y HB2 . 16019 1 60 . 1 1 16 16 TYR HB3 H 1 3.397 0.025 . 2 . . . . 16 Y HB3 . 16019 1 61 . 1 1 16 16 TYR HD1 H 1 7.176 0.025 . 3 . . . . 16 Y QD . 16019 1 62 . 1 1 16 16 TYR HD2 H 1 7.176 0.025 . 3 . . . . 16 Y QD . 16019 1 63 . 1 1 16 16 TYR HE1 H 1 6.682 0.025 . 3 . . . . 16 Y QE . 16019 1 64 . 1 1 16 16 TYR HE2 H 1 6.682 0.025 . 3 . . . . 16 Y QE . 16019 1 65 . 1 1 16 16 TYR CA C 13 56.096 0.4 . 1 . . . . 16 Y CA . 16019 1 66 . 1 1 16 16 TYR CB C 13 42.046 0.4 . 1 . . . . 16 Y CB . 16019 1 67 . 1 1 16 16 TYR CD1 C 13 133.365 0.4 . 3 . . . . 16 Y CD1 . 16019 1 68 . 1 1 16 16 TYR CE1 C 13 118.221 0.4 . 3 . . . . 16 Y CE1 . 16019 1 69 . 1 1 16 16 TYR N N 15 116.090 0.4 . 1 . . . . 16 Y N . 16019 1 70 . 1 1 17 17 LYS H H 1 9.064 0.025 . 1 . . . . 17 K H . 16019 1 71 . 1 1 17 17 LYS HA H 1 4.507 0.025 . 1 . . . . 17 K HA . 16019 1 72 . 1 1 17 17 LYS HB2 H 1 1.699 0.025 . 2 . . . . 17 K HB2 . 16019 1 73 . 1 1 17 17 LYS HB3 H 1 1.781 0.025 . 2 . . . . 17 K HB3 . 16019 1 74 . 1 1 17 17 LYS HD2 H 1 1.663 0.025 . 2 . . . . 17 K QD . 16019 1 75 . 1 1 17 17 LYS HD3 H 1 1.663 0.025 . 2 . . . . 17 K QD . 16019 1 76 . 1 1 17 17 LYS HE2 H 1 2.939 0.025 . 2 . . . . 17 K QE . 16019 1 77 . 1 1 17 17 LYS HE3 H 1 2.939 0.025 . 2 . . . . 17 K QE . 16019 1 78 . 1 1 17 17 LYS HG2 H 1 1.365 0.025 . 2 . . . . 17 K QG . 16019 1 79 . 1 1 17 17 LYS HG3 H 1 1.365 0.025 . 2 . . . . 17 K QG . 16019 1 80 . 1 1 17 17 LYS CA C 13 54.750 0.4 . 1 . . . . 17 K CA . 16019 1 81 . 1 1 17 17 LYS CB C 13 36.729 0.4 . 1 . . . . 17 K CB . 16019 1 82 . 1 1 17 17 LYS CD C 13 29.190 0.4 . 1 . . . . 17 K CD . 16019 1 83 . 1 1 17 17 LYS CE C 13 42.200 0.4 . 1 . . . . 17 K CE . 16019 1 84 . 1 1 17 17 LYS CG C 13 24.621 0.4 . 1 . . . . 17 K CG . 16019 1 85 . 1 1 17 17 LYS N N 15 119.301 0.4 . 1 . . . . 17 K N . 16019 1 86 . 1 1 17 17 LYS NZ N 15 67.949 0.4 . 1 . . . . 17 K NZ . 16019 1 87 . 1 1 18 18 ILE H H 1 8.585 0.025 . 1 . . . . 18 I H . 16019 1 88 . 1 1 18 18 ILE HA H 1 4.980 0.025 . 1 . . . . 18 I HA . 16019 1 89 . 1 1 18 18 ILE HB H 1 1.793 0.025 . 1 . . . . 18 I HB . 16019 1 90 . 1 1 18 18 ILE HG12 H 1 0.899 0.025 . 2 . . . . 18 I QG1 . 16019 1 91 . 1 1 18 18 ILE HG13 H 1 0.899 0.025 . 2 . . . . 18 I QG1 . 16019 1 92 . 1 1 18 18 ILE HG21 H 1 0.785 0.025 . 2 . . . . 18 I QG2 . 16019 1 93 . 1 1 18 18 ILE HG22 H 1 0.785 0.025 . 2 . . . . 18 I QG2 . 16019 1 94 . 1 1 18 18 ILE HG23 H 1 0.785 0.025 . 2 . . . . 18 I QG2 . 16019 1 95 . 1 1 18 18 ILE CA C 13 60.307 0.4 . 1 . . . . 18 I CA . 16019 1 96 . 1 1 18 18 ILE CB C 13 38.786 0.4 . 1 . . . . 18 I CB . 16019 1 97 . 1 1 18 18 ILE CD1 C 13 13.680 0.4 . 1 . . . . 18 I CD1 . 16019 1 98 . 1 1 18 18 ILE CG1 C 13 28.062 0.4 . 1 . . . . 18 I CG1 . 16019 1 99 . 1 1 18 18 ILE CG2 C 13 17.199 0.4 . 1 . . . . 18 I CG2 . 16019 1 100 . 1 1 18 18 ILE N N 15 123.087 0.4 . 1 . . . . 18 I N . 16019 1 101 . 1 1 19 19 VAL H H 1 9.048 0.025 . 1 . . . . 19 V H . 16019 1 102 . 1 1 19 19 VAL HA H 1 4.222 0.025 . 1 . . . . 19 V HA . 16019 1 103 . 1 1 19 19 VAL HB H 1 1.831 0.025 . 1 . . . . 19 V HB . 16019 1 104 . 1 1 19 19 VAL HG11 H 1 0.916 0.025 . 2 . . . . 19 V QG1 . 16019 1 105 . 1 1 19 19 VAL HG12 H 1 0.916 0.025 . 2 . . . . 19 V QG1 . 16019 1 106 . 1 1 19 19 VAL HG13 H 1 0.916 0.025 . 2 . . . . 19 V QG1 . 16019 1 107 . 1 1 19 19 VAL HG21 H 1 0.861 0.025 . 2 . . . . 19 V QG2 . 16019 1 108 . 1 1 19 19 VAL HG22 H 1 0.861 0.025 . 2 . . . . 19 V QG2 . 16019 1 109 . 1 1 19 19 VAL HG23 H 1 0.861 0.025 . 2 . . . . 19 V QG2 . 16019 1 110 . 1 1 19 19 VAL CA C 13 60.994 0.4 . 1 . . . . 19 V CA . 16019 1 111 . 1 1 19 19 VAL CB C 13 33.647 0.4 . 1 . . . . 19 V CB . 16019 1 112 . 1 1 19 19 VAL CG1 C 13 20.717 0.4 . 2 . . . . 19 V CG1 . 16019 1 113 . 1 1 19 19 VAL CG2 C 13 20.717 0.4 . 2 . . . . 19 V CG2 . 16019 1 114 . 1 1 19 19 VAL N N 15 130.001 0.4 . 1 . . . . 19 V N . 16019 1 115 . 1 1 20 20 ASP H H 1 9.004 0.025 . 1 . . . . 20 D H . 16019 1 116 . 1 1 20 20 ASP HA H 1 4.181 0.025 . 1 . . . . 20 D HA . 16019 1 117 . 1 1 20 20 ASP HB2 H 1 2.908 0.025 . 2 . . . . 20 D QB . 16019 1 118 . 1 1 20 20 ASP HB3 H 1 2.908 0.025 . 2 . . . . 20 D QB . 16019 1 119 . 1 1 20 20 ASP CA C 13 56.430 0.4 . 1 . . . . 20 D CA . 16019 1 120 . 1 1 20 20 ASP CB C 13 38.985 0.4 . 1 . . . . 20 D CB . 16019 1 121 . 1 1 20 20 ASP N N 15 125.762 0.4 . 1 . . . . 20 D N . 16019 1 122 . 1 1 21 21 ASP H H 1 8.482 0.025 . 1 . . . . 21 D H . 16019 1 123 . 1 1 21 21 ASP HA H 1 4.588 0.025 . 1 . . . . 21 D HA . 16019 1 124 . 1 1 21 21 ASP HB2 H 1 3.087 0.025 . 2 . . . . 21 D HB2 . 16019 1 125 . 1 1 21 21 ASP HB3 H 1 2.817 0.025 . 2 . . . . 21 D HB3 . 16019 1 126 . 1 1 21 21 ASP CA C 13 54.041 0.4 . 1 . . . . 21 D CA . 16019 1 127 . 1 1 21 21 ASP CB C 13 39.956 0.4 . 1 . . . . 21 D CB . 16019 1 128 . 1 1 21 21 ASP N N 15 117.082 0.4 . 1 . . . . 21 D N . 16019 1 129 . 1 1 22 22 VAL H H 1 8.285 0.025 . 1 . . . . 22 V H . 16019 1 130 . 1 1 22 22 VAL HA H 1 4.240 0.025 . 1 . . . . 22 V HA . 16019 1 131 . 1 1 22 22 VAL HB H 1 1.984 0.025 . 1 . . . . 22 V HB . 16019 1 132 . 1 1 22 22 VAL HG11 H 1 -0.045 0.025 . 2 . . . . 22 V QG1 . 16019 1 133 . 1 1 22 22 VAL HG12 H 1 -0.045 0.025 . 2 . . . . 22 V QG1 . 16019 1 134 . 1 1 22 22 VAL HG13 H 1 -0.045 0.025 . 2 . . . . 22 V QG1 . 16019 1 135 . 1 1 22 22 VAL HG21 H 1 0.772 0.025 . 2 . . . . 22 V QG2 . 16019 1 136 . 1 1 22 22 VAL HG22 H 1 0.772 0.025 . 2 . . . . 22 V QG2 . 16019 1 137 . 1 1 22 22 VAL HG23 H 1 0.772 0.025 . 2 . . . . 22 V QG2 . 16019 1 138 . 1 1 22 22 VAL CA C 13 61.444 0.4 . 1 . . . . 22 V CA . 16019 1 139 . 1 1 22 22 VAL CB C 13 33.324 0.4 . 1 . . . . 22 V CB . 16019 1 140 . 1 1 22 22 VAL CG1 C 13 20.380 0.4 . 2 . . . . 22 V CG1 . 16019 1 141 . 1 1 22 22 VAL CG2 C 13 21.738 0.4 . 2 . . . . 22 V CG2 . 16019 1 142 . 1 1 22 22 VAL N N 15 120.862 0.4 . 1 . . . . 22 V N . 16019 1 143 . 1 1 23 23 VAL H H 1 8.361 0.025 . 1 . . . . 23 V H . 16019 1 144 . 1 1 23 23 VAL HA H 1 4.005 0.025 . 1 . . . . 23 V HA . 16019 1 145 . 1 1 23 23 VAL HB H 1 1.706 0.025 . 1 . . . . 23 V HB . 16019 1 146 . 1 1 23 23 VAL HG11 H 1 -0.268 0.025 . 2 . . . . 23 V QG1 . 16019 1 147 . 1 1 23 23 VAL HG12 H 1 -0.268 0.025 . 2 . . . . 23 V QG1 . 16019 1 148 . 1 1 23 23 VAL HG13 H 1 -0.268 0.025 . 2 . . . . 23 V QG1 . 16019 1 149 . 1 1 23 23 VAL HG21 H 1 0.365 0.025 . 2 . . . . 23 V QG2 . 16019 1 150 . 1 1 23 23 VAL HG22 H 1 0.365 0.025 . 2 . . . . 23 V QG2 . 16019 1 151 . 1 1 23 23 VAL HG23 H 1 0.365 0.025 . 2 . . . . 23 V QG2 . 16019 1 152 . 1 1 23 23 VAL CA C 13 61.377 0.4 . 1 . . . . 23 V CA . 16019 1 153 . 1 1 23 23 VAL CB C 13 32.480 0.4 . 1 . . . . 23 V CB . 16019 1 154 . 1 1 23 23 VAL CG1 C 13 20.326 0.4 . 2 . . . . 23 V CG1 . 16019 1 155 . 1 1 23 23 VAL CG2 C 13 21.457 0.4 . 2 . . . . 23 V CG2 . 16019 1 156 . 1 1 23 23 VAL N N 15 125.703 0.4 . 1 . . . . 23 V N . 16019 1 157 . 1 1 24 24 ILE H H 1 9.282 0.025 . 1 . . . . 24 I H . 16019 1 158 . 1 1 24 24 ILE HA H 1 4.643 0.025 . 1 . . . . 24 I HA . 16019 1 159 . 1 1 24 24 ILE HB H 1 2.018 0.025 . 1 . . . . 24 I HB . 16019 1 160 . 1 1 24 24 ILE HD11 H 1 0.805 0.025 . 2 . . . . 24 I QD1 . 16019 1 161 . 1 1 24 24 ILE HD12 H 1 0.805 0.025 . 2 . . . . 24 I QD1 . 16019 1 162 . 1 1 24 24 ILE HD13 H 1 0.805 0.025 . 2 . . . . 24 I QD1 . 16019 1 163 . 1 1 24 24 ILE HG12 H 1 1.556 0.025 . 2 . . . . 24 I QG1 . 16019 1 164 . 1 1 24 24 ILE HG13 H 1 1.556 0.025 . 2 . . . . 24 I QG1 . 16019 1 165 . 1 1 24 24 ILE HG21 H 1 0.941 0.025 . 2 . . . . 24 I QG2 . 16019 1 166 . 1 1 24 24 ILE HG22 H 1 0.941 0.025 . 2 . . . . 24 I QG2 . 16019 1 167 . 1 1 24 24 ILE HG23 H 1 0.941 0.025 . 2 . . . . 24 I QG2 . 16019 1 168 . 1 1 24 24 ILE CA C 13 60.135 0.4 . 1 . . . . 24 I CA . 16019 1 169 . 1 1 24 24 ILE CB C 13 37.921 0.4 . 1 . . . . 24 I CB . 16019 1 170 . 1 1 24 24 ILE CD1 C 13 13.803 0.4 . 1 . . . . 24 I CD1 . 16019 1 171 . 1 1 24 24 ILE CG1 C 13 27.753 0.4 . 1 . . . . 24 I CG1 . 16019 1 172 . 1 1 24 24 ILE CG2 C 13 19.099 0.4 . 1 . . . . 24 I CG2 . 16019 1 173 . 1 1 24 24 ILE N N 15 127.998 0.4 . 1 . . . . 24 I N . 16019 1 174 . 1 1 25 25 LEU H H 1 9.224 0.025 . 1 . . . . 25 L H . 16019 1 175 . 1 1 25 25 LEU HA H 1 4.847 0.025 . 1 . . . . 25 L HA . 16019 1 176 . 1 1 25 25 LEU HB2 H 1 1.540 0.025 . 2 . . . . 25 L HB2 . 16019 1 177 . 1 1 25 25 LEU HB3 H 1 2.350 0.025 . 2 . . . . 25 L HB3 . 16019 1 178 . 1 1 25 25 LEU HD11 H 1 0.948 0.025 . 2 . . . . 25 L QD1 . 16019 1 179 . 1 1 25 25 LEU HD12 H 1 0.948 0.025 . 2 . . . . 25 L QD1 . 16019 1 180 . 1 1 25 25 LEU HD13 H 1 0.948 0.025 . 2 . . . . 25 L QD1 . 16019 1 181 . 1 1 25 25 LEU HD21 H 1 0.568 0.025 . 2 . . . . 25 L QD2 . 16019 1 182 . 1 1 25 25 LEU HD22 H 1 0.568 0.025 . 2 . . . . 25 L QD2 . 16019 1 183 . 1 1 25 25 LEU HD23 H 1 0.568 0.025 . 2 . . . . 25 L QD2 . 16019 1 184 . 1 1 25 25 LEU HG H 1 1.715 0.025 . 1 . . . . 25 L HG . 16019 1 185 . 1 1 25 25 LEU CA C 13 54.292 0.4 . 1 . . . . 25 L CA . 16019 1 186 . 1 1 25 25 LEU CB C 13 44.600 0.4 . 1 . . . . 25 L CB . 16019 1 187 . 1 1 25 25 LEU CD1 C 13 27.190 0.4 . 2 . . . . 25 L CD1 . 16019 1 188 . 1 1 25 25 LEU CD2 C 13 24.283 0.4 . 2 . . . . 25 L CD2 . 16019 1 189 . 1 1 25 25 LEU CG C 13 26.518 0.4 . 1 . . . . 25 L CG . 16019 1 190 . 1 1 25 25 LEU N N 15 125.762 0.4 . 1 . . . . 25 L N . 16019 1 191 . 1 1 26 26 MET H H 1 8.744 0.025 . 1 . . . . 26 M H . 16019 1 192 . 1 1 26 26 MET HA H 1 5.106 0.025 . 1 . . . . 26 M HA . 16019 1 193 . 1 1 26 26 MET HB2 H 1 2.277 0.025 . 2 . . . . 26 M HB2 . 16019 1 194 . 1 1 26 26 MET HB3 H 1 1.867 0.025 . 2 . . . . 26 M HB3 . 16019 1 195 . 1 1 26 26 MET HE1 H 1 2.047 0.025 . 2 . . . . 26 M HE . 16019 1 196 . 1 1 26 26 MET HE2 H 1 2.047 0.025 . 2 . . . . 26 M HE . 16019 1 197 . 1 1 26 26 MET HE3 H 1 2.047 0.025 . 2 . . . . 26 M HE . 16019 1 198 . 1 1 26 26 MET HG2 H 1 2.385 0.025 . 2 . . . . 26 M QG . 16019 1 199 . 1 1 26 26 MET HG3 H 1 2.385 0.025 . 2 . . . . 26 M QG . 16019 1 200 . 1 1 26 26 MET CA C 13 53.011 0.4 . 1 . . . . 26 M CA . 16019 1 201 . 1 1 26 26 MET CB C 13 34.133 0.4 . 1 . . . . 26 M CB . 16019 1 202 . 1 1 26 26 MET CE C 13 16.700 0.4 . 1 . . . . 26 M CE . 16019 1 203 . 1 1 26 26 MET CG C 13 31.649 0.4 . 1 . . . . 26 M CG . 16019 1 204 . 1 1 26 26 MET N N 15 120.748 0.4 . 1 . . . . 26 M N . 16019 1 205 . 1 1 27 27 PRO HA H 1 3.803 0.025 . 1 . . . . 27 P HA . 16019 1 206 . 1 1 27 27 PRO HB2 H 1 1.375 0.025 . 2 . . . . 27 P HB2 . 16019 1 207 . 1 1 27 27 PRO HB3 H 1 1.052 0.025 . 2 . . . . 27 P HB3 . 16019 1 208 . 1 1 27 27 PRO HD2 H 1 3.209 0.025 . 2 . . . . 27 P HD2 . 16019 1 209 . 1 1 27 27 PRO HD3 H 1 4.184 0.025 . 2 . . . . 27 P HD3 . 16019 1 210 . 1 1 27 27 PRO HG2 H 1 1.375 0.025 . 2 . . . . 27 P HG2 . 16019 1 211 . 1 1 27 27 PRO HG3 H 1 1.784 0.025 . 2 . . . . 27 P HG3 . 16019 1 212 . 1 1 27 27 PRO CA C 13 63.394 0.4 . 1 . . . . 27 P CA . 16019 1 213 . 1 1 27 27 PRO CB C 13 30.673 0.4 . 1 . . . . 27 P CB . 16019 1 214 . 1 1 27 27 PRO CD C 13 49.560 0.4 . 1 . . . . 27 P CD . 16019 1 215 . 1 1 27 27 PRO CG C 13 28.176 0.4 . 1 . . . . 27 P CG . 16019 1 216 . 1 1 28 28 ASN H H 1 9.190 0.025 . 1 . . . . 28 N H . 16019 1 217 . 1 1 28 28 ASN HA H 1 5.187 0.025 . 1 . . . . 28 N HA . 16019 1 218 . 1 1 28 28 ASN HB2 H 1 2.913 0.025 . 2 . . . . 28 N HB2 . 16019 1 219 . 1 1 28 28 ASN HB3 H 1 3.149 0.025 . 2 . . . . 28 N HB3 . 16019 1 220 . 1 1 28 28 ASN HD21 H 1 6.832 0.025 . 2 . . . . 28 N HD21 . 16019 1 221 . 1 1 28 28 ASN HD22 H 1 7.567 0.025 . 2 . . . . 28 N HD22 . 16019 1 222 . 1 1 28 28 ASN CA C 13 52.019 0.4 . 1 . . . . 28 N CA . 16019 1 223 . 1 1 28 28 ASN CB C 13 40.723 0.4 . 1 . . . . 28 N CB . 16019 1 224 . 1 1 28 28 ASN N N 15 119.590 0.4 . 1 . . . . 28 N N . 16019 1 225 . 1 1 28 28 ASN ND2 N 15 112.062 0.4 . 