data_18364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18364 _Entry.Title ; NMR structure of the protein YP_001300941.1 from Bacteroides vulgatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-29 _Entry.Accession_date 2012-03-29 _Entry.Last_release_date 2012-04-30 _Entry.Original_release_date 2012-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 18364 2 Pedro Serrano . . . 18364 3 Michael Geralt . . . 18364 4 Kurt Wuthrich . . . 18364 5 JCSG JCSG . . . 18364 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:Biology 'Joint Center for Structural Genomics' . 18364 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Domain of Unknown function (DUF4425)' . 18364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 18364 '15N chemical shifts' 130 18364 '1H chemical shifts' 790 18364 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 . . 2012-04-30 2012-03-29 original author . 18364 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRG 'BMRB Entry Tracking System' 18364 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein YP_001300941.1 from Bacteroides vulgatus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 18364 1 2 Pedro Serrano . . . 18364 1 3 Michael Geralt . . . 18364 1 4 Kurt Wuthrich . . . 18364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_GS13500A_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode GS13500A_assembly _Assembly.Entry_ID 18364 _Assembly.ID 1 _Assembly.Name GS13500A_assembly _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 GS13500A 1 $GS13500A A . yes native no no . . . 18364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GS13500A _Entity.Sf_category entity _Entity.Sf_framecode GS13500A _Entity.Entry_ID 18364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GS13500A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GASDFQTGIHKIVIQQSGDT DSFEVSVSIGGADKGGPAKL YNDKGEYIGDSYSAQIRTAT MSCCTNGNAFFMTCAGSVSS ISEAGKRLHITVIGYIDDKE VNRLEKEYITDGNTLIETFS VSTKEI ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13488.005 _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 2LRG . "Nmr Structure Of The Protein Yp_001300941.1 From Bacteroides Vulgatus" . . . . . 100.00 126 100.00 100.00 1.16e-84 . . . . 18364 1 2 no PDB 3U6G . "Crystal Structure Of A Domain Of Unknown Function, Duf4425 (Bvu_3708) From Bacteroides Vulgatus Atcc 8482 At 1.35 A Resolution" . . . . . 100.00 126 98.41 98.41 2.70e-82 . . . . 18364 1 3 no EMBL CBW24855 . "putative lipoprotein [Bacteroides fragilis 638R]" . . . . . 99.21 172 100.00 100.00 1.09e-83 . . . . 18364 1 4 no EMBL CUO17365 . "putative lipoprotein [Bacteroides vulgatus]" . . . . . 99.21 154 100.00 100.00 1.12e-83 . . . . 18364 1 5 no EMBL CUQ42974 . "putative lipoprotein [Bacteroides caccae]" . . . . . 99.21 154 98.40 98.40 3.85e-81 . . . . 18364 1 6 no GB ABR41319 . "hypothetical protein BVU_3708 [Bacteroides vulgatus ATCC 8482]" . . . . . 99.21 154 100.00 100.00 1.12e-83 . . . . 18364 1 7 no GB ALK85811 . "hypothetical protein BvMPK_3241 [Bacteroides vulgatus]" . . . . . 99.21 172 100.00 100.00 1.09e-83 . . . . 18364 1 8 no GB EES67826 . "hypothetical protein BSIG_3217 [Bacteroides sp. 1_1_6]" . . . . . 96.03 152 98.35 99.17 4.73e-78 . . . . 18364 1 9 no GB EFI05346 . "conserved hypothetical protein [Bacteroides sp. 1_1_14]" . . . . . 96.03 152 98.35 99.17 5.69e-78 . . . . 18364 1 10 no GB EFI12350 . "conserved hypothetical protein [Bacteroides sp. D22]" . . . . . 