1 . . . . 28 N ND2 . 16019 1 226 . 1 1 29 29 LYS H H 1 9.197 0.025 . 1 . . . . 29 K H . 16019 1 227 . 1 1 29 29 LYS HA H 1 3.675 0.025 . 1 . . . . 29 K HA . 16019 1 228 . 1 1 29 29 LYS HD2 H 1 1.803 0.025 . 2 . . . . 29 K QD . 16019 1 229 . 1 1 29 29 LYS HD3 H 1 1.803 0.025 . 2 . . . . 29 K QD . 16019 1 230 . 1 1 29 29 LYS HE2 H 1 2.743 0.025 . 2 . . . . 29 K HE2 . 16019 1 231 . 1 1 29 29 LYS HE3 H 1 2.825 0.025 . 2 . . . . 29 K HE3 . 16019 1 232 . 1 1 29 29 LYS HG2 H 1 1.455 0.025 . 2 . . . . 29 K QG . 16019 1 233 . 1 1 29 29 LYS HG3 H 1 1.455 0.025 . 2 . . . . 29 K QG . 16019 1 234 . 1 1 29 29 LYS CD C 13 29.898 0.4 . 1 . . . . 29 K CD . 16019 1 235 . 1 1 29 29 LYS CE C 13 42.024 0.4 . 1 . . . . 29 K CE . 16019 1 236 . 1 1 29 29 LYS CG C 13 25.439 0.4 . 1 . . . . 29 K CG . 16019 1 237 . 1 1 29 29 LYS N N 15 119.622 0.4 . 1 . . . . 29 K N . 16019 1 238 . 1 1 30 30 GLU H H 1 8.390 0.025 . 1 . . . . 30 E H . 16019 1 239 . 1 1 30 30 GLU HA H 1 4.523 0.025 . 1 . . . . 30 E HA . 16019 1 240 . 1 1 30 30 GLU HB2 H 1 2.061 0.025 . 2 . . . . 30 E HB2 . 16019 1 241 . 1 1 30 30 GLU HG2 H 1 2.260 0.025 . 2 . . . . 30 E HG2 . 16019 1 242 . 1 1 30 30 GLU HG3 H 1 2.337 0.025 . 2 . . . . 30 E HG3 . 16019 1 243 . 1 1 30 30 GLU CA C 13 56.488 0.4 . 1 . . . . 30 E CA . 16019 1 244 . 1 1 30 30 GLU CB C 13 30.866 0.4 . 1 . . . . 30 E CB . 16019 1 245 . 1 1 30 30 GLU CG C 13 36.471 0.4 . 1 . . . . 30 E CG . 16019 1 246 . 1 1 31 31 LEU HA H 1 5.033 0.025 . 1 . . . . 31 L HA . 16019 1 247 . 1 1 31 31 LEU HB2 H 1 1.633 0.025 . 2 . . . . 31 L HB2 . 16019 1 248 . 1 1 31 31 LEU HB3 H 1 1.551 0.025 . 2 . . . . 31 L HB3 . 16019 1 249 . 1 1 31 31 LEU HD11 H 1 0.522 0.025 . 2 . . . . 31 L QD1 . 16019 1 250 . 1 1 31 31 LEU HD12 H 1 0.522 0.025 . 2 . . . . 31 L QD1 . 16019 1 251 . 1 1 31 31 LEU HD13 H 1 0.522 0.025 . 2 . . . . 31 L QD1 . 16019 1 252 . 1 1 31 31 LEU HD21 H 1 0.573 0.025 . 2 . . . . 31 L QD2 . 16019 1 253 . 1 1 31 31 LEU HD22 H 1 0.573 0.025 . 2 . . . . 31 L QD2 . 16019 1 254 . 1 1 31 31 LEU HD23 H 1 0.573 0.025 . 2 . . . . 31 L QD2 . 16019 1 255 . 1 1 31 31 LEU HG H 1 1.641 0.025 . 1 . . . . 31 L HG . 16019 1 256 . 1 1 31 31 LEU CA C 13 53.475 0.4 . 1 . . . . 31 L CA . 16019 1 257 . 1 1 31 31 LEU CB C 13 42.940 0.4 . 1 . . . . 31 L CB . 16019 1 258 . 1 1 31 31 LEU CD1 C 13 24.926 0.4 . 2 . . . . 31 L CD1 . 16019 1 259 . 1 1 31 31 LEU CD2 C 13 23.568 0.4 . 2 . . . . 31 L CD2 . 16019 1 260 . 1 1 31 31 LEU CG C 13 26.875 0.4 . 1 . . . . 31 L CG . 16019 1 261 . 1 1 32 32 ASN HA H 1 4.920 0.025 . 1 . . . . 32 N HA . 16019 1 262 . 1 1 32 32 ASN HB2 H 1 3.263 0.025 . 2 . . . . 32 N HB2 . 16019 1 263 . 1 1 32 32 ASN HB3 H 1 2.961 0.025 . 2 . . . . 32 N HB3 . 16019 1 264 . 1 1 32 32 ASN HD21 H 1 7.022 0.025 . 2 . . . . 32 N HD21 . 16019 1 265 . 1 1 32 32 ASN HD22 H 1 7.790 0.025 . 2 . . . . 32 N HD22 . 16019 1 266 . 1 1 32 32 ASN CA C 13 51.900 0.4 . 1 . . . . 32 N CA . 16019 1 267 . 1 1 32 32 ASN CB C 13 38.404 0.4 . 1 . . . . 32 N CB . 16019 1 268 . 1 1 32 32 ASN ND2 N 15 110.604 0.4 . 1 . . . . 32 N ND2 . 16019 1 269 . 1 1 33 33 ILE HA H 1 4.050 0.025 . 1 . . . . 33 I HA . 16019 1 270 . 1 1 33 33 ILE HD11 H 1 0.527 0.025 . 2 . . . . 33 I QD1 . 16019 1 271 . 1 1 33 33 ILE HD12 H 1 0.527 0.025 . 2 . . . . 33 I QD1 . 16019 1 272 . 1 1 33 33 ILE HD13 H 1 0.527 0.025 . 2 . . . . 33 I QD1 . 16019 1 273 . 1 1 33 33 ILE HG12 H 1 1.783 0.025 . 2 . . . . 33 I QG1 . 16019 1 274 . 1 1 33 33 ILE HG13 H 1 1.783 0.025 . 2 . . . . 33 I QG1 . 16019 1 275 . 1 1 33 33 ILE HG21 H 1 0.890 0.025 . 2 . . . . 33 I QG2 . 16019 1 276 . 1 1 33 33 ILE HG22 H 1 0.890 0.025 . 2 . . . . 33 I QG2 . 16019 1 277 . 1 1 33 33 ILE HG23 H 1 0.890 0.025 . 2 . . . . 33 I QG2 . 16019 1 278 . 1 1 33 33 ILE CA C 13 63.110 0.4 . 1 . . . . 33 I CA . 16019 1 279 . 1 1 33 33 ILE CD1 C 13 13.762 0.4 . 1 . . . . 33 I CD1 . 16019 1 280 . 1 1 33 33 ILE CG1 C 13 28.174 0.4 . 1 . . . . 33 I CG1 . 16019 1 281 . 1 1 33 33 ILE CG2 C 13 16.624 0.4 . 1 . . . . 33 I CG2 . 16019 1 282 . 1 1 34 34 GLU H H 1 8.025 0.025 . 1 . . . . 34 E H . 16019 1 283 . 1 1 34 34 GLU HA H 1 4.308 0.025 . 1 . . . . 34 E HA . 16019 1 284 . 1 1 34 34 GLU HB2 H 1 2.152 0.025 . 2 . . . . 34 E QB . 16019 1 285 . 1 1 34 34 GLU HB3 H 1 2.152 0.025 . 2 . . . . 34 E QB . 16019 1 286 . 1 1 34 34 GLU HG2 H 1 2.300 0.025 . 2 . . . . 34 E HG2 . 16019 1 287 . 1 1 34 34 GLU HG3 H 1 2.368 0.025 . 2 . . . . 34 E HG3 . 16019 1 288 . 1 1 34 34 GLU CA C 13 58.540 0.4 . 1 . . . . 34 E CA . 16019 1 289 . 1 1 34 34 GLU CB C 13 29.620 0.4 . 1 . . . . 34 E CB . 16019 1 290 . 1 1 34 34 GLU CG C 13 36.696 0.4 . 1 . . . . 34 E CG . 16019 1 291 . 1 1 34 34 GLU N N 15 119.961 0.4 . 1 . . . . 34 E N . 16019 1 292 . 1 1 35 35 ASN H H 1 8.182 0.025 . 1 . . . . 35 N H . 16019 1 293 . 1 1 35 35 ASN HA H 1 5.050 0.025 . 1 . . . . 35 N HA . 16019 1 294 . 1 1 35 35 ASN HB2 H 1 2.933 0.025 . 2 . . . . 35 N HB2 . 16019 1 295 . 1 1 35 35 ASN HB3 H 1 3.172 0.025 . 2 . . . . 35 N HB3 . 16019 1 296 . 1 1 35 35 ASN HD21 H 1 7.645 0.025 . 2 . . . . 35 N HD21 . 16019 1 297 . 1 1 35 35 ASN HD22 H 1 7.382 0.025 . 2 . . . . 35 N HD22 . 16019 1 298 . 1 1 35 35 ASN CA C 13 52.353 0.4 . 1 . . . . 35 N CA . 16019 1 299 . 1 1 35 35 ASN CB C 13 39.586 0.4 . 1 . . . . 35 N CB . 16019 1 300 . 1 1 35 35 ASN N N 15 114.624 0.4 . 1 . . . . 35 N N . 16019 1 301 . 1 1 35 35 ASN ND2 N 15 107.658 0.4 . 1 . . . . 35 N ND2 . 16019 1 302 . 1 1 36 36 ALA H H 1 9.069 0.025 . 1 . . . . 36 A H . 16019 1 303 . 1 1 36 36 ALA HA H 1 4.263 0.025 . 1 . . . . 36 A HA . 16019 1 304 . 1 1 36 36 ALA HB1 H 1 1.707 0.025 . 2 . . . . 36 A QB . 16019 1 305 . 1 1 36 36 ALA HB2 H 1 1.707 0.025 . 2 . . . . 36 A QB . 16019 1 306 . 1 1 36 36 ALA HB3 H 1 1.707 0.025 . 2 . . . . 36 A QB . 16019 1 307 . 1 1 36 36 ALA CA C 13 56.351 0.4 . 1 . . . . 36 A CA . 16019 1 308 . 1 1 36 36 ALA CB C 13 18.665 0.4 . 1 . . . . 36 A CB . 16019 1 309 . 1 1 36 36 ALA N N 15 125.937 0.4 . 1 . . . . 36 A N . 16019 1 310 . 1 1 37 37 HIS H H 1 8.970 0.025 . 1 . . . . 37 H H . 16019 1 311 . 1 1 37 37 HIS CA C 13 59.307 0.4 . 1 . . . . 37 H CA . 16019 1 312 . 1 1 37 37 HIS N N 15 116.276 0.4 . 1 . . . . 37 H N . 16019 1 313 . 1 1 38 38 LEU H H 1 7.393 0.025 . 1 . . . . 38 L H . 16019 1 314 . 1 1 38 38 LEU HA H 1 4.193 0.025 . 1 . . . . 38 L HA . 16019 1 315 . 1 1 38 38 LEU HB2 H 1 1.872 0.025 . 2 . . . . 38 L HB2 . 16019 1 316 . 1 1 38 38 LEU HB3 H 1 1.647 0.025 . 2 . . . . 38 L HB3 . 16019 1 317 . 1 1 38 38 LEU HD11 H 1 1.014 0.025 . 2 . . . . 38 L QD1 . 16019 1 318 . 1 1 38 38 LEU HD12 H 1 1.014 0.025 . 2 . . . . 38 L QD1 . 16019 1 319 . 1 1 38 38 LEU HD13 H 1 1.014 0.025 . 2 . . . . 38 L QD1 . 16019 1 320 . 1 1 38 38 LEU HD21 H 1 0.923 0.025 . 2 . . . . 38 L QD2 . 16019 1 321 . 1 1 38 38 LEU HD22 H 1 0.923 0.025 . 2 . . . . 38 L QD2 . 16019 1 322 . 1 1 38 38 LEU HD23 H 1 0.923 0.025 . 2 . . . . 38 L QD2 . 16019 1 323 . 1 1 38 38 LEU HG H 1 1.424 0.025 . 1 . . . . 38 L HG . 16019 1 324 . 1 1 38 38 LEU CA C 13 57.366 0.4 . 1 . . . . 38 L CA . 16019 1 325 . 1 1 38 38 LEU CB C 13 41.257 0.4 . 1 . . . . 38 L CB . 16019 1 326 . 1 1 38 38 LEU CD1 C 13 25.248 0.4 . 2 . . . . 38 L CD1 . 16019 1 327 . 1 1 38 38 LEU CD2 C 13 22.873 0.4 . 2 . . . . 38 L CD2 . 16019 1 328 . 1 1 38 38 LEU CG C 13 26.794 0.4 . 1 . . . . 38 L CG . 16019 1 329 . 1 1 38 38 LEU N N 15 121.742 0.4 . 1 . . . . 38 L N . 16019 1 330 . 1 1 39 39 PHE H H 1 8.293 0.025 . 1 . . . . 39 F H . 16019 1 331 . 1 1 39 39 PHE HA H 1 4.873 0.025 . 1 . . . . 39 F HA . 16019 1 332 . 1 1 39 39 PHE HB2 H 1 3.335 0.025 . 2 . . . . 39 F HB2 . 16019 1 333 . 1 1 39 39 PHE HB3 H 1 3.483 0.025 . 2 . . . . 39 F HB3 . 16019 1 334 . 1 1 39 39 PHE HD1 H 1 7.492 0.025 . 3 . . . . 39 F QD . 16019 1 335 . 1 1 39 39 PHE HD2 H 1 7.492 0.025 . 3 . . . . 39 F QD . 16019 1 336 . 1 1 39 39 PHE HE1 H 1 7.280 0.025 . 3 . . . . 39 F QE . 16019 1 337 . 1 1 39 39 PHE HE2 H 1 7.280 0.025 . 3 . . . . 39 F QE . 16019 1 338 . 1 1 39 39 PHE CA C 13 61.640 0.4 . 1 . . . . 39 F CA . 16019 1 339 . 1 1 39 39 PHE CB C 13 39.330 0.4 . 1 . . . . 39 F CB . 16019 1 340 . 1 1 39 39 PHE CD1 C 13 132.262 0.4 . 3 . . . . 39 F CD1 . 16019 1 341 . 1 1 39 39 PHE CE1 C 13 130.070 0.4 . 3 . . . . 39 F CE1 . 16019 1 342 . 1 1 39 39 PHE N N 15 128.820 0.4 . 1 . . . . 39 F N . 16019 1 343 . 1 1 40 40 LYS H H 1 8.553 0.025 . 1 . . . . 40 K H . 16019 1 344 . 1 1 40 40 LYS HA H 1 3.691 0.025 . 1 . . . . 40 K HA . 16019 1 345 . 1 1 40 40 LYS HB2 H 1 2.104 0.025 . 2 . . . . 40 K HB2 . 16019 1 346 . 1 1 40 40 LYS HB3 H 1 2.155 0.025 . 2 . . . . 40 K HB3 . 16019 1 347 . 1 1 40 40 LYS HG2 H 1 1.452 0.025 . 2 . . . . 40 K QG . 16019 1 348 . 1 1 40 40 LYS HG3 H 1 1.452 0.025 . 2 . . . . 40 K QG . 16019 1 349 . 1 1 40 40 LYS CA C 13 60.440 0.4 . 1 . . . . 40 K CA . 16019 1 350 . 1 1 40 40 LYS CB C 13 32.698 0.4 . 1 . . . . 40 K CB . 16019 1 351 . 1 1 40 40 LYS CD C 13 21.596 0.4 . 1 . . . . 40 K CD . 16019 1 352 . 1 1 40 40 LYS CG C 13 25.393 0.4 . 1 . . . . 40 K CG . 16019 1 353 . 1 1 40 40 LYS N N 15 119.038 0.4 . 1 . . . . 40 K N . 16019 1 354 . 1 1 40 40 LYS NZ N 15 61.227 0.4 . 1 . . . . 40 K NZ . 16019 1 355 . 1 1 41 41 LYS H H 1 7.878 0.025 . 1 . . . . 41 K H . 16019 1 356 . 1 1 41 41 LYS HA H 1 4.110 0.025 . 1 . . . . 41 K HA . 16019 1 357 . 1 1 41 41 LYS HB2 H 1 1.952 0.025 . 2 . . . . 41 K HB2 . 16019 1 358 . 1 1 41 41 LYS HB3 H 1 2.052 0.025 . 2 . . . . 41 K HB3 . 16019 1 359 . 1 1 41 41 LYS HG2 H 1 1.617 0.025 . 2 . . . . 41 K HG2 . 16019 1 360 . 1 1 41 41 LYS HG3 H 1 1.557 0.025 . 2 . . . . 41 K HG3 . 16019 1 361 . 1 1 41 41 LYS CA C 13 59.571 0.4 . 1 . . . . 41 K CA . 16019 1 362 . 1 1 41 41 LYS CB C 13 32.801 0.4 . 1 . . . . 41 K CB . 16019 1 363 . 1 1 41 41 LYS CG C 13 24.818 0.4 . 1 . . . . 41 K CG . 16019 1 364 . 1 1 41 41 LYS N N 15 117.678 0.4 . 1 . . . . 41 K N . 16019 1 365 . 1 1 42 42 TRP H H 1 8.262 0.025 . 1 . . . . 42 W H . 16019 1 366 . 1 1 42 42 TRP HA H 1 4.602 0.025 . 1 . . . . 42 W HA . 16019 1 367 . 1 1 42 42 TRP HB2 H 1 3.756 0.025 . 2 . . . . 42 W HB2 . 16019 1 368 . 1 1 42 42 TRP HB3 H 1 3.430 0.025 . 2 . . . . 42 W HB3 . 16019 1 369 . 1 1 42 42 TRP HD1 H 1 7.542 0.025 . 1 . . . . 42 W HD1 . 16019 1 370 . 1 1 42 42 TRP HE3 H 1 7.724 0.025 . 1 . . . . 42 W HE3 . 16019 1 371 . 1 1 42 42 TRP HH2 H 1 7.367 0.025 . 1 . . . . 42 W HH2 . 16019 1 372 . 1 1 42 42 TRP HZ2 H 1 7.816 0.025 . 1 . . . . 42 W HZ2 . 16019 1 373 . 1 1 42 42 TRP HZ3 H 1 7.199 0.025 . 1 . . . . 42 W HZ3 . 16019 1 374 . 1 1 42 42 TRP CA C 13 61.152 0.4 . 1 . . . . 42 W CA . 16019 1 375 . 1 1 42 42 TRP CB C 13 28.193 0.4 . 1 . . . . 42 W CB . 16019 1 376 . 1 1 42 42 TRP CD1 C 13 127.863 0.4 . 1 . . . . 42 W CD1 . 16019 1 377 . 1 1 42 42 TRP CE3 C 13 121.355 0.4 . 1 . . . . 42 W CE3 . 16019 1 378 . 1 1 42 42 TRP CH2 C 13 125.086 0.4 . 1 . . . . 42 W CH2 . 16019 1 379 . 1 1 42 42 TRP CZ2 C 13 115.155 0.4 . 1 . . . . 42 W CZ2 . 16019 1 380 . 1 1 42 42 TRP CZ3 C 13 121.208 0.4 . 1 . . . . 42 W CZ3 . 16019 1 381 . 1 1 42 42 TRP N N 15 119.798 0.4 . 1 . . . . 42 W N . 16019 1 382 . 1 1 43 43 VAL H H 1 8.236 0.025 . 1 . . . . 43 V H . 16019 1 383 . 1 1 43 43 VAL HA H 1 3.279 0.025 . 1 . . . . 43 V HA . 16019 1 384 . 1 1 43 43 VAL HB H 1 1.945 0.025 . 1 . . . . 43 V HB . 16019 1 385 . 1 1 43 43 VAL HG11 H 1 0.709 0.025 . 2 . . . . 43 V QG1 . 16019 1 386 . 1 1 43 43 VAL HG12 H 1 0.709 0.025 . 2 . . . . 43 V QG1 . 16019 1 387 . 1 1 43 43 VAL HG13 H 1 0.709 0.025 . 2 . . . . 43 V QG1 . 16019 1 388 . 1 1 43 43 VAL HG21 H 1 0.605 0.025 . 2 . . . . 43 V QG2 . 16019 1 389 . 1 1 43 43 VAL HG22 H 1 0.605 0.025 . 2 . . . . 43 V QG2 . 16019 1 390 . 1 1 43 43 VAL HG23 H 1 0.605 0.025 . 2 . . . . 43 V QG2 . 16019 1 391 . 1 1 43 43 VAL CA C 13 65.855 0.4 . 1 . . . . 43 V CA . 16019 1 392 . 1 1 43 43 VAL CB C 13 31.365 0.4 . 1 . . . . 43 V CB . 16019 1 393 . 1 1 43 43 VAL CG1 C 13 21.445 0.4 . 2 . . . . 43 V CG1 . 16019 1 394 . 1 1 43 43 VAL CG2 C 13 23.808 0.4 . 2 . . . . 43 V CG2 . 16019 1 395 . 1 1 43 43 VAL N N 15 115.953 0.4 . 1 . . . . 43 V N . 16019 1 396 . 1 1 44 44 PHE H H 1 8.475 0.025 . 1 . . . . 44 F H . 16019 1 397 . 1 1 44 44 PHE HA H 1 4.070 0.025 . 1 . . . . 44 F HA . 16019 1 398 . 1 1 44 44 PHE HB2 H 1 3.284 0.025 . 2 . . . . 44 F HB2 . 16019 1 399 . 1 1 44 44 PHE HB3 H 1 3.087 0.025 . 2 . . . . 44 F HB3 . 16019 1 400 . 1 1 44 44 PHE HD1 H 1 7.541 0.025 . 3 . . . . 44 F QD . 16019 1 401 . 1 1 44 44 PHE HD2 H 1 7.541 0.025 . 3 . . . . 44 F QD . 16019 1 402 . 1 1 44 44 PHE HE1 H 1 7.261 0.025 . 3 . . . . 44 F QE . 16019 1 403 . 1 1 44 44 PHE HE2 H 1 7.261 0.025 . 3 . . . . 44 F QE . 16019 1 404 . 1 1 44 44 PHE CA C 13 62.574 0.4 . 1 . . . . 44 F CA . 16019 1 405 . 1 1 44 44 PHE CB C 13 38.389 0.4 . 1 . . . . 44 F CB . 16019 1 406 . 1 1 44 44 PHE CD1 C 13 131.893 0.4 . 3 . . . . 44 F CD1 . 16019 1 407 . 1 1 44 44 PHE CE1 C 13 131.571 0.4 . 3 . . . . 44 F CE1 . 16019 1 408 . 1 1 44 44 PHE N N 15 119.438 0.4 . 1 . . . . 44 F N . 16019 1 409 . 1 1 45 45 ASP H H 1 9.169 0.025 . 1 . . . . 45 D H . 16019 1 410 . 1 1 45 45 ASP HA H 1 4.394 0.025 . 1 . . . . 45 D HA . 16019 1 411 . 1 1 45 45 ASP HB2 H 1 2.958 0.025 . 2 . . . . 45 D HB2 . 16019 1 412 . 1 1 45 45 ASP HB3 H 1 2.594 0.025 . 2 . . . . 45 D HB3 . 16019 1 413 . 1 1 45 45 ASP CA C 13 57.516 0.4 . 1 . . . . 45 D CA . 16019 1 414 . 1 1 45 45 ASP CB C 13 40.602 0.4 . 1 . . . . 45 D CB . 16019 1 415 . 1 1 45 45 ASP N N 15 117.985 0.4 . 1 . . . . 45 D N . 16019 1 416 . 1 1 46 46 GLU H H 1 8.168 0.025 . 1 . . . . 46 E H . 16019 1 417 . 1 1 46 46 GLU HA H 1 4.042 0.025 . 1 . . . . 46 E HA . 16019 1 418 . 1 1 46 46 GLU HB2 H 1 0.637 0.025 . 2 . . . . 46 E HB2 . 16019 1 419 . 1 1 46 46 GLU HB3 H 1 0.558 0.025 . 2 . . . . 46 E HB3 . 16019 1 420 . 1 1 46 46 GLU HG2 H 1 1.878 0.025 . 2 . . . . 46 E HG2 . 16019 1 421 . 1 1 46 46 GLU HG3 H 1 1.984 0.025 . 2 . . . . 46 E HG3 . 16019 1 422 . 1 1 46 46 GLU CA C 13 56.052 0.4 . 1 . . . . 46 E CA . 16019 1 423 . 1 1 46 46 GLU CB C 13 28.287 0.4 . 1 . . . . 46 E CB . 16019 1 424 . 1 1 46 46 GLU CG C 13 35.785 0.4 . 1 . . . . 46 E CG . 16019 1 425 . 1 1 46 46 GLU N N 15 112.661 0.4 . 1 . . . . 46 E N . 16019 1 426 . 1 1 47 47 PHE H H 1 6.670 0.025 . 1 . . . . 47 F H . 16019 1 427 . 1 1 47 47 PHE HA H 1 5.294 0.025 . 1 . . . . 47 F HA . 16019 1 428 . 1 1 47 47 PHE HB2 H 1 3.061 0.025 . 2 . . . . 47 F HB2 . 16019 1 429 . 1 1 47 47 PHE HB3 H 1 2.939 0.025 . 2 . . . . 47 F HB3 . 16019 1 430 . 1 1 47 47 PHE HD1 H 1 6.550 0.025 . 3 . . . . 47 F QD . 16019 1 431 . 1 1 47 47 PHE HD2 H 1 6.550 0.025 . 3 . . . . 47 F QD . 16019 1 432 . 1 1 47 47 PHE HE1 H 1 5.804 0.025 . 3 . . . . 47 F QE . 16019 1 433 . 1 1 47 47 PHE HE2 H 1 5.804 0.025 . 3 . . . . 47 F QE . 16019 1 434 . 1 1 47 47 PHE CA C 13 57.500 0.4 . 1 . . . . 47 F CA . 16019 1 435 . 1 1 47 47 PHE CB C 13 39.453 0.4 . 1 . . . . 47 F CB . 16019 1 436 . 1 1 47 47 PHE CD1 C 13 131.566 0.4 . 3 . . . . 47 F CD1 . 16019 1 437 . 1 1 47 47 PHE CE1 C 13 130.631 0.4 . 3 . . . . 47 F CE1 . 16019 1 438 . 1 1 47 47 PHE N N 15 110.959 0.4 . 1 . . . . 47 F N . 16019 1 439 . 1 1 48 48 LEU H H 1 8.391 0.025 . 1 . . . . 48 L H . 16019 1 440 . 1 1 48 48 LEU HA H 1 4.364 0.025 . 1 . . . . 48 L HA . 16019 1 441 . 1 1 48 48 LEU HB2 H 1 1.547 0.025 . 2 . . . . 48 L QB . 16019 1 442 . 1 1 48 48 LEU HB3 H 1 1.547 0.025 . 2 . . . . 48 L QB . 16019 1 443 . 1 1 48 48 LEU HD11 H 1 0.224 0.025 . 2 . . . . 48 L QD1 . 16019 1 444 . 1 1 48 48 LEU HD12 H 1 0.224 0.025 . 2 . . . . 48 L QD1 . 16019 1 445 . 1 1 48 48 LEU HD13 H 1 0.224 0.025 . 2 . . . . 48 L QD1 . 16019 1 446 . 1 1 48 48 LEU HD21 H 1 0.756 0.025 . 2 . . . . 48 L QD2 . 16019 1 447 . 1 1 48 48 LEU HD22 H 1 0.756 0.025 . 2 . . . . 48 L QD2 . 16019 1 448 . 1 1 48 48 LEU HD23 H 1 0.756 0.025 . 2 . . . . 48 L QD2 . 16019 1 449 . 1 1 48 48 LEU HG H 1 1.442 0.025 . 1 . . . . 48 L HG . 16019 1 450 . 1 1 48 48 LEU CA C 13 58.703 0.4 . 1 . . . . 48 L CA . 16019 1 451 . 1 1 48 48 LEU CB C 13 40.389 0.4 . 1 . . . . 48 L CB . 16019 1 452 . 1 1 48 48 LEU CD1 C 13 24.352 0.4 . 2 . . . . 48 L CD1 . 16019 1 453 . 1 1 48 48 LEU CD2 C 13 22.942 0.4 . 2 . . . . 48 L CD2 . 16019 1 454 . 1 1 48 48 LEU CG C 13 27.234 0.4 . 1 . . . . 48 L CG . 16019 1 455 . 1 1 48 48 LEU N N 15 122.221 0.4 . 1 . . . . 48 L N . 16019 1 456 . 1 1 49 49 ASN H H 1 9.442 0.025 . 1 . . . . 49 N H . 16019 1 457 . 1 1 49 49 ASN HA H 1 4.736 0.025 . 1 . . . . 49 N HA . 16019 1 458 . 1 1 49 49 ASN HB2 H 1 2.954 0.025 . 2 . . . . 49 N HB2 . 16019 1 459 . 1 1 49 49 ASN HB3 H 1 2.920 0.025 . 2 . . . . 49 N HB3 . 16019 1 460 . 1 1 49 49 ASN HD21 H 1 7.620 0.025 . 2 . . . . 49 N HD21 . 16019 1 461 . 1 1 49 49 ASN HD22 H 1 6.939 0.025 . 2 . . . . 49 N HD22 . 16019 1 462 . 1 1 49 49 ASN CA C 13 54.091 0.4 . 1 . . . . 49 N CA . 16019 1 463 . 1 1 49 49 ASN CB C 13 37.514 0.4 . 1 . . . . 49 N CB . 16019 1 464 . 1 1 49 49 ASN N N 15 116.270 0.4 . 1 . . . . 49 N N . 16019 1 465 . 1 1 49 49 ASN ND2 N 15 109.887 0.4 . 1 . . . . 49 N ND2 . 16019 1 466 . 1 1 50 50 LYS H H 1 7.169 0.025 . 1 . . . . 50 K H . 16019 1 467 . 1 1 50 50 LYS HA H 1 4.511 0.025 . 1 . . . . 50 K HA . 16019 1 468 . 1 1 50 50 LYS HB2 H 1 2.209 0.025 . 2 . . . . 50 K HB2 . 16019 1 469 . 1 1 50 50 LYS HB3 H 1 1.741 0.025 . 2 . . . . 50 K HB3 . 16019 1 470 . 1 1 50 50 LYS HD2 H 1 1.833 0.025 . 2 . . . . 50 K QD . 16019 1 471 . 1 1 50 50 LYS HD3 H 1 1.833 0.025 . 2 . . . . 50 K QD . 16019 1 472 . 1 1 50 50 LYS HE2 H 1 3.120 0.025 . 2 . . . . 50 K QE . 16019 1 473 . 1 1 50 50 LYS HE3 H 1 3.120 0.025 . 2 . . . . 50 K QE . 16019 1 474 . 1 1 50 50 LYS HG2 H 1 1.411 0.025 . 2 . . . . 50 K HG2 . 16019 1 475 . 1 1 50 50 LYS HG3 H 1 1.283 0.025 . 2 . . . . 50 K HG3 . 16019 1 476 . 1 1 50 50 LYS CA C 13 55.495 0.4 . 1 . . . . 50 K CA . 16019 1 477 . 1 1 50 50 LYS CB C 13 32.769 0.4 . 1 . . . . 50 K CB . 16019 1 478 . 1 1 50 50 LYS CD C 13 29.113 0.4 . 1 . . . . 50 K CD . 16019 1 479 . 1 1 50 50 LYS CE C 13 42.334 0.4 . 1 . . . . 50 K CE . 16019 1 480 . 1 1 50 50 LYS CG C 13 25.553 0.4 . 1 . . . . 50 K CG . 16019 1 481 . 1 1 50 50 LYS N N 15 116.407 0.4 . 1 . . . . 50 K N . 16019 1 482 . 1 1 51 51 GLY H H 1 7.597 0.025 . 1 . . . . 51 G H . 16019 1 483 . 1 1 51 51 GLY HA2 H 1 4.163 0.025 . 2 . . . . 51 G HA2 . 16019 1 484 . 1 1 51 51 GLY HA3 H 1 3.655 0.025 . 2 . . . . 51 G HA3 . 16019 1 485 . 1 1 51 51 GLY CA C 13 45.378 0.4 . 1 . . . . 51 G CA . 16019 1 486 . 1 1 51 51 GLY N N 15 105.302 0.4 . 1 . . . . 51 G N . 16019 1 487 . 1 1 52 52 TYR H H 1 7.769 0.025 . 1 . . . . 52 Y H . 16019 1 488 . 1 1 52 52 TYR HA H 1 4.753 0.025 . 1 . . . . 52 Y HA . 16019 1 489 . 1 1 52 52 TYR HB2 H 1 2.738 0.025 . 2 . . . . 52 Y HB2 . 16019 1 490 . 1 1 52 52 TYR HB3 H 1 2.969 0.025 . 2 . . . . 52 Y HB3 . 16019 1 491 . 1 1 52 52 TYR HD1 H 1 7.317 0.025 . 3 . . . . 52 Y QD . 16019 1 492 . 1 1 52 52 TYR HD2 H 1 7.317 0.025 . 3 . . . . 52 Y QD . 16019 1 493 . 1 1 52 52 TYR HE1 H 1 6.890 0.025 . 3 . . . . 52 Y QE . 16019 1 494 . 1 1 52 52 TYR HE2 H 1 6.890 0.025 . 3 . . . . 52 Y QE . 16019 1 495 . 1 1 52 52 TYR CA C 13 57.832 0.4 . 1 . . . . 52 Y CA . 16019 1 496 . 1 1 52 52 TYR CB C 13 38.431 0.4 . 1 . . . . 52 Y CB . 16019 1 497 . 1 1 52 52 TYR CD1 C 13 133.220 0.4 . 3 . . . . 52 Y CD1 . 16019 1 498 . 1 1 52 52 TYR CE1 C 13 118.032 0.4 . 3 . . . . 52 Y CE1 . 16019 1 499 . 1 1 52 52 TYR N N 15 119.929 0.4 . 1 . . . . 52 Y N . 16019 1 500 . 1 1 53 53 ASN H H 1 8.432 0.025 . 1 . . . . 53 N H . 16019 1 501 . 1 1 53 53 ASN HA H 1 4.683 0.025 . 1 . . . . 53 N HA . 16019 1 502 . 1 1 53 53 ASN HB2 H 1 3.048 0.025 . 2 . . . . 53 N HB2 . 16019 1 503 . 1 1 53 53 ASN HB3 H 1 2.726 0.025 . 2 . . . . 53 N HB3 . 16019 1 504 . 1 1 53 53 ASN HD21 H 1 7.265 0.025 . 2 . . . . 53 N HD21 . 16019 1 505 . 1 1 53 53 ASN HD22 H 1 6.559 0.025 . 2 . . . . 53 N HD22 . 16019 1 506 . 1 1 53 53 ASN CA C 13 51.272 0.4 . 1 . . . . 53 N CA . 16019 1 507 . 1 1 53 53 ASN CB C 13 38.710 0.4 . 1 . . . . 53 N CB . 16019 1 508 . 1 1 53 53 ASN N N 15 117.971 0.4 . 1 . . . . 53 N N . 16019 1 509 . 1 1 53 53 ASN ND2 N 15 108.229 0.4 . 1 . . . . 53 N ND2 . 16019 1 510 . 1 1 54 54 LYS H H 1 7.663 0.025 . 1 . . . . 54 K H . 16019 1 511 . 1 1 54 54 LYS HA H 1 5.414 0.025 . 1 . . . . 54 K HA . 16019 1 512 . 1 1 54 54 LYS HB2 H 1 2.280 0.025 . 2 . . . . 54 K HB2 . 16019 1 513 . 1 1 54 54 LYS HB3 H 1 1.385 0.025 . 2 . . . . 54 K HB3 . 16019 1 514 . 1 1 54 54 LYS HD2 H 1 1.643 0.025 . 2 . . . . 54 K QD . 16019 1 515 . 1 1 54 54 LYS HD3 H 1 1.643 0.025 . 2 . . . . 54 K QD . 16019 1 516 . 1 1 54 54 LYS HE2 H 1 3.069 0.025 . 2 . . . . 54 K QE . 16019 1 517 . 1 1 54 54 LYS HE3 H 1 3.069 0.025 . 2 . . . . 54 K QE . 16019 1 518 . 1 1 54 54 LYS HG2 H 1 1.309 0.025 . 2 . . . . 54 K HG2 . 16019 1 519 . 1 1 54 54 LYS HG3 H 1 1.739 0.025 . 2 . . . . 54 K HG3 . 16019 1 520 . 1 1 54 54 LYS CA C 13 55.461 0.4 . 1 . . . . 54 K CA . 16019 1 521 . 1 1 54 54 LYS CB C 13 34.042 0.4 . 1 . . . . 54 K CB . 16019 1 522 . 1 1 54 54 LYS CD C 13 29.861 0.4 . 1 . . . . 54 K CD . 16019 1 523 . 1 1 54 54 LYS CE C 13 42.285 0.4 . 1 . . . . 54 K CE . 16019 1 524 . 1 1 54 54 LYS CG C 13 24.754 0.4 . 1 . . . . 54 K CG . 16019 1 525 . 1 1 54 54 LYS N N 15 118.979 0.4 . 1 . . . . 54 K N . 16019 1 526 . 1 1 54 54 LYS NZ N 15 60.939 0.4 . 1 . . . . 54 K NZ . 16019 1 527 . 1 1 55 55 ILE H H 1 8.816 0.025 . 1 . . . . 55 I H . 16019 1 528 . 1 1 55 55 ILE HA H 1 5.043 0.025 . 1 . . . . 55 I HA . 16019 1 529 . 1 1 55 55 ILE HB H 1 1.919 0.025 . 1 . . . . 55 I HB . 16019 1 530 . 1 1 55 55 ILE HD11 H 1 0.617 0.025 . 2 . . . . 55 I QD1 . 16019 1 531 . 1 1 55 55 ILE HD12 H 1 0.617 0.025 . 2 . . . . 55 I QD1 . 16019 1 532 . 1 1 55 55 ILE HD13 H 1 0.617 0.025 . 2 . . . . 55 I QD1 . 16019 1 533 . 1 1 55 55 ILE HG12 H 1 1.345 0.025 . 2 . . . . 55 I QG1 . 16019 1 534 . 1 1 55 55 ILE HG13 H 1 1.345 0.025 . 2 . . . . 55 I QG1 . 16019 1 535 . 1 1 55 55 ILE HG21 H 1 0.777 0.025 . 2 . . . . 55 I QG2 . 16019 1 536 . 1 1 55 55 ILE HG22 H 1 0.777 0.025 . 2 . . . . 55 I QG2 . 16019 1 537 . 1 1 55 55 ILE HG23 H 1 0.777 0.025 . 2 . . . . 55 I QG2 . 16019 1 538 . 1 1 55 55 ILE CA C 13 58.904 0.4 . 1 . . . . 55 I CA . 16019 1 539 . 1 1 55 55 ILE CB C 13 42.327 0.4 . 1 . . . . 55 I CB . 16019 1 540 . 1 1 55 55 ILE CD1 C 13 12.416 0.4 . 1 . . . . 55 I CD1 . 16019 1 541 . 1 1 55 55 ILE CG1 C 13 27.181 0.4 . 1 . . . . 55 I CG1 . 16019 1 542 . 1 1 55 55 ILE CG2 C 13 17.271 0.4 . 1 . . . . 55 I CG2 . 16019 1 543 . 1 1 55 55 ILE N N 15 122.604 0.4 . 1 . . . . 55 I N . 16019 1 544 . 1 1 56 56 PHE H H 1 9.285 0.025 . 1 . . . . 56 F H . 16019 1 545 . 1 1 56 56 PHE HA H 1 5.551 0.025 . 1 . . . . 56 F HA . 16019 1 546 . 1 1 56 56 PHE HB2 H 1 3.182 0.025 . 2 . . . . 56 F HB2 . 16019 1 547 . 1 1 56 56 PHE HB3 H 1 2.846 0.025 . 2 . . . . 56 F HB3 . 16019 1 548 . 1 1 56 56 PHE HD1 H 1 7.020 0.025 . 3 . . . . 56 F QD . 16019 1 549 . 1 1 56 56 PHE HD2 H 1 7.020 0.025 . 3 . . . . 56 F QD . 16019 1 550 . 1 1 56 56 PHE HE1 H 1 7.121 0.025 . 3 . . . . 56 F QE . 16019 1 551 . 1 1 56 56 PHE HE2 H 1 7.121 0.025 . 3 . . . . 56 F QE . 16019 1 552 . 1 1 56 56 PHE CA C 13 52.219 0.4 . 1 . . . . 56 F CA . 16019 1 553 . 1 1 56 56 PHE CB C 13 39.987 0.4 . 1 . . . . 56 F CB . 16019 1 554 . 1 1 56 56 PHE CD1 C 13 129.673 0.4 . 3 . . . . 56 F CD1 . 16019 1 555 . 1 1 56 56 PHE CD2 C 13 129.670 0.4 . 3 . . . . 56 F CD2 . 