99.21 154 99.20 99.20 5.97e-82 . . . . 18364 1 11 no REF WP_005805239 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 99.21 154 98.40 98.40 3.85e-81 . . . . 18364 1 12 no REF WP_005823213 . "hypothetical protein [Bacteroides fragilis]" . . . . . 99.21 154 99.20 99.20 7.34e-82 . . . . 18364 1 13 no REF WP_008640853 . "hypothetical protein [Bacteroides sp. 1_1_30]" . . . . . 99.21 154 98.40 98.40 2.72e-81 . . . . 18364 1 14 no REF WP_008766551 . "hypothetical protein [Bacteroides sp. 1_1_6]" . . . . . 96.03 152 98.35 99.17 4.73e-78 . . . . 18364 1 15 no REF WP_009040585 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 99.21 154 99.20 99.20 5.97e-82 . . . . 18364 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18364 1 2 . ALA . 18364 1 3 . SER . 18364 1 4 . ASP . 18364 1 5 . PHE . 18364 1 6 . GLN . 18364 1 7 . THR . 18364 1 8 . GLY . 18364 1 9 . ILE . 18364 1 10 . HIS . 18364 1 11 . LYS . 18364 1 12 . ILE . 18364 1 13 . VAL . 18364 1 14 . ILE . 18364 1 15 . GLN . 18364 1 16 . GLN . 18364 1 17 . SER . 18364 1 18 . GLY . 18364 1 19 . ASP . 18364 1 20 . THR . 18364 1 21 . ASP . 18364 1 22 . SER . 18364 1 23 . PHE . 18364 1 24 . GLU . 18364 1 25 . VAL . 18364 1 26 . SER . 18364 1 27 . VAL . 18364 1 28 . SER . 18364 1 29 . ILE . 18364 1 30 . GLY . 18364 1 31 . GLY . 18364 1 32 . ALA . 18364 1 33 . ASP . 18364 1 34 . LYS . 18364 1 35 . GLY . 18364 1 36 . GLY . 18364 1 37 . PRO . 18364 1 38 . ALA . 18364 1 39 . LYS . 18364 1 40 . LEU . 18364 1 41 . TYR . 18364 1 42 . ASN . 18364 1 43 . ASP . 18364 1 44 . LYS . 18364 1 45 . GLY . 18364 1 46 . GLU . 18364 1 47 . TYR . 18364 1 48 . ILE . 18364 1 49 . GLY . 18364 1 50 . ASP . 18364 1 51 . SER . 18364 1 52 . TYR . 18364 1 53 . SER . 18364 1 54 . ALA . 18364 1 55 . GLN . 18364 1 56 . ILE . 18364 1 57 . ARG . 18364 1 58 . THR . 18364 1 59 . ALA . 18364 1 60 . THR . 18364 1 61 . MET . 18364 1 62 . SER . 18364 1 63 . CYS . 18364 1 64 . CYS . 18364 1 65 . THR . 18364 1 66 . ASN . 18364 1 67 . GLY . 18364 1 68 . ASN . 18364 1 69 . ALA . 18364 1 70 . PHE . 18364 1 71 . PHE . 18364 1 72 . MET . 18364 1 73 . THR . 18364 1 74 . CYS . 18364 1 75 . ALA . 18364 1 76 . GLY . 18364 1 77 . SER . 18364 1 78 . VAL . 18364 1 79 . SER . 18364 1 80 . SER . 18364 1 81 . ILE . 18364 1 82 . SER . 18364 1 83 . GLU . 18364 1 84 . ALA . 18364 1 85 . GLY . 18364 1 86 . LYS . 18364 1 87 . ARG . 18364 1 88 . LEU . 18364 1 89 . HIS . 18364 1 90 . ILE . 18364 1 91 . THR . 18364 1 92 . VAL . 18364 1 93 . ILE . 18364 1 94 . GLY . 18364 1 95 . TYR . 18364 1 96 . ILE . 18364 1 97 . ASP . 18364 1 98 . ASP . 18364 1 99 . LYS . 18364 1 100 . GLU . 18364 1 101 . VAL . 18364 1 102 . ASN . 18364 1 103 . ARG . 18364 1 104 . LEU . 18364 1 105 . GLU . 18364 1 106 . LYS . 18364 1 107 . GLU . 18364 1 108 . TYR . 18364 1 109 . ILE . 18364 1 110 . THR . 18364 1 111 . ASP . 18364 1 112 . GLY . 18364 1 113 . ASN . 18364 1 114 . THR . 18364 1 115 . LEU . 18364 1 116 . ILE . 18364 1 117 . GLU . 18364 1 118 . THR . 18364 1 119 . PHE . 18364 1 120 . SER . 18364 1 121 . VAL . 18364 1 122 . SER . 18364 1 123 . THR . 18364 1 124 . LYS . 18364 1 125 . GLU . 18364 1 126 . ILE . 