16019 1 556 . 1 1 56 56 PHE CE1 C 13 131.087 0.4 . 3 . . . . 56 F CE1 . 16019 1 557 . 1 1 56 56 PHE CE2 C 13 131.090 0.4 . 3 . . . . 56 F CE2 . 16019 1 558 . 1 1 56 56 PHE N N 15 123.540 0.4 . 1 . . . . 56 F N . 16019 1 559 . 1 1 57 57 LEU H H 1 9.004 0.025 . 1 . . . . 57 L H . 16019 1 560 . 1 1 57 57 LEU HA H 1 5.012 0.025 . 1 . . . . 57 L HA . 16019 1 561 . 1 1 57 57 LEU HB2 H 1 1.280 0.025 . 2 . . . . 57 L HB2 . 16019 1 562 . 1 1 57 57 LEU HB3 H 1 2.227 0.025 . 2 . . . . 57 L HB3 . 16019 1 563 . 1 1 57 57 LEU HD11 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 564 . 1 1 57 57 LEU HD12 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 565 . 1 1 57 57 LEU HD13 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 566 . 1 1 57 57 LEU HD21 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 567 . 1 1 57 57 LEU HD22 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 568 . 1 1 57 57 LEU HD23 H 1 1.005 0.025 . 2 . . . . 57 L QQD . 16019 1 569 . 1 1 57 57 LEU HG H 1 1.606 0.025 . 1 . . . . 57 L HG . 16019 1 570 . 1 1 57 57 LEU CA C 13 53.356 0.4 . 1 . . . . 57 L CA . 16019 1 571 . 1 1 57 57 LEU CB C 13 43.129 0.4 . 1 . . . . 57 L CB . 16019 1 572 . 1 1 57 57 LEU CD1 C 13 24.763 0.4 . 2 . . . . 57 L CD1 . 16019 1 573 . 1 1 57 57 LEU CD2 C 13 24.763 0.4 . 2 . . . . 57 L CD2 . 16019 1 574 . 1 1 57 57 LEU CG C 13 27.413 0.4 . 1 . . . . 57 L CG . 16019 1 575 . 1 1 57 57 LEU N N 15 125.221 0.4 . 1 . . . . 57 L N . 16019 1 576 . 1 1 58 58 VAL H H 1 9.064 0.025 . 1 . . . . 58 V H . 16019 1 577 . 1 1 58 58 VAL HA H 1 4.410 0.025 . 1 . . . . 58 V HA . 16019 1 578 . 1 1 58 58 VAL HB H 1 2.475 0.025 . 1 . . . . 58 V HB . 16019 1 579 . 1 1 58 58 VAL HG11 H 1 0.959 0.025 . 2 . . . . 58 V QG1 . 16019 1 580 . 1 1 58 58 VAL HG12 H 1 0.959 0.025 . 2 . . . . 58 V QG1 . 16019 1 581 . 1 1 58 58 VAL HG13 H 1 0.959 0.025 . 2 . . . . 58 V QG1 . 16019 1 582 . 1 1 58 58 VAL HG21 H 1 1.103 0.025 . 2 . . . . 58 V QG2 . 16019 1 583 . 1 1 58 58 VAL HG22 H 1 1.103 0.025 . 2 . . . . 58 V QG2 . 16019 1 584 . 1 1 58 58 VAL HG23 H 1 1.103 0.025 . 2 . . . . 58 V QG2 . 16019 1 585 . 1 1 58 58 VAL CA C 13 62.798 0.4 . 1 . . . . 58 V CA . 16019 1 586 . 1 1 58 58 VAL CB C 13 31.597 0.4 . 1 . . . . 58 V CB . 16019 1 587 . 1 1 58 58 VAL CG1 C 13 22.195 0.4 . 2 . . . . 58 V CG1 . 16019 1 588 . 1 1 58 58 VAL CG2 C 13 21.761 0.4 . 2 . . . . 58 V CG2 . 16019 1 589 . 1 1 58 58 VAL N N 15 128.641 0.4 . 1 . . . . 58 V N . 16019 1 590 . 1 1 59 59 LEU H H 1 9.040 0.025 . 1 . . . . 59 L H . 16019 1 591 . 1 1 59 59 LEU HA H 1 4.609 0.025 . 1 . . . . 59 L HA . 16019 1 592 . 1 1 59 59 LEU HB2 H 1 1.381 0.025 . 2 . . . . 59 L HB2 . 16019 1 593 . 1 1 59 59 LEU HB3 H 1 2.026 0.025 . 2 . . . . 59 L HB3 . 16019 1 594 . 1 1 59 59 LEU HD11 H 1 0.897 0.025 . 2 . . . . 59 L QD1 . 16019 1 595 . 1 1 59 59 LEU HD12 H 1 0.897 0.025 . 2 . . . . 59 L QD1 . 16019 1 596 . 1 1 59 59 LEU HD13 H 1 0.897 0.025 . 2 . . . . 59 L QD1 . 16019 1 597 . 1 1 59 59 LEU HD21 H 1 0.761 0.025 . 2 . . . . 59 L QD2 . 16019 1 598 . 1 1 59 59 LEU HD22 H 1 0.761 0.025 . 2 . . . . 59 L QD2 . 16019 1 599 . 1 1 59 59 LEU HD23 H 1 0.761 0.025 . 2 . . . . 59 L QD2 . 16019 1 600 . 1 1 59 59 LEU HG H 1 1.728 0.025 . 1 . . . . 59 L HG . 16019 1 601 . 1 1 59 59 LEU CA C 13 54.062 0.4 . 1 . . . . 59 L CA . 16019 1 602 . 1 1 59 59 LEU CB C 13 42.663 0.4 . 1 . . . . 59 L CB . 16019 1 603 . 1 1 59 59 LEU CD1 C 13 27.727 0.4 . 2 . . . . 59 L CD1 . 16019 1 604 . 1 1 59 59 LEU CD2 C 13 22.817 0.4 . 2 . . . . 59 L CD2 . 16019 1 605 . 1 1 59 59 LEU CG C 13 26.060 0.4 . 1 . . . . 59 L CG . 16019 1 606 . 1 1 59 59 LEU N N 15 127.136 0.4 . 1 . . . . 59 L N . 16019 1 607 . 1 1 60 60 SER H H 1 7.228 0.025 . 1 . . . . 60 S H . 16019 1 608 . 1 1 60 60 SER HA H 1 4.335 0.025 . 1 . . . . 60 S HA . 16019 1 609 . 1 1 60 60 SER HB2 H 1 4.021 0.025 . 2 . . . . 60 S HB2 . 16019 1 610 . 1 1 60 60 SER HB3 H 1 3.897 0.025 . 2 . . . . 60 S HB3 . 16019 1 611 . 1 1 60 60 SER CA C 13 61.310 0.4 . 1 . . . . 60 S CA . 16019 1 612 . 1 1 60 60 SER CB C 13 63.382 0.4 . 1 . . . . 60 S CB . 16019 1 613 . 1 1 60 60 SER N N 15 115.558 0.4 . 1 . . . . 60 S N . 16019 1 614 . 1 1 61 61 ASP H H 1 8.711 0.025 . 1 . . . . 61 D H . 16019 1 615 . 1 1 61 61 ASP HA H 1 5.079 0.025 . 1 . . . . 61 D HA . 16019 1 616 . 1 1 61 61 ASP HB2 H 1 3.040 0.025 . 2 . . . . 61 D HB2 . 16019 1 617 . 1 1 61 61 ASP HB3 H 1 2.500 0.025 . 2 . . . . 61 D HB3 . 16019 1 618 . 1 1 61 61 ASP CA C 13 53.643 0.4 . 1 . . . . 61 D CA . 16019 1 619 . 1 1 61 61 ASP CB C 13 41.313 0.4 . 1 . . . . 61 D CB . 16019 1 620 . 1 1 61 61 ASP N N 15 119.495 0.4 . 1 . . . . 61 D N . 16019 1 621 . 1 1 62 62 VAL H H 1 6.985 0.025 . 1 . . . . 62 V H . 16019 1 622 . 1 1 62 62 VAL HA H 1 3.773 0.025 . 1 . . . . 62 V HA . 16019 1 623 . 1 1 62 62 VAL HB H 1 1.969 0.025 . 1 . . . . 62 V HB . 16019 1 624 . 1 1 62 62 VAL HG11 H 1 0.850 0.025 . 2 . . . . 62 V QG1 . 16019 1 625 . 1 1 62 62 VAL HG12 H 1 0.850 0.025 . 2 . . . . 62 V QG1 . 16019 1 626 . 1 1 62 62 VAL HG13 H 1 0.850 0.025 . 2 . . . . 62 V QG1 . 16019 1 627 . 1 1 62 62 VAL HG21 H 1 0.791 0.025 . 2 . . . . 62 V QG2 . 16019 1 628 . 1 1 62 62 VAL HG22 H 1 0.791 0.025 . 2 . . . . 62 V QG2 . 16019 1 629 . 1 1 62 62 VAL HG23 H 1 0.791 0.025 . 2 . . . . 62 V QG2 . 16019 1 630 . 1 1 62 62 VAL CA C 13 61.577 0.4 . 1 . . . . 62 V CA . 16019 1 631 . 1 1 62 62 VAL CB C 13 32.434 0.4 . 1 . . . . 62 V CB . 16019 1 632 . 1 1 62 62 VAL CG1 C 13 22.124 0.4 . 2 . . . . 62 V CG1 . 16019 1 633 . 1 1 62 62 VAL CG2 C 13 21.843 0.4 . 2 . . . . 62 V CG2 . 16019 1 634 . 1 1 62 62 VAL N N 15 119.250 0.4 . 1 . . . . 62 V N . 16019 1 635 . 1 1 63 63 GLU H H 1 8.724 0.025 . 1 . . . . 63 E H . 16019 1 636 . 1 1 63 63 GLU HA H 1 4.063 0.025 . 1 . . . . 63 E HA . 16019 1 637 . 1 1 63 63 GLU HB2 H 1 2.052 0.025 . 2 . . . . 63 E QB . 16019 1 638 . 1 1 63 63 GLU HB3 H 1 2.052 0.025 . 2 . . . . 63 E QB . 16019 1 639 . 1 1 63 63 GLU HG2 H 1 2.357 0.025 . 2 . . . . 63 E QG . 16019 1 640 . 1 1 63 63 GLU HG3 H 1 2.357 0.025 . 2 . . . . 63 E QG . 16019 1 641 . 1 1 63 63 GLU CA C 13 58.867 0.4 . 1 . . . . 63 E CA . 16019 1 642 . 1 1 63 63 GLU CB C 13 30.844 0.4 . 1 . . . . 63 E CB . 16019 1 643 . 1 1 63 63 GLU CG C 13 36.116 0.4 . 1 . . . . 63 E CG . 16019 1 644 . 1 1 63 63 GLU N N 15 125.805 0.4 . 1 . . . . 63 E N . 16019 1 645 . 1 1 64 64 SER H H 1 7.165 0.025 . 1 . . . . 64 S H . 16019 1 646 . 1 1 64 64 SER HA H 1 4.516 0.025 . 1 . . . . 64 S HA . 16019 1 647 . 1 1 64 64 SER HB2 H 1 3.811 0.025 . 2 . . . . 64 S HB2 . 16019 1 648 . 1 1 64 64 SER HB3 H 1 3.868 0.025 . 2 . . . . 64 S HB3 . 16019 1 649 . 1 1 64 64 SER CA C 13 57.032 0.4 . 1 . . . . 64 S CA . 16019 1 650 . 1 1 64 64 SER CB C 13 64.518 0.4 . 1 . . . . 64 S CB . 16019 1 651 . 1 1 64 64 SER N N 15 107.537 0.4 . 1 . . . . 64 S N . 16019 1 652 . 1 1 65 65 ILE H H 1 8.072 0.025 . 1 . . . . 65 I H . 16019 1 653 . 1 1 65 65 ILE HA H 1 5.218 0.025 . 1 . . . . 65 I HA . 16019 1 654 . 1 1 65 65 ILE HB H 1 1.851 0.025 . 1 . . . . 65 I HB . 16019 1 655 . 1 1 65 65 ILE HD11 H 1 0.836 0.025 . 2 . . . . 65 I QD1 . 16019 1 656 . 1 1 65 65 ILE HD12 H 1 0.836 0.025 . 2 . . . . 65 I QD1 . 16019 1 657 . 1 1 65 65 ILE HD13 H 1 0.836 0.025 . 2 . . . . 65 I QD1 . 16019 1 658 . 1 1 65 65 ILE HG12 H 1 1.654 0.025 . 2 . . . . 65 I HG12 . 16019 1 659 . 1 1 65 65 ILE HG13 H 1 1.210 0.025 . 2 . . . . 65 I HG13 . 16019 1 660 . 1 1 65 65 ILE HG21 H 1 0.954 0.025 . 2 . . . . 65 I QG2 . 16019 1 661 . 1 1 65 65 ILE HG22 H 1 0.954 0.025 . 2 . . . . 65 I QG2 . 16019 1 662 . 1 1 65 65 ILE HG23 H 1 0.954 0.025 . 2 . . . . 65 I QG2 . 16019 1 663 . 1 1 65 65 ILE CA C 13 59.890 0.4 . 1 . . . . 65 I CA . 16019 1 664 . 1 1 65 65 ILE CB C 13 41.525 0.4 . 1 . . . . 65 I CB . 16019 1 665 . 1 1 65 65 ILE CD1 C 13 14.573 0.4 . 1 . . . . 65 I CD1 . 16019 1 666 . 1 1 65 65 ILE CG1 C 13 27.415 0.4 . 1 . . . . 65 I CG1 . 16019 1 667 . 1 1 65 65 ILE CG2 C 13 17.433 0.4 . 1 . . . . 65 I CG2 . 16019 1 668 . 1 1 65 65 ILE N N 15 118.674 0.4 . 1 . . . . 65 I N . 16019 1 669 . 1 1 66 66 ASP H H 1 7.790 0.025 . 1 . . . . 66 D H . 16019 1 670 . 1 1 66 66 ASP HA H 1 5.043 0.025 . 1 . . . . 66 D HA . 16019 1 671 . 1 1 66 66 ASP HB2 H 1 3.382 0.025 . 2 . . . . 66 D HB2 . 16019 1 672 . 1 1 66 66 ASP HB3 H 1 3.010 0.025 . 2 . . . . 66 D HB3 . 16019 1 673 . 1 1 66 66 ASP CA C 13 52.353 0.4 . 1 . . . . 66 D CA . 16019 1 674 . 1 1 66 66 ASP CB C 13 42.862 0.4 . 1 . . . . 66 D CB . 16019 1 675 . 1 1 66 66 ASP N N 15 122.926 0.4 . 1 . . . . 66 D N . 16019 1 676 . 1 1 67 67 SER H H 1 8.736 0.025 . 1 . . . . 67 S H . 16019 1 677 . 1 1 67 67 SER CA C 13 52.257 0.4 . 1 . . . . 67 S CA . 16019 1 678 . 1 1 67 67 SER CB C 13 63.120 0.4 . 1 . . . . 67 S CB . 16019 1 679 . 1 1 67 67 SER N N 15 115.108 0.4 . 1 . . . . 67 S N . 16019 1 680 . 1 1 68 68 PHE H H 1 8.330 0.025 . 1 . . . . 68 F H . 16019 1 681 . 1 1 68 68 PHE HA H 1 4.289 0.025 . 1 . . . . 68 F HA . 16019 1 682 . 1 1 68 68 PHE HB2 H 1 3.370 0.025 . 2 . . . . 68 F HB2 . 16019 1 683 . 1 1 68 68 PHE HB3 H 1 3.181 0.025 . 2 . . . . 68 F HB3 . 16019 1 684 . 1 1 68 68 PHE HD1 H 1 7.309 0.025 . 3 . . . . 68 F QD . 16019 1 685 . 1 1 68 68 PHE HD2 H 1 7.309 0.025 . 3 . . . . 68 F QD . 16019 1 686 . 1 1 68 68 PHE HE1 H 1 7.385 0.025 . 3 . . . . 68 F QE . 16019 1 687 . 1 1 68 68 PHE HE2 H 1 7.385 0.025 . 3 . . . . 68 F QE . 16019 1 688 . 1 1 68 68 PHE CA C 13 61.278 0.4 . 1 . . . . 68 F CA . 16019 1 689 . 1 1 68 68 PHE CB C 13 38.997 0.4 . 1 . . . . 68 F CB . 16019 1 690 . 1 1 68 68 PHE CD1 C 13 131.993 0.4 . 3 . . . . 68 F CD1 . 16019 1 691 . 1 1 68 68 PHE CE1 C 13 131.731 0.4 . 3 . . . . 68 F CE1 . 16019 1 692 . 1 1 68 68 PHE N N 15 123.623 0.4 . 1 . . . . 68 F N . 16019 1 693 . 1 1 69 69 SER H H 1 8.901 0.025 . 1 . . . . 69 S H . 16019 1 694 . 1 1 69 69 SER HB2 H 1 4.084 0.025 . 2 . . . . 69 S HB2 . 16019 1 695 . 1 1 69 69 SER HB3 H 1 3.664 0.025 . 2 . . . . 69 S HB3 . 16019 1 696 . 1 1 69 69 SER CA C 13 62.662 0.4 . 1 . . . . 69 S CA . 16019 1 697 . 1 1 69 69 SER CB C 13 62.629 0.4 . 1 . . . . 69 S CB . 16019 1 698 . 1 1 69 69 SER N N 15 117.422 0.4 . 1 . . . . 69 S N . 16019 1 699 . 1 1 70 70 LEU H H 1 8.269 0.025 . 1 . . . . 70 L H . 16019 1 700 . 1 1 70 70 LEU HA H 1 4.084 0.025 . 1 . . . . 70 L HA . 16019 1 701 . 1 1 70 70 LEU HB2 H 1 1.753 0.025 . 2 . . . . 70 L QB . 16019 1 702 . 1 1 70 70 LEU HB3 H 1 1.753 0.025 . 2 . . . . 70 L QB . 16019 1 703 . 1 1 70 70 LEU HD11 H 1 0.853 0.025 . 2 . . . . 70 L QD1 . 16019 1 704 . 1 1 70 70 LEU HD12 H 1 0.853 0.025 . 2 . . . . 70 L QD1 . 16019 1 705 . 1 1 70 70 LEU HD13 H 1 0.853 0.025 . 2 . . . . 70 L QD1 . 16019 1 706 . 1 1 70 70 LEU HD21 H 1 0.896 0.025 . 2 . . . . 70 L QD2 . 16019 1 707 . 1 1 70 70 LEU HD22 H 1 0.896 0.025 . 2 . . . . 70 L QD2 . 16019 1 708 . 1 1 70 70 LEU HD23 H 1 0.896 0.025 . 2 . . . . 70 L QD2 . 16019 1 709 . 1 1 70 70 LEU HG H 1 1.772 0.025 . 1 . . . . 70 L HG . 16019 1 710 . 1 1 70 70 LEU CA C 13 58.240 0.4 . 1 . . . . 70 L CA . 16019 1 711 . 1 1 70 70 LEU CB C 13 41.240 0.4 . 1 . . . . 70 L CB . 16019 1 712 . 1 1 70 70 LEU CD1 C 13 24.441 0.4 . 2 . . . . 70 L CD1 . 16019 1 713 . 1 1 70 70 LEU CD2 C 13 24.701 0.4 . 2 . . . . 70 L CD2 . 16019 1 714 . 1 1 70 70 LEU CG C 13 26.690 0.4 . 1 . . . . 70 L CG . 16019 1 715 . 1 1 70 70 LEU N N 15 122.333 0.4 . 1 . . . . 70 L N . 16019 1 716 . 1 1 71 71 GLY H H 1 7.827 0.025 . 1 . . . . 71 G H . 16019 1 717 . 1 1 71 71 GLY HA2 H 1 3.789 0.025 . 2 . . . . 71 G HA2 . 16019 1 718 . 1 1 71 71 GLY HA3 H 1 3.984 0.025 . 2 . . . . 71 G HA3 . 16019 1 719 . 1 1 71 71 GLY CA C 13 47.006 0.4 . 1 . . . . 71 G CA . 16019 1 720 . 1 1 71 71 GLY N N 15 105.424 0.4 . 1 . . . . 71 G N . 16019 1 721 . 1 1 72 72 VAL H H 1 7.572 0.025 . 1 . . . . 72 V H . 16019 1 722 . 1 1 72 72 VAL HA H 1 3.869 0.025 . 1 . . . . 72 V HA . 16019 1 723 . 1 1 72 72 VAL HB H 1 2.430 0.025 . 1 . . . . 72 V HB . 16019 1 724 . 1 1 72 72 VAL HG11 H 1 1.051 0.025 . 2 . . . . 72 V QG1 . 16019 1 725 . 1 1 72 72 VAL HG12 H 1 1.051 0.025 . 2 . . . . 72 V QG1 . 16019 1 726 . 1 1 72 72 VAL HG13 H 1 1.051 0.025 . 2 . . . . 72 V QG1 . 16019 1 727 . 1 1 72 72 VAL HG21 H 1 1.128 0.025 . 2 . . . . 72 V QG2 . 16019 1 728 . 1 1 72 72 VAL HG22 H 1 1.128 0.025 . 2 . . . . 72 V QG2 . 16019 1 729 . 1 1 72 72 VAL HG23 H 1 1.128 0.025 . 2 . . . . 72 V QG2 . 16019 1 730 . 1 1 72 72 VAL CA C 13 66.390 0.4 . 1 . . . . 72 V CA . 16019 1 731 . 1 1 72 72 VAL CB C 13 31.499 0.4 . 1 . . . . 72 V CB . 16019 1 732 . 1 1 72 72 VAL CG1 C 13 23.073 0.4 . 2 . . . . 72 V CG1 . 16019 1 733 . 1 1 72 72 VAL CG2 C 13 21.557 0.4 . 2 . . . . 72 V CG2 . 16019 1 734 . 1 1 72 72 VAL N N 15 122.115 0.4 . 1 . . . . 72 V N . 16019 1 735 . 1 1 73 73 ILE H H 1 8.086 0.025 . 1 . . . . 73 I H . 16019 1 736 . 1 1 73 73 ILE HA H 1 3.650 0.025 . 1 . . . . 73 I HA . 16019 1 737 . 1 1 73 73 ILE HB H 1 2.247 0.025 . 1 . . . . 73 I HB . 16019 1 738 . 1 1 73 73 ILE HD11 H 1 0.857 0.025 . 2 . . . . 73 I QD1 . 16019 1 739 . 1 1 73 73 ILE HD12 H 1 0.857 0.025 . 2 . . . . 73 I QD1 . 16019 1 740 . 1 1 73 73 ILE HD13 H 1 0.857 0.025 . 2 . . . . 73 I QD1 . 16019 1 741 . 1 1 73 73 ILE HG12 H 1 1.941 0.025 . 2 . . . . 73 I HG12 . 16019 1 742 . 1 1 73 73 ILE HG13 H 1 1.057 0.025 . 2 . . . . 73 I HG13 . 16019 1 743 . 1 1 73 73 ILE HG21 H 1 1.022 0.025 . 2 . . . . 73 I QG2 . 16019 1 744 . 1 1 73 73 ILE HG22 H 1 1.022 0.025 . 2 . . . . 73 I QG2 . 16019 1 745 . 1 1 73 73 ILE HG23 H 1 1.022 0.025 . 2 . . . . 73 I QG2 . 16019 1 746 . 1 1 73 73 ILE CA C 13 65.894 0.4 . 1 . . . . 73 I CA . 16019 1 747 . 1 1 73 73 ILE CB C 13 37.575 0.4 . 1 . . . . 73 I CB . 16019 1 748 . 1 1 73 73 ILE CD1 C 13 13.232 0.4 . 1 . . . . 73 I CD1 . 16019 1 749 . 1 1 73 73 ILE CG1 C 13 30.044 0.4 . 1 . . . . 73 I CG1 . 16019 1 750 . 1 1 73 73 ILE CG2 C 13 17.244 0.4 . 1 . . . . 73 I CG2 . 16019 1 751 . 1 1 73 73 ILE N N 15 120.295 0.4 . 1 . . . . 73 I N . 16019 1 752 . 1 1 74 74 VAL H H 1 8.374 0.025 . 1 . . . . 74 V H . 16019 1 753 . 1 1 74 74 VAL HA H 1 3.618 0.025 . 1 . . . . 74 V HA . 16019 1 754 . 1 1 74 74 VAL HB H 1 2.263 0.025 . 1 . . . . 74 V HB . 16019 1 755 . 1 1 74 74 VAL HG11 H 1 1.010 0.025 . 2 . . . . 74 V QG1 . 16019 1 756 . 1 1 74 74 VAL HG12 H 1 1.010 0.025 . 2 . . . . 74 V QG1 . 16019 1 757 . 1 1 74 74 VAL HG13 H 1 1.010 0.025 . 2 . . . . 74 V QG1 . 16019 1 758 . 1 1 74 74 VAL HG21 H 1 1.115 0.025 . 2 . . . . 74 V QG2 . 16019 1 759 . 1 1 74 74 VAL HG22 H 1 1.115 0.025 . 2 . . . . 74 V QG2 . 16019 1 760 . 1 1 74 74 VAL HG23 H 1 1.115 0.025 . 2 . . . . 74 V QG2 . 16019 1 761 . 1 1 74 74 VAL CA C 13 67.079 0.4 . 1 . . . . 74 V CA . 16019 1 762 . 1 1 74 74 VAL CB C 13 31.118 0.4 . 1 . . . . 74 V CB . 16019 1 763 . 1 1 74 74 VAL CG1 C 13 21.798 0.4 . 2 . . . . 74 V CG1 . 16019 1 764 . 1 1 74 74 VAL CG2 C 13 23.646 0.4 . 2 . . . . 74 V CG2 . 16019 1 765 . 1 1 74 74 VAL N N 15 119.345 0.4 . 1 . . . . 74 V N . 16019 1 766 . 1 1 75 75 ASN H H 1 8.044 0.025 . 1 . . . . 75 N H . 16019 1 767 . 1 1 75 75 ASN HA H 1 4.536 0.025 . 1 . . . . 75 N HA . 16019 1 768 . 1 1 75 75 ASN HB2 H 1 3.091 0.025 . 2 . . . . 75 N HB2 . 16019 1 769 . 1 1 75 75 ASN HB3 H 1 2.961 0.025 . 2 . . . . 75 N HB3 . 16019 1 770 . 1 1 75 75 ASN HD21 H 1 7.543 0.025 . 2 . . . . 75 N HD21 . 16019 1 771 . 1 1 75 75 ASN HD22 H 1 6.923 0.025 . 2 . . . . 75 N HD22 . 16019 1 772 . 1 1 75 75 ASN CA C 13 56.805 0.4 . 1 . . . . 75 N CA . 16019 1 773 . 1 1 75 75 ASN CB C 13 39.021 0.4 . 1 . . . . 75 N CB . 16019 1 774 . 1 1 75 75 ASN N N 15 118.877 0.4 . 1 . . . . 75 N N . 16019 1 775 . 1 1 75 75 ASN ND2 N 15 111.439 0.4 . 1 . . . . 75 N ND2 . 16019 1 776 . 1 1 76 76 ILE H H 1 8.353 0.025 . 1 . . . . 76 I H . 16019 1 777 . 1 1 76 76 ILE HA H 1 3.652 0.025 . 1 . . . . 76 I HA . 16019 1 778 . 1 1 76 76 ILE HB H 1 1.907 0.025 . 1 . . . . 76 I HB . 16019 1 779 . 1 1 76 76 ILE HD11 H 1 0.905 0.025 . 2 . . . . 76 I QD1 . 16019 1 780 . 1 1 76 76 ILE HD12 H 1 0.905 0.025 . 2 . . . . 76 I QD1 . 16019 1 781 . 1 1 76 76 ILE HD13 H 1 0.905 0.025 . 2 . . . . 76 I QD1 . 16019 1 782 . 1 1 76 76 ILE HG12 H 1 2.057 0.025 . 2 . . . . 76 I HG12 . 16019 1 783 . 1 1 76 76 ILE HG13 H 1 0.964 0.025 . 2 . . . . 76 I HG13 . 16019 1 784 . 1 1 76 76 ILE HG21 H 1 0.531 0.025 . 2 . . . . 76 I QG2 . 16019 1 785 . 1 1 76 76 ILE HG22 H 1 0.531 0.025 . 2 . . . . 76 I QG2 . 16019 1 786 . 1 1 76 76 ILE HG23 H 1 0.531 0.025 . 2 . . . . 76 I QG2 . 16019 1 787 . 1 1 76 76 ILE CA C 13 65.387 0.4 . 1 . . . . 76 I CA . 16019 1 788 . 1 1 76 76 ILE CB C 13 38.009 0.4 . 1 . . . . 76 I CB . 16019 1 789 . 1 1 76 76 ILE CD1 C 13 14.399 0.4 . 1 . . . . 76 I CD1 . 16019 1 790 . 1 1 76 76 ILE CG1 C 13 29.285 0.4 . 1 . . . . 76 I CG1 . 16019 1 791 . 1 1 76 76 ILE CG2 C 13 17.129 0.4 . 1 . . . . 76 I CG2 . 16019 1 792 . 1 1 76 76 ILE N N 15 121.508 0.4 . 1 . . . . 76 I N . 16019 1 793 . 1 1 77 77 LEU H H 1 8.161 0.025 . 1 . . . . 77 L H . 16019 1 794 . 1 1 77 77 LEU HA H 1 3.709 0.025 . 1 . . . . 77 L HA . 16019 1 795 . 1 1 77 77 LEU HB2 H 1 1.408 0.025 . 2 . . . . 77 L QB . 16019 1 796 . 1 1 77 77 LEU HB3 H 1 1.408 0.025 . 2 . . . . 77 L QB . 16019 1 797 . 1 1 77 77 LEU HD11 H 1 0.966 0.025 . 2 . . . . 77 L QD1 . 16019 1 798 . 1 1 77 77 LEU HD12 H 1 0.966 0.025 . 2 . . . . 77 L QD1 . 16019 1 799 . 1 1 77 77 LEU HD13 H 1 0.966 0.025 . 2 . . . . 77 L QD1 . 16019 1 800 . 1 1 77 77 LEU HD21 H 1 1.061 0.025 . 2 . . . . 77 L QD2 . 16019 1 801 . 1 1 77 77 LEU HD22 H 1 1.061 0.025 . 2 . . . . 77 L QD2 . 16019 1 802 . 1 1 77 77 LEU HD23 H 1 1.061 0.025 . 2 . . . . 77 L QD2 . 16019 1 803 . 1 1 77 77 LEU HG H 1 1.830 0.025 . 1 . . . . 77 L HG . 16019 1 804 . 1 1 77 77 LEU CA C 13 58.069 0.4 . 1 . . . . 77 L CA . 16019 1 805 . 1 1 77 77 LEU CB C 13 41.113 0.4 . 1 . . . . 77 L CB . 16019 1 806 . 1 1 77 77 LEU CD1 C 13 25.428 0.4 . 2 . . . . 77 L CD1 . 16019 1 807 . 1 1 77 77 LEU CD2 C 13 25.460 0.4 . 2 . . . . 77 L CD2 . 16019 1 808 . 1 1 77 77 LEU CG C 13 27.172 0.4 . 1 . . . . 77 L CG . 16019 1 809 . 1 1 77 77 LEU N N 15 120.558 0.4 . 1 . . . . 77 L N . 16019 1 810 . 1 1 78 78 LYS H H 1 8.606 0.025 . 1 . . . . 78 K H . 16019 1 811 . 1 1 78 78 LYS HA H 1 4.108 0.025 . 1 . . . . 78 K HA . 16019 1 812 . 1 1 78 78 LYS HB2 H 1 2.047 0.025 . 2 . . . . 78 K QB . 16019 1 813 . 1 1 78 78 LYS HB3 H 1 2.047 0.025 . 2 . . . . 78 K QB . 16019 1 814 . 1 1 78 78 LYS HD2 H 1 1.763 0.025 . 2 . . . . 78 K QD . 16019 1 815 . 1 1 78 78 LYS HD3 H 1 1.763 0.025 . 2 . . . . 78 K QD . 16019 1 816 . 1 1 78 78 LYS HE2 H 1 3.041 0.025 . 2 . . . . 78 K QE . 16019 1 817 . 1 1 78 78 LYS HE3 H 1 3.041 0.025 . 2 . . . . 78 K QE . 16019 1 818 . 1 1 78 78 LYS HG2 H 1 1.718 0.025 . 2 . . . . 78 K HG2 . 16019 1 819 . 1 1 78 78 LYS HG3 H 1 1.591 0.025 . 2 . . . . 78 K HG3 . 16019 1 820 . 1 1 78 78 LYS CA C 13 59.571 0.4 . 1 . . . . 78 K CA . 16019 1 821 . 1 1 78 78 LYS CB C 13 31.987 0.4 . 1 . . . . 78 K CB . 16019 1 822 . 1 1 78 78 LYS CD C 13 29.314 0.4 . 1 . . . . 78 K CD . 16019 1 823 . 1 1 78 78 LYS CE C 13 42.115 0.4 . 1 . . . . 78 K CE . 16019 1 824 . 1 1 78 78 LYS CG C 13 25.379 0.4 . 1 . . . . 78 K CG . 16019 1 825 . 1 1 78 78 LYS N N 15 119.739 0.4 . 1 . . . . 78 K N . 16019 1 826 . 1 1 79 79 SER H H 1 7.870 0.025 . 1 . . . . 79 S H . 16019 1 827 . 1 1 79 79 SER HA H 1 4.375 0.025 . 1 . . . . 79 S HA . 16019 1 828 . 1 1 79 79 SER HB2 H 1 4.133 0.025 . 2 . . . . 79 S HB2 . 16019 1 829 . 1 1 79 79 SER HB3 H 1 4.070 0.025 . 2 . . . . 79 S HB3 . 16019 1 830 . 1 1 79 79 SER CA C 13 61.644 0.4 . 1 . . . . 79 S CA . 16019 1 831 . 1 1 79 79 SER CB C 13 62.981 0.4 . 1 . . . . 79 S CB . 16019 1 832 . 1 1 79 79 SER N N 15 115.943 0.4 . 1 . . . . 79 S N . 16019 1 833 . 1 1 80 80 ILE H H 1 8.300 0.025 . 1 . . . . 80 I H . 16019 1 834 . 1 1 80 80 ILE HA H 1 3.918 0.025 . 1 . . . . 80 I HA . 16019 1 835 . 1 1 80 80 ILE HB H 1 1.953 0.025 . 1 . . . . 80 I HB . 16019 1 836 . 1 1 80 80 ILE HD11 H 1 0.755 0.025 . 2 . . . . 80 I QD1 . 16019 1 837 . 1 1 80 80 ILE HD12 H 1 0.755 0.025 . 2 . . . . 80 I QD1 . 16019 1 838 . 1 1 80 80 ILE HD13 H 1 0.755 0.025 . 2 . . . . 80 I QD1 . 16019 1 839 . 1 1 80 80 ILE HG12 H 1 1.165 0.025 . 2 . . . . 80 I HG12 . 16019 1 840 . 1 1 80 80 ILE HG13 H 1 1.625 0.025 . 2 . . . . 80 I HG13 . 16019 1 841 . 1 1 80 80 ILE HG21 H 1 0.932 0.025 . 2 . . . . 80 I QG2 . 16019 1 842 . 1 1 80 80 ILE HG22 H 1 0.932 0.025 . 2 . . . . 80 I QG2 . 16019 1 843 . 1 1 80 80 ILE HG23 H 1 0.932 0.025 . 2 . . . . 80 I QG2 . 16019 1 844 . 1 1 80 80 ILE CA C 13 64.960 0.4 . 1 . . . . 80 I CA . 16019 1 845 . 1 1 80 80 ILE CB C 13 37.550 0.4 . 1 . . . . 80 I CB . 16019 1 846 . 1 1 80 80 ILE CD1 C 13 14.801 0.4 . 1 . . . . 80 I CD1 . 16019 1 847 . 1 1 80 80 ILE CG1 C 13 29.144 0.4 . 1 . . . . 80 I CG1 . 16019 1 848 . 1 1 80 80 ILE CG2 C 13 17.830 0.4 . 1 . . . . 80 I CG2 . 16019 1 849 . 1 1 80 80 ILE N N 15 121.250 0.4 . 1 . . . . 80 I N . 16019 1 850 . 1 1 81 81 SER H H 1 8.678 0.025 . 1 . . . . 81 S H . 16019 1 851 . 1 1 81 81 SER HA H 1 4.424 0.025 . 1 . . . . 81 S HA . 16019 1 852 . 1 1 81 81 SER HB2 H 1 4.109 0.025 . 2 . . . . 81 S HB2 . 16019 1 853 . 1 1 81 81 SER HB3 H 1 4.168 0.025 . 2 . . . . 81 S HB3 . 16019 1 854 . 1 1 81 81 SER CA C 13 61.358 0.4 . 1 . . . . 81 S CA . 16019 1 855 . 1 1 81 81 SER CB C 13 63.199 0.4 . 1 . . . . 81 S CB . 16019 1 856 . 1 1 81 81 SER N N 15 117.064 0.4 . 1 . . . . 81 S N . 16019 1 857 . 1 1 82 82 SER H H 1 8.052 0.025 . 1 . . . . 82 S H . 16019 1 858 . 1 1 82 82 SER HA H 1 4.510 0.025 . 1 . . . . 82 S HA . 16019 1 859 . 1 1 82 82 SER HB2 H 1 4.166 0.025 . 2 . . . . 82 S QB . 16019 1 860 . 1 1 82 82 SER HB3 H 1 4.166 0.025 . 2 . . . . 82 S QB . 16019 1 861 . 1 1 82 82 SER CA C 13 61.073 0.4 . 1 . . . . 82 S CA . 16019 1 862 . 1 1 82 82 SER CB C 13 63.049 0.4 . 1 . . . . 82 S CB . 16019 1 863 . 1 1 82 82 SER N N 15 117.020 0.4 . 1 . . . . 82 S N . 16019 1 864 . 1 1 83 83 SER H H 1 7.740 0.025 . 1 . . . . 83 S H . 16019 1 865 . 1 1 83 83 SER HA H 1 4.785 0.025 . 1 . . . . 83 S HA . 16019 1 866 . 1 1 83 83 SER HB2 H 1 4.041 0.025 . 2 . . . . 83 S HB2 . 16019 1 867 . 1 1 83 83 SER HB3 H 1 4.197 0.025 . 2 . . . . 83 S HB3 . 16019 1 868 . 1 1 83 83 SER CA C 13 57.834 0.4 . 1 . . . . 83 S CA . 16019 1 869 . 1 1 83 83 SER CB C 13 63.716 0.4 . 1 . . . . 83 S CB . 16019 1 870 . 1 1 83 83 SER N N 15 114.806 0.4 . 1 . . . . 83 S N . 16019 1 871 . 1 1 84 84 GLY H H 1 7.978 0.025 . 1 . . . . 84 G H . 16019 1 872 . 1 1 84 84 GLY HA2 H 1 4.032 0.025 . 2 . . . . 84 G HA2 . 16019 1 873 . 1 1 84 84 GLY HA3 H 1 4.309 0.025 . 2 . . . . 84 G HA3 . 16019 1 874 . 1 1 84 84 GLY CA C 13 45.736 0.4 . 1 . . . . 84 G CA . 16019 1 875 . 1 1 84 84 GLY N N 15 109.779 0.4 . 1 . . . . 84 G N . 16019 1 876 . 1 1 85 85 GLY H H 1 7.947 0.025 . 1 . . . . 85 G H . 16019 1 877 . 1 1 85 85 GLY HA2 H 1 4.045 0.025 . 2 . . . . 85 G HA2 . 16019 1 878 . 1 1 85 85 GLY HA3 H 1 4.342 0.025 . 2 . . . . 85 G HA3 . 16019 1 879 . 1 1 85 85 GLY CA C 13 44.399 0.4 . 1 . . . . 85 G CA . 16019 1 880 . 1 1 85 85 GLY N N 15 107.355 0.4 . 1 . . . . 85 G N . 16019 1 881 . 1 1 86 86 PHE H H 1 8.907 0.025 . 1 . . . . 86 F H . 16019 1 882 . 1 1 86 86 PHE HA H 1 4.906 0.025 . 1 . . . . 86 F HA . 16019 1 883 . 1 1 86 86 PHE HB2 H 1 3.207 0.025 . 2 . . . . 86 F HB2 . 16019 1 884 . 1 1 86 86 PHE HB3 H 1 2.900 0.025 . 2 . . . . 86 F HB3 . 16019 1 885 . 1 1 86 86 PHE HD1 H 1 7.262 0.025 . 3 . . . . 