18364 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18364 1 . ALA 2 2 18364 1 . SER 3 3 18364 1 . ASP 4 4 18364 1 . PHE 5 5 18364 1 . GLN 6 6 18364 1 . THR 7 7 18364 1 . GLY 8 8 18364 1 . ILE 9 9 18364 1 . HIS 10 10 18364 1 . LYS 11 11 18364 1 . ILE 12 12 18364 1 . VAL 13 13 18364 1 . ILE 14 14 18364 1 . GLN 15 15 18364 1 . GLN 16 16 18364 1 . SER 17 17 18364 1 . GLY 18 18 18364 1 . ASP 19 19 18364 1 . THR 20 20 18364 1 . ASP 21 21 18364 1 . SER 22 22 18364 1 . PHE 23 23 18364 1 . GLU 24 24 18364 1 . VAL 25 25 18364 1 . SER 26 26 18364 1 . VAL 27 27 18364 1 . SER 28 28 18364 1 . ILE 29 29 18364 1 . GLY 30 30 18364 1 . GLY 31 31 18364 1 . ALA 32 32 18364 1 . ASP 33 33 18364 1 . LYS 34 34 18364 1 . GLY 35 35 18364 1 . GLY 36 36 18364 1 . PRO 37 37 18364 1 . ALA 38 38 18364 1 . LYS 39 39 18364 1 . LEU 40 40 18364 1 . TYR 41 41 18364 1 . ASN 42 42 18364 1 . ASP 43 43 18364 1 . LYS 44 44 18364 1 . GLY 45 45 18364 1 . GLU 46 46 18364 1 . TYR 47 47 18364 1 . ILE 48 48 18364 1 . GLY 49 49 18364 1 . ASP 50 50 18364 1 . SER 51 51 18364 1 . TYR 52 52 18364 1 . SER 53 53 18364 1 . ALA 54 54 18364 1 . GLN 55 55 18364 1 . ILE 56 56 18364 1 . ARG 57 57 18364 1 . THR 58 58 18364 1 . ALA 59 59 18364 1 . THR 60 60 18364 1 . MET 61 61 18364 1 . SER 62 62 18364 1 . CYS 63 63 18364 1 . CYS 64 64 18364 1 . THR 65 65 18364 1 . ASN 66 66 18364 1 . GLY 67 67 18364 1 . ASN 68 68 18364 1 . ALA 69 69 18364 1 . PHE 70 70 18364 1 . PHE 71 71 18364 1 . MET 72 72 18364 1 . THR 73 73 18364 1 . CYS 74 74 18364 1 . ALA 75 75 18364 1 . GLY 76 76 18364 1 . SER 77 77 18364 1 . VAL 78 78 18364 1 . SER 79 79 18364 1 . SER 80 80 18364 1 . ILE 81 81 18364 1 . SER 82 82 18364 1 . GLU 83 83 18364 1 . ALA 84 84 18364 1 . GLY 85 85 18364 1 . LYS 86 86 18364 1 . ARG 87 87 18364 1 . LEU 88 88 18364 1 . HIS 89 89 18364 1 . ILE 90 90 18364 1 . THR 91 91 18364 1 . VAL 92 92 18364 1 . ILE 93 93 18364 1 . GLY 94 94 18364 1 . TYR 95 95 18364 1 . ILE 96 96 18364 1 . ASP 97 97 18364 1 . ASP 98 98 18364 1 . LYS 99 99 18364 1 . GLU 100 100 18364 1 . VAL 101 101 18364 1 . ASN 102 102 18364 1 . ARG 103 103 18364 1 . LEU 104 104 18364 1 . GLU 105 105 18364 1 . LYS 106 106 18364 1 . GLU 107 107 18364 1 . TYR 108 108 18364 1 . ILE 109 109 18364 1 . THR 110 110 18364 1 . ASP 111 111 18364 1 . GLY 112 112 18364 1 . ASN 113 113 18364 1 . THR 114 114 18364 1 . LEU 115 115 18364 1 . ILE 116 116 18364 1 . GLU 117 117 18364 1 . THR 118 118 18364 1 . PHE 119 119 18364 1 . SER 120 120 18364 1 . VAL 121 121 18364 1 . SER 122 122 18364 1 . THR 123 123 18364 1 . LYS 124 124 18364 1 . GLU 125 125 18364 1 . ILE 126 126 18364 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 18364 _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 $GS13500A . 821 organism . 'Bacteroides vulgates' 'Bacteroides vulgates' . . Bacteria . Bacteroides vulgates . . . . . . . . . . . . . . . . . . . . . 18364 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 18364 _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 $GS13500A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . SpeedET . . . . . . 18364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GS13500A '[U-98% 13C; U-98% 15N]' . . 1 $GS13500A . . 1.2 . . mM . . . . 18364 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18364 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18364 1 4 H2O 'natural abundance' . . . . . . 95 . . mM . . . . 18364 1 5 D2O '[U-99% 2H]' . . . . . . 5 . . mM . . . . 