86 F QD . 16019 1 886 . 1 1 86 86 PHE HD2 H 1 7.262 0.025 . 3 . . . . 86 F QD . 16019 1 887 . 1 1 86 86 PHE CA C 13 57.595 0.4 . 1 . . . . 86 F CA . 16019 1 888 . 1 1 86 86 PHE CB C 13 43.794 0.4 . 1 . . . . 86 F CB . 16019 1 889 . 1 1 86 86 PHE CD1 C 13 131.699 0.4 . 3 . . . . 86 F CD1 . 16019 1 890 . 1 1 86 86 PHE N N 15 120.938 0.4 . 1 . . . . 86 F N . 16019 1 891 . 1 1 87 87 PHE H H 1 8.090 0.025 . 1 . . . . 87 F H . 16019 1 892 . 1 1 87 87 PHE HA H 1 6.088 0.025 . 1 . . . . 87 F HA . 16019 1 893 . 1 1 87 87 PHE HB2 H 1 3.045 0.025 . 2 . . . . 87 F HB2 . 16019 1 894 . 1 1 87 87 PHE HB3 H 1 2.872 0.025 . 2 . . . . 87 F HB3 . 16019 1 895 . 1 1 87 87 PHE HD1 H 1 7.238 0.025 . 3 . . . . 87 F QD . 16019 1 896 . 1 1 87 87 PHE HD2 H 1 7.238 0.025 . 3 . . . . 87 F QD . 16019 1 897 . 1 1 87 87 PHE HE1 H 1 7.098 0.025 . 3 . . . . 87 F QE . 16019 1 898 . 1 1 87 87 PHE HE2 H 1 7.098 0.025 . 3 . . . . 87 F QE . 16019 1 899 . 1 1 87 87 PHE CA C 13 54.626 0.4 . 1 . . . . 87 F CA . 16019 1 900 . 1 1 87 87 PHE CB C 13 42.929 0.4 . 1 . . . . 87 F CB . 16019 1 901 . 1 1 87 87 PHE CD1 C 13 131.921 0.4 . 3 . . . . 87 F CD1 . 16019 1 902 . 1 1 87 87 PHE CE1 C 13 130.292 0.4 . 3 . . . . 87 F CE1 . 16019 1 903 . 1 1 87 87 PHE N N 15 127.370 0.4 . 1 . . . . 87 F N . 16019 1 904 . 1 1 88 88 ALA H H 1 7.696 0.025 . 1 . . . . 88 A H . 16019 1 905 . 1 1 88 88 ALA HA H 1 4.574 0.025 . 1 . . . . 88 A HA . 16019 1 906 . 1 1 88 88 ALA HB1 H 1 1.259 0.025 . 2 . . . . 88 A QB . 16019 1 907 . 1 1 88 88 ALA HB2 H 1 1.259 0.025 . 2 . . . . 88 A QB . 16019 1 908 . 1 1 88 88 ALA HB3 H 1 1.259 0.025 . 2 . . . . 88 A QB . 16019 1 909 . 1 1 88 88 ALA CA C 13 50.482 0.4 . 1 . . . . 88 A CA . 16019 1 910 . 1 1 88 88 ALA CB C 13 23.544 0.4 . 1 . . . . 88 A CB . 16019 1 911 . 1 1 88 88 ALA N N 15 125.762 0.4 . 1 . . . . 88 A N . 16019 1 912 . 1 1 89 89 LEU H H 1 8.459 0.025 . 1 . . . . 89 L H . 16019 1 913 . 1 1 89 89 LEU HA H 1 5.010 0.025 . 1 . . . . 89 L HA . 16019 1 914 . 1 1 89 89 LEU HB2 H 1 1.864 0.025 . 2 . . . . 89 L HB2 . 16019 1 915 . 1 1 89 89 LEU HB3 H 1 1.268 0.025 . 2 . . . . 89 L HB3 . 16019 1 916 . 1 1 89 89 LEU HD11 H 1 0.792 0.025 . 2 . . . . 89 L QD1 . 16019 1 917 . 1 1 89 89 LEU HD12 H 1 0.792 0.025 . 2 . . . . 89 L QD1 . 16019 1 918 . 1 1 89 89 LEU HD13 H 1 0.792 0.025 . 2 . . . . 89 L QD1 . 16019 1 919 . 1 1 89 89 LEU HD21 H 1 0.916 0.025 . 2 . . . . 89 L QD2 . 16019 1 920 . 1 1 89 89 LEU HD22 H 1 0.916 0.025 . 2 . . . . 89 L QD2 . 16019 1 921 . 1 1 89 89 LEU HD23 H 1 0.916 0.025 . 2 . . . . 89 L QD2 . 16019 1 922 . 1 1 89 89 LEU HG H 1 1.724 0.025 . 1 . . . . 89 L HG . 16019 1 923 . 1 1 89 89 LEU CA C 13 52.853 0.4 . 1 . . . . 89 L CA . 16019 1 924 . 1 1 89 89 LEU CB C 13 43.131 0.4 . 1 . . . . 89 L CB . 16019 1 925 . 1 1 89 89 LEU CD1 C 13 25.869 0.4 . 2 . . . . 89 L CD1 . 16019 1 926 . 1 1 89 89 LEU CD2 C 13 24.786 0.4 . 2 . . . . 89 L CD2 . 16019 1 927 . 1 1 89 89 LEU CG C 13 27.114 0.4 . 1 . . . . 89 L CG . 16019 1 928 . 1 1 89 89 LEU N N 15 119.298 0.4 . 1 . . . . 89 L N . 16019 1 929 . 1 1 90 90 VAL H H 1 8.422 0.025 . 1 . . . . 90 V H . 16019 1 930 . 1 1 90 90 VAL HA H 1 5.072 0.025 . 1 . . . . 90 V HA . 16019 1 931 . 1 1 90 90 VAL HB H 1 1.781 0.025 . 1 . . . . 90 V HB . 16019 1 932 . 1 1 90 90 VAL HG11 H 1 0.800 0.025 . 2 . . . . 90 V QG1 . 16019 1 933 . 1 1 90 90 VAL HG12 H 1 0.800 0.025 . 2 . . . . 90 V QG1 . 16019 1 934 . 1 1 90 90 VAL HG13 H 1 0.800 0.025 . 2 . . . . 90 V QG1 . 16019 1 935 . 1 1 90 90 VAL HG21 H 1 0.531 0.025 . 2 . . . . 90 V QG2 . 16019 1 936 . 1 1 90 90 VAL HG22 H 1 0.531 0.025 . 2 . . . . 90 V QG2 . 16019 1 937 . 1 1 90 90 VAL HG23 H 1 0.531 0.025 . 2 . . . . 90 V QG2 . 16019 1 938 . 1 1 90 90 VAL CA C 13 59.808 0.4 . 1 . . . . 90 V CA . 16019 1 939 . 1 1 90 90 VAL CB C 13 35.307 0.4 . 1 . . . . 90 V CB . 16019 1 940 . 1 1 90 90 VAL CG1 C 13 21.042 0.4 . 2 . . . . 90 V CG1 . 16019 1 941 . 1 1 90 90 VAL CG2 C 13 21.349 0.4 . 2 . . . . 90 V CG2 . 16019 1 942 . 1 1 90 90 VAL N N 15 119.813 0.4 . 1 . . . . 90 V N . 16019 1 943 . 1 1 91 91 SER H H 1 9.069 0.025 . 1 . . . . 91 S H . 16019 1 944 . 1 1 91 91 SER HA H 1 4.342 0.025 . 1 . . . . 91 S HA . 16019 1 945 . 1 1 91 91 SER HB2 H 1 4.111 0.025 . 2 . . . . 91 S HB2 . 16019 1 946 . 1 1 91 91 SER HB3 H 1 3.912 0.025 . 2 . . . . 91 S HB3 . 16019 1 947 . 1 1 91 91 SER CA C 13 57.722 0.4 . 1 . . . . 91 S CA . 16019 1 948 . 1 1 91 91 SER CB C 13 63.257 0.4 . 1 . . . . 91 S CB . 16019 1 949 . 1 1 91 91 SER N N 15 118.818 0.4 . 1 . . . . 91 S N . 16019 1 950 . 1 1 92 92 PRO HA H 1 4.333 0.025 . 1 . . . . 92 P HA . 16019 1 951 . 1 1 92 92 PRO HB2 H 1 2.206 0.025 . 2 . . . . 92 P HB2 . 16019 1 952 . 1 1 92 92 PRO HB3 H 1 1.709 0.025 . 2 . . . . 92 P HB3 . 16019 1 953 . 1 1 92 92 PRO HD2 H 1 3.150 0.025 . 2 . . . . 92 P HD2 . 16019 1 954 . 1 1 92 92 PRO HD3 H 1 3.854 0.025 . 2 . . . . 92 P HD3 . 16019 1 955 . 1 1 92 92 PRO CB C 13 27.282 0.4 . 1 . . . . 92 P CB . 16019 1 956 . 1 1 92 92 PRO CD C 13 49.962 0.4 . 1 . . . . 92 P CD . 16019 1 957 . 1 1 93 93 ASN H H 1 8.724 0.025 . 1 . . . . 93 N H . 16019 1 958 . 1 1 93 93 ASN HA H 1 4.726 0.025 . 1 . . . . 93 N HA . 16019 1 959 . 1 1 93 93 ASN HB2 H 1 3.427 0.025 . 2 . . . . 93 N HB2 . 16019 1 960 . 1 1 93 93 ASN HB3 H 1 3.101 0.025 . 2 . . . . 93 N HB3 . 16019 1 961 . 1 1 93 93 ASN HD21 H 1 7.410 0.025 . 2 . . . . 93 N HD21 . 16019 1 962 . 1 1 93 93 ASN HD22 H 1 7.270 0.025 . 2 . . . . 93 N HD22 . 16019 1 963 . 1 1 93 93 ASN CA C 13 51.760 0.4 . 1 . . . . 93 N CA . 16019 1 964 . 1 1 93 93 ASN CB C 13 38.444 0.4 . 1 . . . . 93 N CB . 16019 1 965 . 1 1 93 93 ASN ND2 N 15 113.050 0.4 . 1 . . . . 93 N ND2 . 16019 1 966 . 1 1 94 94 GLU H H 1 8.724 0.025 . 1 . . . . 94 E H . 16019 1 967 . 1 1 94 94 GLU HA H 1 4.161 0.025 . 1 . . . . 94 E HA . 16019 1 968 . 1 1 94 94 GLU HB2 H 1 2.171 0.025 . 2 . . . . 94 E HB2 . 16019 1 969 . 1 1 94 94 GLU HB3 H 1 2.127 0.025 . 2 . . . . 94 E HB3 . 16019 1 970 . 1 1 94 94 GLU HG2 H 1 2.446 0.025 . 2 . . . . 94 E HG2 . 16019 1 971 . 1 1 94 94 GLU HG3 H 1 2.370 0.025 . 2 . . . . 94 E HG3 . 16019 1 972 . 1 1 94 94 GLU CA C 13 59.729 0.4 . 1 . . . . 94 E CA . 16019 1 973 . 1 1 94 94 GLU CB C 13 29.566 0.4 . 1 . . . . 94 E CB . 16019 1 974 . 1 1 94 94 GLU CG C 13 36.161 0.4 . 1 . . . . 94 E CG . 16019 1 975 . 1 1 94 94 GLU N N 15 117.901 0.4 . 1 . . . . 94 E N . 16019 1 976 . 1 1 95 95 LYS H H 1 7.990 0.025 . 1 . . . . 95 K H . 16019 1 977 . 1 1 95 95 LYS HA H 1 4.135 0.025 . 1 . . . . 95 K HA . 16019 1 978 . 1 1 95 95 LYS HB2 H 1 2.122 0.025 . 2 . . . . 95 K HB2 . 16019 1 979 . 1 1 95 95 LYS HB3 H 1 2.008 0.025 . 2 . . . . 95 K HB3 . 16019 1 980 . 1 1 95 95 LYS HD2 H 1 1.753 0.025 . 2 . . . . 95 K HD2 . 16019 1 981 . 1 1 95 95 LYS HD3 H 1 1.867 0.025 . 2 . . . . 95 K HD3 . 16019 1 982 . 1 1 95 95 LYS HE3 H 1 3.146 0.025 . 2 . . . . 95 K HE3 . 16019 1 983 . 1 1 95 95 LYS HG2 H 1 1.623 0.025 . 2 . . . . 95 K HG2 . 16019 1 984 . 1 1 95 95 LYS HG3 H 1 1.563 0.025 . 2 . . . . 95 K HG3 . 16019 1 985 . 1 1 95 95 LYS CA C 13 59.492 0.4 . 1 . . . . 95 K CA . 16019 1 986 . 1 1 95 95 LYS CB C 13 32.145 0.4 . 1 . . . . 95 K CB . 16019 1 987 . 1 1 95 95 LYS CD C 13 29.362 0.4 . 1 . . . . 95 K CD . 16019 1 988 . 1 1 95 95 LYS CE C 13 42.269 0.4 . 1 . . . . 95 K CE . 16019 1 989 . 1 1 95 95 LYS CG C 13 24.760 0.4 . 1 . . . . 95 K CG . 16019 1 990 . 1 1 95 95 LYS N N 15 119.856 0.4 . 1 . . . . 95 K N . 16019 1 991 . 1 1 96 96 VAL H H 1 8.380 0.025 . 1 . . . . 96 V H . 16019 1 992 . 1 1 96 96 VAL HA H 1 3.732 0.025 . 1 . . . . 96 V HA . 16019 1 993 . 1 1 96 96 VAL HB H 1 2.156 0.025 . 1 . . . . 96 V HB . 16019 1 994 . 1 1 96 96 VAL HG11 H 1 1.118 0.025 . 2 . . . . 96 V QG1 . 16019 1 995 . 1 1 96 96 VAL HG12 H 1 1.118 0.025 . 2 . . . . 96 V QG1 . 16019 1 996 . 1 1 96 96 VAL HG13 H 1 1.118 0.025 . 2 . . . . 96 V QG1 . 16019 1 997 . 1 1 96 96 VAL HG21 H 1 0.926 0.025 . 2 . . . . 96 V QG2 . 16019 1 998 . 1 1 96 96 VAL HG22 H 1 0.926 0.025 . 2 . . . . 96 V QG2 . 16019 1 999 . 1 1 96 96 VAL HG23 H 1 0.926 0.025 . 2 . . . . 96 V QG2 . 16019 1 1000 . 1 1 96 96 VAL CA C 13 65.499 0.4 . 1 . . . . 96 V CA . 16019 1 1001 . 1 1 96 96 VAL CB C 13 31.592 0.4 . 1 . . . . 96 V CB . 16019 1 1002 . 1 1 96 96 VAL CG1 C 13 23.485 0.4 . 2 . . . . 96 V CG1 . 16019 1 1003 . 1 1 96 96 VAL CG2 C 13 21.998 0.4 . 2 . . . . 96 V CG2 . 16019 1 1004 . 1 1 96 96 VAL N N 15 120.320 0.4 . 1 . . . . 96 V N . 16019 1 1005 . 1 1 97 97 GLU H H 1 8.999 0.025 . 1 . . . . 97 E H . 16019 1 1006 . 1 1 97 97 GLU HA H 1 4.156 0.025 . 1 . . . . 97 E HA . 16019 1 1007 . 1 1 97 97 GLU HB2 H 1 2.136 0.025 . 2 . . . . 97 E QB . 16019 1 1008 . 1 1 97 97 GLU HB3 H 1 2.136 0.025 . 2 . . . . 97 E QB . 16019 1 1009 . 1 1 97 97 GLU HG2 H 1 2.393 0.025 . 2 . . . . 97 E HG2 . 16019 1 1010 . 1 1 97 97 GLU HG3 H 1 2.247 0.025 . 2 . . . . 97 E HG3 . 16019 1 1011 . 1 1 97 97 GLU CA C 13 59.808 0.4 . 1 . . . . 97 E CA . 16019 1 1012 . 1 1 97 97 GLU CB C 13 28.905 0.4 . 1 . . . . 97 E CB . 16019 1 1013 . 1 1 97 97 GLU CG C 13 35.512 0.4 . 1 . . . . 97 E CG . 16019 1 1014 . 1 1 97 97 GLU N N 15 120.631 0.4 . 1 . . . . 97 E N . 16019 1 1015 . 1 1 98 98 ARG H H 1 7.804 0.025 . 1 . . . . 98 R H . 16019 1 1016 . 1 1 98 98 ARG HA H 1 4.179 0.025 . 1 . . . . 98 R HA . 16019 1 1017 . 1 1 98 98 ARG HB2 H 1 2.071 0.025 . 2 . . . . 98 R QB . 16019 1 1018 . 1 1 98 98 ARG HB3 H 1 2.071 0.025 . 2 . . . . 98 R QB . 16019 1 1019 . 1 1 98 98 ARG HD2 H 1 3.336 0.025 . 2 . . . . 98 R QD . 16019 1 1020 . 1 1 98 98 ARG HD3 H 1 3.336 0.025 . 2 . . . . 98 R QD . 16019 1 1021 . 1 1 98 98 ARG HG2 H 1 1.895 0.025 . 2 . . . . 98 R HG2 . 16019 1 1022 . 1 1 98 98 ARG HG3 H 1 1.782 0.025 . 2 . . . . 98 R HG3 . 16019 1 1023 . 1 1 98 98 ARG CA C 13 59.505 0.4 . 1 . . . . 98 R CA . 16019 1 1024 . 1 1 98 98 ARG CB C 13 29.694 0.4 . 1 . . . . 98 R CB . 16019 1 1025 . 1 1 98 98 ARG CD C 13 43.448 0.4 . 1 . . . . 98 R CD . 16019 1 1026 . 1 1 98 98 ARG CG C 13 27.379 0.4 . 1 . . . . 98 R CG . 16019 1 1027 . 1 1 98 98 ARG N N 15 117.707 0.4 . 1 . . . . 98 R N . 16019 1 1028 . 1 1 99 99 VAL H H 1 7.436 0.025 . 1 . . . . 99 V H . 16019 1 1029 . 1 1 99 99 VAL HA H 1 3.870 0.025 . 1 . . . . 99 V HA . 16019 1 1030 . 1 1 99 99 VAL HB H 1 2.242 0.025 . 1 . . . . 99 V HB . 16019 1 1031 . 1 1 99 99 VAL HG11 H 1 1.010 0.025 . 2 . . . . 99 V QG1 . 16019 1 1032 . 1 1 99 99 VAL HG12 H 1 1.010 0.025 . 2 . . . . 99 V QG1 . 16019 1 1033 . 1 1 99 99 VAL HG13 H 1 1.010 0.025 . 2 . . . . 99 V QG1 . 16019 1 1034 . 1 1 99 99 VAL HG21 H 1 1.221 0.025 . 2 . . . . 99 V QG2 . 16019 1 1035 . 1 1 99 99 VAL HG22 H 1 1.221 0.025 . 2 . . . . 99 V QG2 . 16019 1 1036 . 1 1 99 99 VAL HG23 H 1 1.221 0.025 . 2 . . . . 99 V QG2 . 16019 1 1037 . 1 1 99 99 VAL CA C 13 65.894 0.4 . 1 . . . . 99 V CA . 16019 1 1038 . 1 1 99 99 VAL CB C 13 31.750 0.4 . 1 . . . . 99 V CB . 16019 1 1039 . 1 1 99 99 VAL CG1 C 13 21.759 0.4 . 2 . . . . 99 V CG1 . 16019 1 1040 . 1 1 99 99 VAL CG2 C 13 22.729 0.4 . 2 . . . . 99 V CG2 . 16019 1 1041 . 1 1 99 99 VAL N N 15 118.862 0.4 . 1 . . . . 99 V N . 16019 1 1042 . 1 1 100 100 LEU H H 1 8.448 0.025 . 1 . . . . 100 L H . 16019 1 1043 . 1 1 100 100 LEU HA H 1 3.913 0.025 . 1 . . . . 100 L HA . 16019 1 1044 . 1 1 100 100 LEU HB2 H 1 2.112 0.025 . 2 . . . . 100 L HB2 . 16019 1 1045 . 1 1 100 100 LEU HB3 H 1 1.283 0.025 . 2 . . . . 100 L HB3 . 16019 1 1046 . 1 1 100 100 LEU HD11 H 1 0.746 0.025 . 2 . . . . 100 L QD1 . 16019 1 1047 . 1 1 100 100 LEU HD12 H 1 0.746 0.025 . 2 . . . . 100 L QD1 . 16019 1 1048 . 1 1 100 100 LEU HD13 H 1 0.746 0.025 . 2 . . . . 100 L QD1 . 16019 1 1049 . 1 1 100 100 LEU HD21 H 1 0.701 0.025 . 2 . . . . 100 L QD2 . 16019 1 1050 . 1 1 100 100 LEU HD22 H 1 0.701 0.025 . 2 . . . . 100 L QD2 . 16019 1 1051 . 1 1 100 100 LEU HD23 H 1 0.701 0.025 . 2 . . . . 100 L QD2 . 16019 1 1052 . 1 1 100 100 LEU HG H 1 1.897 0.025 . 1 . . . . 100 L HG . 16019 1 1053 . 1 1 100 100 LEU CA C 13 57.901 0.4 . 1 . . . . 100 L CA . 16019 1 1054 . 1 1 100 100 LEU CB C 13 41.324 0.4 . 1 . . . . 100 L CB . 16019 1 1055 . 1 1 100 100 LEU CD1 C 13 26.103 0.4 . 2 . . . . 100 L CD1 . 16019 1 1056 . 1 1 100 100 LEU CD2 C 13 23.548 0.4 . 2 . . . . 100 L CD2 . 16019 1 1057 . 1 1 100 100 LEU CG C 13 26.486 0.4 . 1 . . . . 100 L CG . 16019 1 1058 . 1 1 100 100 LEU N N 15 120.874 0.4 . 1 . . . . 100 L N . 16019 1 1059 . 1 1 101 101 SER H H 1 8.076 0.025 . 1 . . . . 101 S H . 16019 1 1060 . 1 1 101 101 SER HA H 1 4.515 0.025 . 1 . . . . 101 S HA . 16019 1 1061 . 1 1 101 101 SER HB2 H 1 4.047 0.025 . 2 . . . . 101 S QB . 16019 1 1062 . 1 1 101 101 SER HB3 H 1 4.047 0.025 . 2 . . . . 101 S QB . 16019 1 1063 . 1 1 101 101 SER CA C 13 60.575 0.4 . 1 . . . . 101 S CA . 16019 1 1064 . 1 1 101 101 SER CB C 13 63.115 0.4 . 1 . . . . 101 S CB . 16019 1 1065 . 1 1 101 101 SER N N 15 112.939 0.4 . 1 . . . . 101 S N . 16019 1 1066 . 1 1 102 102 LEU H H 1 8.255 0.025 . 1 . . . . 102 L H . 16019 1 1067 . 1 1 102 102 LEU HA H 1 4.308 0.025 . 1 . . . . 102 L HA . 16019 1 1068 . 1 1 102 102 LEU HB2 H 1 1.979 0.025 . 2 . . . . 102 L HB2 . 16019 1 1069 . 1 1 102 102 LEU HB3 H 1 1.758 0.025 . 2 . . . . 102 L HB3 . 16019 1 1070 . 1 1 102 102 LEU HD11 H 1 1.001 0.025 . 2 . . . . 102 L QD1 . 16019 1 1071 . 1 1 102 102 LEU HD12 H 1 1.001 0.025 . 2 . . . . 102 L QD1 . 16019 1 1072 . 1 1 102 102 LEU HD13 H 1 1.001 0.025 . 2 . . . . 102 L QD1 . 16019 1 1073 . 1 1 102 102 LEU HD21 H 1 0.992 0.025 . 2 . . . . 102 L QD2 . 16019 1 1074 . 1 1 102 102 LEU HD22 H 1 0.992 0.025 . 2 . . . . 102 L QD2 . 16019 1 1075 . 1 1 102 102 LEU HD23 H 1 0.992 0.025 . 2 . . . . 102 L QD2 . 16019 1 1076 . 1 1 102 102 LEU HG H 1 1.920 0.025 . 1 . . . . 102 L HG . 16019 1 1077 . 1 1 102 102 LEU CA C 13 57.567 0.4 . 1 . . . . 102 L CA . 16019 1 1078 . 1 1 102 102 LEU CB C 13 42.593 0.4 . 1 . . . . 102 L CB . 16019 1 1079 . 1 1 102 102 LEU CD1 C 13 25.064 0.4 . 2 . . . . 102 L CD1 . 16019 1 1080 . 1 1 102 102 LEU CD2 C 13 23.577 0.4 . 2 . . . . 102 L CD2 . 16019 1 1081 . 1 1 102 102 LEU CG C 13 27.039 0.4 . 1 . . . . 102 L CG . 16019 1 1082 . 1 1 102 102 LEU N N 15 122.639 0.4 . 1 . . . . 102 L N . 16019 1 1083 . 1 1 103 103 THR H H 1 7.632 0.025 . 1 . . . . 103 T H . 16019 1 1084 . 1 1 103 103 THR HA H 1 4.412 0.025 . 1 . . . . 103 T HA . 16019 1 1085 . 1 1 103 103 THR HB H 1 4.390 0.025 . 1 . . . . 103 T HB . 16019 1 1086 . 1 1 103 103 THR HG21 H 1 1.337 0.025 . 2 . . . . 103 T QG2 . 16019 1 1087 . 1 1 103 103 THR HG22 H 1 1.337 0.025 . 2 . . . . 103 T QG2 . 16019 1 1088 . 1 1 103 103 THR HG23 H 1 1.337 0.025 . 2 . . . . 103 T QG2 . 16019 1 1089 . 1 1 103 103 THR CA C 13 61.577 0.4 . 1 . . . . 103 T CA . 16019 1 1090 . 1 1 103 103 THR CB C 13 70.467 0.4 . 1 . . . . 103 T CB . 16019 1 1091 . 1 1 103 103 THR CG2 C 13 21.763 0.4 . 1 . . . . 103 T CG2 . 16019 1 1092 . 1 1 103 103 THR N N 15 106.547 0.4 . 1 . . . . 103 T N . 16019 1 1093 . 1 1 104 104 ASN H H 1 8.011 0.025 . 1 . . . . 104 N H . 16019 1 1094 . 1 1 104 104 ASN HA H 1 4.735 0.025 . 1 . . . . 104 N HA . 16019 1 1095 . 1 1 104 104 ASN HB2 H 1 3.108 0.025 . 2 . . . . 104 N QB . 16019 1 1096 . 1 1 104 104 ASN HB3 H 1 3.108 0.025 . 2 . . . . 104 N QB . 16019 1 1097 . 1 1 104 104 ASN HD21 H 1 6.882 0.025 . 2 . . . . 104 N HD21 . 16019 1 1098 . 1 1 104 104 ASN HD22 H 1 7.574 0.025 . 2 . . . . 104 N HD22 . 16019 1 1099 . 1 1 104 104 ASN CA C 13 54.425 0.4 . 1 . . . . 104 N CA . 16019 1 1100 . 1 1 104 104 ASN CB C 13 37.648 0.4 . 1 . . . . 104 N CB . 16019 1 1101 . 1 1 104 104 ASN N N 15 115.503 0.4 . 1 . . . . 104 N N . 16019 1 1102 . 1 1 104 104 ASN ND2 N 15 111.678 0.4 . 1 . . . . 104 N ND2 . 16019 1 1103 . 1 1 105 105 LEU H H 1 8.246 0.025 . 1 . . . . 105 L H . 16019 1 1104 . 1 1 105 105 LEU HA H 1 4.260 0.025 . 1 . . . . 105 L HA . 16019 1 1105 . 1 1 105 105 LEU HB2 H 1 1.514 0.025 . 2 . . . . 105 L HB2 . 16019 1 1106 . 1 1 105 105 LEU HB3 H 1 1.771 0.025 . 2 . . . . 105 L HB3 . 16019 1 1107 . 1 1 105 105 LEU HD11 H 1 0.939 0.025 . 2 . . . . 105 L QD1 . 16019 1 1108 . 1 1 105 105 LEU HD12 H 1 0.939 0.025 . 2 . . . . 105 L QD1 . 16019 1 1109 . 1 1 105 105 LEU HD13 H 1 0.939 0.025 . 2 . . . . 105 L QD1 . 16019 1 1110 . 1 1 105 105 LEU HD21 H 1 0.901 0.025 . 2 . . . . 105 L QD2 . 16019 1 1111 . 1 1 105 105 LEU HD22 H 1 0.901 0.025 . 2 . . . . 105 L QD2 . 16019 1 1112 . 1 1 105 105 LEU HD23 H 1 0.901 0.025 . 2 . . . . 105 L QD2 . 16019 1 1113 . 1 1 105 105 LEU CA C 13 56.765 0.4 . 1 . . . . 105 L CA . 16019 1 1114 . 1 1 105 105 LEU CB C 13 42.526 0.4 . 1 . . . . 105 L CB . 16019 1 1115 . 1 1 105 105 LEU CD1 C 13 25.113 0.4 . 2 . . . . 105 L CD1 . 16019 1 1116 . 1 1 105 105 LEU CD2 C 13 24.168 0.4 . 2 . . . . 105 L CD2 . 16019 1 1117 . 1 1 105 105 LEU CG C 13 27.782 0.4 . 1 . . . . 105 L CG . 16019 1 1118 . 1 1 105 105 LEU N N 15 121.683 0.4 . 1 . . . . 105 L N . 16019 1 1119 . 1 1 106 106 ASP H H 1 8.474 0.025 . 1 . . . . 106 D H . 16019 1 1120 . 1 1 106 106 ASP HA H 1 4.367 0.025 . 1 . . . . 106 D HA . 16019 1 1121 . 1 1 106 106 ASP HB2 H 1 2.443 0.025 . 2 . . . . 106 D HB2 . 16019 1 1122 . 1 1 106 106 ASP HB3 H 1 2.855 0.025 . 2 . . . . 106 D HB3 . 16019 1 1123 . 1 1 106 106 ASP CA C 13 55.273 0.4 . 1 . . . . 106 D CA . 16019 1 1124 . 1 1 106 106 ASP CB C 13 39.179 0.4 . 1 . . . . 106 D CB . 16019 1 1125 . 1 1 106 106 ASP N N 15 116.843 0.4 . 1 . . . . 106 D N . 16019 1 1126 . 1 1 107 107 ARG H H 1 7.553 0.025 . 1 . . . . 107 R H . 16019 1 1127 . 1 1 107 107 ARG HA H 1 4.385 0.025 . 1 . . . . 107 R HA . 16019 1 1128 . 1 1 107 107 ARG HB2 H 1 1.917 0.025 . 2 . . . . 107 R HB2 . 16019 1 1129 . 1 1 107 107 ARG HB3 H 1 2.070 0.025 . 2 . . . . 107 R HB3 . 16019 1 1130 . 1 1 107 107 ARG HD2 H 1 3.250 0.025 . 2 . . . . 107 R QD . 16019 1 1131 . 1 1 107 107 ARG HD3 H 1 3.250 0.025 . 2 . . . . 107 R QD . 16019 1 1132 . 1 1 107 107 ARG HG2 H 1 1.790 0.025 . 2 . . . . 107 R HG2 . 16019 1 1133 . 1 1 107 107 ARG HG3 H 1 1.738 0.025 . 2 . . . . 107 R HG3 . 16019 1 1134 . 1 1 107 107 ARG CA C 13 56.230 0.4 . 1 . . . . 107 R CA . 16019 1 1135 . 1 1 107 107 ARG CB C 13 30.563 0.4 . 1 . . . . 107 R CB . 16019 1 1136 . 1 1 107 107 ARG CD C 13 43.326 0.4 . 1 . . . . 107 R CD . 16019 1 1137 . 1 1 107 107 ARG CG C 13 27.433 0.4 . 1 . . . . 107 R CG . 16019 1 1138 . 1 1 107 107 ARG N N 15 116.759 0.4 . 1 . . . . 107 R N . 16019 1 1139 . 1 1 108 108 ILE H H 1 7.747 0.025 . 1 . . . . 108 I H . 16019 1 1140 . 1 1 108 108 ILE HA H 1 4.454 0.025 . 1 . . . . 108 I HA . 16019 1 1141 . 1 1 108 108 ILE HB H 1 2.083 0.025 . 1 . . . . 108 I HB . 16019 1 1142 . 1 1 108 108 ILE HD11 H 1 0.946 0.025 . 2 . . . . 108 I QD1 . 16019 1 1143 . 1 1 108 108 ILE HD12 H 1 0.946 0.025 . 2 . . . . 108 I QD1 . 16019 1 1144 . 1 1 108 108 ILE HD13 H 1 0.946 0.025 . 2 . . . . 108 I QD1 . 16019 1 1145 . 1 1 108 108 ILE HG12 H 1 1.575 0.025 . 2 . . . . 108 I HG12 . 16019 1 1146 . 1 1 108 108 ILE HG13 H 1 1.331 0.025 . 2 . . . . 108 I HG13 . 16019 1 1147 . 1 1 108 108 ILE HG21 H 1 0.996 0.025 . 2 . . . . 108 I QG2 . 16019 1 1148 . 1 1 108 108 ILE HG22 H 1 0.996 0.025 . 2 . . . . 108 I QG2 . 16019 1 1149 . 1 1 108 108 ILE HG23 H 1 0.996 0.025 . 2 . . . . 108 I QG2 . 16019 1 1150 . 1 1 108 108 ILE CA C 13 61.377 0.4 . 1 . . . . 108 I CA . 16019 1 1151 . 1 1 108 108 ILE CB C 13 40.121 0.4 . 1 . . . . 108 I CB . 16019 1 1152 . 1 1 108 108 ILE CD1 C 13 13.439 0.4 . 1 . . . . 108 I CD1 . 16019 1 1153 . 1 1 108 108 ILE CG1 C 13 27.103 0.4 . 1 . . . . 108 I CG1 . 16019 1 1154 . 1 1 108 108 ILE CG2 C 13 17.824 0.4 . 1 . . . . 108 I CG2 . 16019 1 1155 . 1 1 108 108 ILE N N 15 114.481 0.4 . 1 . . . . 108 I N . 16019 1 1156 . 1 1 109 109 VAL H H 1 7.849 0.025 . 1 . . . . 109 V H . 16019 1 1157 . 1 1 109 109 VAL HA H 1 4.478 0.025 . 1 . . . . 109 V HA . 16019 1 1158 . 1 1 109 109 VAL HB H 1 2.001 0.025 . 1 . . . . 109 V HB . 16019 1 1159 . 1 1 109 109 VAL HG11 H 1 1.016 0.025 . 2 . . . . 109 V QG1 . 16019 1 1160 . 1 1 109 109 VAL HG12 H 1 1.016 0.025 . 2 . . . . 109 V QG1 . 16019 1 1161 . 1 1 109 109 VAL HG13 H 1 1.016 0.025 . 2 . . . . 109 V QG1 . 16019 1 1162 . 1 1 109 109 VAL HG21 H 1 0.936 0.025 . 2 . . . . 109 V QG2 . 16019 1 1163 . 1 1 109 109 VAL HG22 H 1 0.936 0.025 . 2 . . . . 109 V QG2 . 16019 1 1164 . 1 1 109 109 VAL HG23 H 1 0.936 0.025 . 2 . . . . 109 V QG2 . 16019 1 1165 . 1 1 109 109 VAL CA C 13 59.808 0.4 . 1 . . . . 109 V CA . 16019 1 1166 . 1 1 109 109 VAL CB C 13 34.121 0.4 . 1 . . . . 109 V CB . 16019 1 1167 . 1 1 109 109 VAL CG1 C 13 21.766 0.4 . 2 . . . . 109 V CG1 . 16019 1 1168 . 1 1 109 109 VAL CG2 C 13 21.420 0.4 . 2 . . . . 109 V CG2 . 16019 1 1169 . 1 1 109 109 VAL N N 15 119.630 0.4 . 1 . . . . 109 V N . 16019 1 1170 . 1 1 110 110 LYS H H 1 8.583 0.025 . 1 . . . . 110 K H . 16019 1 1171 . 1 1 110 110 LYS HA H 1 4.150 0.025 . 1 . . . . 110 K HA . 16019 1 1172 . 1 1 110 110 LYS HB2 H 1 1.808 0.025 . 2 . . . . 110 K HB2 . 16019 1 1173 . 1 1 110 110 LYS HB3 H 1 1.599 0.025 . 2 . . . . 110 K HB3 . 16019 1 1174 . 1 1 110 110 LYS HD2 H 1 1.619 0.025 . 2 . . . . 110 K HD2 . 16019 1 1175 . 1 1 110 110 LYS HD3 H 1 1.722 0.025 . 2 . . . . 110 K HD3 . 16019 1 1176 . 1 1 110 110 LYS HE2 H 1 2.940 0.025 . 2 . . . . 110 K HE2 . 16019 1 1177 . 1 1 110 110 LYS HE3 H 1 2.874 0.025 . 2 . . . . 110 K HE3 . 16019 1 1178 . 1 1 110 110 LYS HG2 H 1 1.316 0.025 . 2 . . . . 110 K QG . 16019 1 1179 . 1 1 110 110 LYS HG3 H 1 1.316 0.025 . 2 . . . . 110 K QG . 16019 1 1180 . 1 1 110 110 LYS CA C 13 55.963 0.4 . 1 . . . . 110 K CA . 16019 1 1181 . 1 1 110 110 LYS CB C 13 32.835 0.4 . 1 . . . . 110 K CB . 16019 1 1182 . 1 1 110 110 LYS CD C 13 28.586 0.4 . 1 . . . . 110 K CD . 16019 1 1183 . 1 1 110 110 LYS CE C 13 42.346 0.4 . 1 . . . . 110 K CE . 16019 1 1184 . 1 1 110 110 LYS CG C 13 24.972 0.4 . 1 . . . . 110 K CG . 16019 1 1185 . 1 1 110 110 LYS N N 15 125.718 0.4 . 1 . . . . 110 K N . 16019 1 1186 . 1 1 111 111 ILE H H 1 7.730 0.025 . 1 . . . . 111 I H . 16019 1 1187 . 1 1 111 111 ILE HA H 1 4.690 0.025 . 1 . . . . 111 I HA . 16019 1 1188 . 1 1 111 111 ILE HB H 1 1.550 0.025 . 1 . . . . 111 I HB . 16019 1 1189 . 1 1 111 111 ILE HD11 H 1 0.804 0.025 . 2 . . . . 111 I QD1 . 16019 1 1190 . 1 1 111 111 ILE HD12 H 1 0.804 0.025 . 2 . . . . 111 I QD1 . 16019 1 1191 . 1 1 111 111 ILE HD13 H 1 0.804 0.025 . 2 . . . . 111 I QD1 . 16019 1 1192 . 1 1 111 111 ILE HG12 H 1 0.800 0.025 . 2 . . . . 111 I HG12 . 16019 1 1193 . 1 1 111 111 ILE HG13 H 1 0.783 0.025 . 2 . . . . 111 I HG13 . 16019 1 1194 . 1 1 111 111 ILE HG21 H 1 0.665 0.025 . 2 . . . . 111 I QG2 . 16019 1 1195 . 1 1 111 111 ILE HG22 H 1 0.665 0.025 . 2 . . . . 111 I QG2 . 16019 1 1196 . 1 1 111 111 ILE HG23 H 1 0.665 0.025 . 2 . . . . 111 I QG2 . 16019 1 1197 . 1 1 111 111 ILE CA C 13 59.572 0.4 . 1 . . . . 111 I CA . 16019 1 1198 . 1 1 111 111 ILE CB C 13 39.921 0.4 . 1 . . . . 111 I CB . 16019 1 1199 . 1 1 111 111 ILE CD1 C 13 14.610 0.4 . 1 . . . . 111 I CD1 . 16019 1 1200 . 1 1 111 111 ILE CG1 C 13 28.017 0.4 . 1 . . . . 111 I CG1 . 16019 1 1201 . 1 1 111 111 ILE CG2 C 13 17.920 0.4 . 1 . . . . 111 I CG2 . 16019 1 1202 . 1 1 111 111 ILE N N 15 122.473 0.4 . 1 . . . . 111 I N . 16019 1 1203 . 1 1 112 112 TYR H H 1 8.646 0.025 . 1 . . . . 112 Y H . 16019 1 1204 . 1 1 112 112 TYR HA H 1 4.849 0.025 . 1 . . . . 112 Y HA . 16019 1 1205 . 1 1 112 112 TYR HB2 H 1 3.215 0.025 . 2 . . . . 112 Y HB2 . 16019 1 1206 . 1 1 112 112 TYR HB3 H 1 2.446 0.025 . 2 . . . . 112 Y HB3 . 16019 1 1207 . 1 1 112 112 TYR HD1 H 1 6.920 0.025 . 3 . . . . 112 Y QD . 16019 1 1208 . 1 1 112 112 TYR HD2 H 1 6.920 0.025 . 3 . . . . 112 Y QD . 16019 1 1209 . 1 1 112 112 TYR HE1 H 1 6.713 0.025 . 3 . . . . 112 Y QE . 16019 1 1210 . 1 1 112 112 TYR HE2 H 1 6.713 0.025 . 3 . . . . 112 Y QE . 16019 1 1211 . 1 1 112 112 TYR CA C 13 56.297 0.4 . 1 . . . . 112 Y CA . 16019 1 1212 . 1 1 112 112 TYR CB C 13 42.260 0.4 . 1 . . . . 112 Y CB . 16019 1 1213 . 1 1 112 112 TYR CD1 C 13 133.090 0.4 . 3 . . . . 112 Y CD1 . 16019 1 1214 . 1 1 112 112 TYR CE1 C 13 117.843 0.4 . 3 . . . . 112 Y CE1 . 16019 1 1215 . 1 1 112 112 TYR N N 15 124.431 0.4 . 1 . . . . 112 Y N . 16019 1 1216 . 1 1 113 113 ASP H H 1 9.416 0.025 . 1 . . . . 113 D H . 16019 1 1217 . 1 1 113 113 ASP HA H 1 4.638 0.025 . 1 . . . . 113 D HA . 16019 1 1218 . 1 1 113 113 ASP HB2 H 1 3.013 0.025 . 2 . . . . 113 D HB2 . 16019 1 1219 . 1 1 113 113 ASP HB3 H 1 2.835 0.025 . 2 . . . . 113 D HB3 . 16019 1 1220 . 1 1 113 113 ASP CA C 13 56.876 0.4 . 1 . . . . 113 D CA . 16019 1 1221 . 1 1 113 113 ASP CB C 13 41.725 0.4 . 1 . . . . 113 D CB . 16019 1 1222 . 1 1 113 113 ASP N N 15 121.660 0.4 . 1 . . . . 113 D N . 16019 1 1223 . 1 1 114 114 THR H H 1 7.342 0.025 . 1 . . . . 114 T H . 16019 1 1224 . 1 1 114 114 THR HA H 1 4.750 0.025 . 1 . . . . 114 T HA . 16019 1 1225 . 1 1 114 114 THR HB H 1 4.585 0.025 . 1 . . . . 114 T HB . 16019 1 1226 . 1 1 114 114 THR HG21 H 1 1.270 0.025 . 2 . . . . 114 T QG2 . 16019 1 1227 . 1 1 114 114 THR HG22 H 1 1.270 0.025 . 2 . . . . 114 T QG2 . 16019 1 1228 . 1 1 114 114 THR HG23 H 1 1.270 0.025 . 2 . . . . 114 T QG2 . 16019 1 1229 . 1 1 114 114 THR CA C 13 58.605 0.4 . 1 . . . . 114 T CA . 16019 1 1230 . 1 1 114 114 THR CB C 13 73.275 0.4 . 1 . . . . 114 T CB . 16019 1 1231 . 1 1 114 114 THR CG2 C 13 21.752 0.4 . 1 . . . . 114 T CG2 . 16019 1 1232 . 1 1 114 114 THR N N 15 104.399 0.4 . 1 . . . . 114 T N . 16019 1 1233 . 1 1 115 115 ILE H H 1 8.864 0.025 . 1 . . . . 115 I H . 16019 1 1234 . 1 1 115 115 ILE HA H 1 3.623 0.025 . 1 . . . . 115 I HA . 16019 1 1235 . 1 1 115 115 ILE HB H 1 1.901 0.025 . 1 . . . . 115 I HB . 16019 1 1236 . 1 1 115 115 ILE HD11 H 1 0.998 0.025 . 2 . . . . 115 I QD1 . 16019 1 1237 . 1 1 115 115 ILE HD12 H 1 0.998 0.025 . 2 . . . . 115 I QD1 . 16019 1 1238 . 1 1 115 115 ILE HD13 H 1 0.998 0.025 . 2 . . . . 115 I QD1 . 16019 1 1239 . 1 1 115 115 ILE HG12 H 1 1.760 0.025 . 2 . . . . 115 I HG12 . 16019 1 1240 . 1 1 115 115 ILE HG13 H 1 1.151 0.025 . 2 . . . . 115 I HG13 . 16019 1 1241 . 1 1 115 115 ILE HG21 H 1 1.035 0.025 . 2 . . . . 115 I QG2 . 16019 1 1242 . 1 1 115 115 ILE HG22 H 1 1.035 0.025 . 2 . . . . 115 I QG2 . 16019 1 1243 . 1 1 115 115 ILE HG23 H 1 1.035 0.025 . 2 . . . . 115 I QG2 . 16019 1 1244 . 1 1 115 115 ILE CA C 13 63.444 0.4 . 1 . . . . 115 I CA . 16019 1 1245 . 1 1 115 115 ILE CB C 13 37.994 0.4 . 1 . . . . 115 I CB . 16019 1 1246 . 1 1 115 115 ILE CD1 C 13 13.892 0.4 . 1 . . . . 115 I CD1 . 16019 1 1247 . 1 1 115 115 ILE CG1 C 13 29.869 0.4 . 1 . . . . 115 I CG1 . 16019 1 1248 . 1 1 115 115 ILE CG2 C 13 17.716 0.4 . 1 . . . . 115 I CG2 . 16019 1 1249 . 1 1 115 115 ILE N N 15 121.333 0.4 . 1 . . . . 115 I N . 16019 1 1250 . 1 1 116 116 SER H H 1 8.135 0.025 . 1 . . . . 116 S H . 16019 1 1251 . 1 1 116 116 SER HA H 1 4.113 0.025 . 1 . . . . 116 S HA . 16019 1 1252 . 1 1 116 116 SER HB2 H 1 3.922 0.025 . 2 . . . . 116 S QB . 16019 1 1253 . 1 1 116 116 SER HB3 H 1 3.922 0.025 . 2 . . . . 116 S QB . 16019 1 1254 . 1 1 116 116 SER CA C 13 61.777 0.4 . 1 . . . . 116 S CA . 16019 1 1255 . 1 1 116 116 SER CB C 13 62.330 0.4 . 1 . . . . 116 S CB . 16019 1 1256 . 1 1 116 116 SER N N 15 114.946 0.4 . 1 . . . . 116 S N . 16019 1 1257 . 1 1 117 117 GLU H H 1 7.684 0.025 . 1 . . . . 117 E H . 16019 1 1258 . 1 1 117 117 GLU HA H 1 4.012 0.025 . 1 . . . . 117 E HA . 16019 1 1259 . 1 1 117 117 GLU HB2 H 1 2.196 0.025 . 2 . . . . 117 E QB . 16019 1 1260 . 1 1 117 117 GLU HB3 H 1 2.196 0.025 . 2 . . . . 117 E QB . 16019 1 1261 . 1 1 117 117 GLU HG2 H 1 2.403 0.025 . 2 . . . . 117 E QG . 16019 1 1262 . 1 1 117 117 GLU HG3 H 1 2.403 0.025 . 2 . . . . 117 E QG . 16019 1 1263 . 1 1 117 117 GLU CA C 13 58.904 0.4 . 1 . . . . 117 E CA . 16019 1 1264 . 1 1 117 117 GLU CB C 13 30.362 0.4 . 1 . . . . 117 E CB . 16019 1 1265 . 1 1 117 117 GLU CG C 13 36.831 0.4 . 1 . . . . 117 E CG . 16019 1 1266 . 1 1 117 117 GLU N N 15 121.566 0.4 . 1 . . . . 117 E N . 16019 1 1267 . 1 1 118 118 ALA H H 1 6.917 0.025 . 1 . . . . 118 A H . 16019 1 1268 . 1 1 118 118 ALA HA H 1 2.669 0.025 . 1 . . . . 118 A HA . 16019 1 1269 . 1 1 118 118 ALA HB1 H 1 0.258 0.025 . 2 . . . . 118 A QB . 16019 1 1270 . 1 1 118 118 ALA HB2 H 1 0.258 0.025 . 2 . . . . 118 A QB . 16019 1 1271 . 1 1 118 118 ALA HB3 H 1 0.258 0.025 . 2 . . . . 118 A QB . 16019 1 1272 . 1 1 118 118 ALA CA C 13 54.225 0.4 . 1 . . . . 118 A CA . 16019 1 1273 . 1 1 118 118 ALA CB C 13 17.596 0.4 . 1 . . . . 118 A CB . 16019 1 1274 . 1 1 118 118 ALA N N 15 122.331 0.4 . 1 . . . . 118 A N . 16019 1 1275 . 1 1 119 119 MET H H 1 8.405 0.025 . 1 . . . . 119 M H . 16019 1 1276 . 1 1 119 119 MET HA H 1 4.324 0.025 . 1 . . . . 119 M HA . 16019 1 1277 . 1 1 119 119 MET HB2 H 1 2.227 0.025 . 2 . . . . 119 M HB2 . 16019 1 1278 . 1 1 119 119 MET HB3 H 1 2.098 0.025 . 2 . . . . 119 M HB3 . 16019 1 1279 . 1 1 119 119 MET HE1 H 1 1.982 0.025 . 2 . . . . 119 M HE . 16019 1 1280 . 1 1 119 119 MET HE2 H 1 1.982 0.025 . 2 . . . . 119 M HE . 16019 1 1281 . 1 1 119 119 MET HE3 H 1 1.982 0.025 . 2 . . . . 119 M HE . 16019 1 1282 . 1 1 119 119 MET HG2 H 1 2.702 0.025 . 2 . . . . 119 M HG2 . 16019 1 1283 . 1 1 119 119 MET HG3 H 1 2.732 0.025 . 2 . . . . 119 M HG3 . 16019 1 1284 . 1 1 119 119 MET CA C 13 56.297 0.4 . 1 . . . . 119 M CA . 16019 1 1285 . 1 1 119 119 MET CB C 13 31.365 0.4 . 1 . . . . 119 M CB . 16019 1 1286 . 1 1 119 119 MET CE C 13 16.490 0.4 . 1 . . . . 119 M CE . 16019 1 1287 . 1 1 119 119 MET CG C 13 32.829 0.4 . 1 . . . . 119 M CG . 16019 1 1288 . 1 1 119 119 MET N N 15 115.347 0.4 . 1 . . . . 119 M N . 16019 1 1289 . 1 1 120 120 GLU H H 1 7.663 0.025 . 1 . . . . 120 E H . 16019 1 1290 . 1 1 120 120 GLU HA H 1 4.007 0.025 . 1 . . . . 120 E HA . 16019 1 1291 . 1 1 120 120 GLU HB2 H 1 2.053 0.025 . 2 . . . . 120 E HB2 . 16019 1 1292 . 1 1 120 120 GLU HB3 H 1 2.130 0.025 . 2 . . . . 120 E HB3 . 16019 1 1293 . 1 1 120 120 GLU HG2 H 1 2.366 0.025 . 2 . . . . 120 E HG2 . 16019 1 1294 . 1 1 120 120 GLU HG3 H 1 2.444 0.025 . 2 . . . . 120 E HG3 . 16019 1 1295 . 1 1 120 120 GLU CA C 13 58.820 0.4 . 1 . . . . 120 E CA . 16019 1 1296 . 1 1 120 120 GLU CB C 13 29.159 0.4 . 1 . . . . 120 E CB . 16019 1 1297 . 1 1 120 120 GLU CG C 13 36.069 0.4 . 1 . . . . 120 E CG . 16019 1 1298 . 1 1 120 120 GLU N N 15 117.839 0.4 . 1 . . . . 120 E N . 16019 1 1299 . 1 1 121 121 GLU H H 1 7.285 0.025 . 1 . . . . 121 E H . 16019 1 1300 . 1 1 121 121 GLU HA H 1 4.180 0.025 . 1 . . . . 121 E HA . 16019 1 1301 . 1 1 121 121 GLU HB2 H 1 2.060 0.025 . 2 . . . . 121 E HB2 . 16019 1 1302 . 1 1 121 121 GLU HB3 H 1 2.130 0.025 . 2 . . . . 121 E HB3 . 16019 1 1303 . 1 1 121 121 GLU HG2 H 1 2.440 0.025 . 2 . . . . 121 E QG . 16019 1 1304 . 1 1 121 121 GLU HG3 H 1 2.440 0.025 . 2 . . . . 121 E QG . 16019 1 1305 . 1 1 121 121 GLU CA C 13 58.860 0.4 . 1 . . . . 121 E CA . 16019 1 1306 . 1 1 121 121 GLU CB C 13 29.277 0.4 . 1 . . . . 121 E CB . 16019 1 1307 . 1 1 121 121 GLU CG C 13 36.630 0.4 . 1 . . . . 121 E CG . 16019 1 1308 . 1 1 121 121 GLU N N 15 116.864 0.4 . 1 . . . . 121 E N . 16019 1 1309 . 1 1 122 122 VAL H H 1 7.584 0.025 . 1 . . . . 122 V H . 16019 1 1310 . 1 1 122 122 VAL HA H 1 3.605 0.025 . 1 . . . . 122 V HA . 16019 1 1311 . 1 1 122 122 VAL HB H 1 1.886 0.025 . 1 . . . . 122 V HB . 16019 1 1312 . 1 1 122 122 VAL HG11 H 1 0.853 0.025 . 2 . . . . 122 V QG1 . 16019 1 1313 . 1 1 122 122 VAL HG12 H 1 0.853 0.025 . 2 . . . . 122 V QG1 . 16019 1 1314 . 1 1 122 122 VAL HG13 H 1 0.853 0.025 . 2 . . . . 122 V QG1 . 16019 1 1315 . 1 1 122 122 VAL HG21 H 1 0.751 0.025 . 2 . . . . 122 V QG2 . 16019 1 1316 . 1 1 122 122 VAL HG22 H 1 0.751 0.025 . 2 . . . . 122 V QG2 . 16019 1 1317 . 1 1 122 122 VAL HG23 H 1 0.751 0.025 . 2 . . . . 122 V QG2 . 16019 1 1318 . 1 1 122 122 VAL CA C 13 63.516 0.4 . 1 . . . . 122 V CA . 16019 1 1319 . 1 1 122 122 VAL CB C 13 31.565 0.4 . 1 . . . . 122 V CB . 16019 1 1320 . 1 1 122 122 VAL CG1 C 13 21.167 0.4 . 2 . . . . 122 V CG1 . 16019 1 1321 . 1 1 122 122 VAL CG2 C 13 22.588 0.4 . 2 . . . . 122 V CG2 . 16019 1 1322 . 1 1 122 122 VAL N N 15 116.638 0.4 . 1 . . . . 122 V N . 16019 1 1323 . 1 1 123 123 ARG H H 1 7.500 0.025 . 1 . . . . 123 R H . 16019 1 1324 . 1 1 123 123 ARG HA H 1 4.277 0.025 . 1 . . . . 123 R HA . 16019 1 1325 . 1 1 123 123 ARG HB2 H 1 1.972 0.025 . 2 . . . . 123 R HB2 . 16019 1 1326 . 1 1 123 123 ARG HB3 H 1 1.849 0.025 . 2 . . . . 123 R HB3 . 16019 1 1327 . 1 1 123 123 ARG HD2 H 1 3.199 0.025 . 2 . . . . 123 R HD2 . 16019 1 1328 . 1 1 123 123 ARG HE H 1 7.295 0.025 . 1 . . . . 123 R HE . 16019 1 1329 . 1 1 123 123 ARG HG2 H 1 1.792 0.025 . 2 . . . . 123 R HG2 . 16019 1 1330 . 1 1 123 123 ARG HG3 H 1 1.703 0.025 . 2 . . . . 123 R HG3 . 16019 1 1331 . 1 1 123 123 ARG CA C 13 56.330 0.4 . 1 . . . . 123 R CA . 16019 1 1332 . 1 1 123 123 ARG CB C 13 30.485 0.4 . 1 . . . . 123 R CB . 16019 1 1333 . 1 1 123 123 ARG CD C 13 43.530 0.4 . 1 . . . . 123 R CD . 16019 1 1334 . 1 1 123 123 ARG CG C 13 27.651 0.4 . 1 . . . . 123 R CG . 16019 1 1335 . 1 1 123 123 ARG N N 15 119.036 0.4 . 1 . . . . 123 R N . 16019 1 1336 . 1 1 123 123 ARG NE N 15 85.112 0.4 . 1 . . . . 123 R NE . 16019 1 1337 . 1 1 124 124 ARG H H 1 7.640 0.025 . 1 . . . . 124 R H . 16019 1 1338 . 1 1 124 124 ARG HA H 1 4.330 0.025 . 1 . . . . 124 R HA . 16019 1 1339 . 1 1 124 124 ARG HB2 H 1 1.933 0.025 . 2 . . . . 124 R HB2 . 16019 1 1340 . 1 1 124 124 ARG HB3 H 1 1.970 0.025 . 2 . . . . 124 R HB3 . 16019 1 1341 . 1 1 124 124 ARG HD2 H 1 3.298 0.025 . 2 . . . . 124 R QD . 16019 1 1342 . 1 1 124 124 ARG HD3 H 1 3.298 0.025 . 2 . . . . 124 R QD . 16019 1 1343 . 1 1 124 124 ARG HG2 H 1 1.825 0.025 . 2 . . . . 124 R HG2 . 16019 1 1344 . 1 1 124 124 ARG HG3 H 1 1.749 0.025 . 2 . . . . 124 R HG3 . 16019 1 1345 . 1 1 124 124 ARG CA C 13 56.564 0.4 . 1 . . . . 124 R CA . 16019 1 1346 . 1 1 124 124 ARG CB C 13 30.563 0.4 . 1 . . . . 124 R CB . 16019 1 1347 . 1 1 124 124 ARG CD C 13 43.590 0.4 . 1 . . . . 124 R CD . 16019 1 1348 . 1 1 124 124 ARG CG C 13 27.500 0.4 . 1 . . . . 124 R CG . 16019 1 1349 . 1 1 124 124 ARG N N 15 120.733 0.4 . 1 . . . . 124 R N . 16019 1 1350 . 1 1 125 125 LYS H H 1 7.761 0.025 . 1 . . . . 125 K H . 16019 1 1351 . 1 1 125 125 LYS HA H 1 4.245 0.025 . 1 . . . . 125 K HA . 16019 1 1352 . 1 1 125 125 LYS HB2 H 1 1.930 0.025 . 2 . . . . 125 K HB2 . 16019 1 1353 . 1 1 125 125 LYS HB3 H 1 1.809 0.025 . 2 . . . . 125 K HB3 . 16019 1 1354 . 1 1 125 125 LYS HD2 H 1 1.749 0.025 . 2 . . . . 125 K QD . 16019 1 1355 . 1 1 125 125 LYS HD3 H 1 1.749 0.025 . 2 . . . . 125 K QD . 16019 1 1356 . 1 1 125 125 LYS HE2 H 1 3.096 0.025 . 2 . . . . 125 K QE . 16019 1 1357 . 1 1 125 125 LYS HE3 H 1 3.096 0.025 . 2 . . . . 125 K QE . 16019 1 1358 . 1 1 125 125 LYS HG2 H 1 1.510 0.025 . 2 . . . . 125 K HG2 . 16019 1 1359 . 1 1 125 125 LYS CA C 13 57.634 0.4 . 1 . . . . 125 K CA . 16019 1 1360 . 1 1 125 125 LYS CB C 13 33.638 0.4 . 1 . . . . 125 K CB . 16019 1 1361 . 1 1 125 125 LYS CG C 13 24.758 0.4 . 1 . . . . 125 K CG . 16019 1 1362 . 1 1 125 125 LYS N N 15 127.647 0.4 . 1 . . . . 125 K N . 16019 1 stop_ save_