18364 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 18364 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 . M 18364 1 pH 6.0 . pH 18364 1 pressure 1 . atm 18364 1 temperature 298 . K 18364 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18364 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18364 1 processing 18364 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18364 _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' . . 18364 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18364 2 'data analysis' 18364 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18364 _Software.ID 3 _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' . . 18364 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18364 3 'structure solution' 18364 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18364 _Software.ID 4 _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' . . 18364 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18364 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18364 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Unio)-Herrmann and Wuthrich' . . 18364 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18364 5 'structure solution' 18364 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 18364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18364 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18364 _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 . 600 . . . 18364 1 2 spectrometer_2 Bruker Avance . 800 . . . 18364 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 18364 _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 . . . . . . . . . . . . . . . . 18364 1 2 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18364 1 3 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18364 1 4 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18364 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18364 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18364 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18364 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 18364 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18364 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18364 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18364 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 18364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.13 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18364 1 2 '4D APSY-HACANH' . . . 18364 1 3 '5D APSY-HACACONH' . . . 18364 1 4 '5D APSY-CBCACONH' . . . 18364 1 5 '3D 1H-15N NOESY' . . . 18364 1 6 '3D 1H-13C NOESY aliphatic' . . . 18364 1 7 '3D 1H-13C NOESY aromatic' . . . 18364 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA CA C 13 50.698 0.160 . 1 . . . A 2 ALA CA . 18364 1 2 . 1 1 2 2 ALA CB C 13 16.688 0.160 . 1 . . . A 2 ALA CB . 18364 1 3 . 1 1 3 3 SER H H 1 8.301 0.006 . 1 . . . A 3 SER H . 18364 1 4 . 1 1 3 3 SER HA H 1 4.296 0.006 . 1 . . . A 3 SER HA . 18364 1 5 . 1 1 3 3 SER HB2 H 1 3.696 0.006 . 2 . . . A 3 SER HB2 . 18364 1 6 . 1 1 3 3 SER HB3 H 1 3.745 0.006 . 2 . . . A 3 SER HB3 . 18364 1 7 . 1 1 3 3 SER CA C 13 55.573 0.160 . 1 . . . A 3 SER CA . 18364 1 8 . 1 1 3 3 SER CB C 13 60.888 0.160 . 1 . . . A 3 SER CB . 18364 1 9 . 1 1 3 3 SER N N 15 113.663 0.130 . 1 . . . A 3 SER N . 18364 1 10 . 1 1 4 4 ASP H H 1 7.874 0.006 . 1 . . . A 4 ASP H . 18364 1 11 . 1 1 4 4 ASP HA H 1 4.394 0.006 . 1 . . . A 4 ASP HA . 18364 1 12 . 1 1 4 4 ASP HB2 H 1 2.377 0.006 . 2 . . . A 4 ASP QB . 18364 1 13 . 1 1 4 4 ASP HB3 H 1 2.377 0.006 . 2 . . . A 4 ASP QB . 18364 1 14 . 1 1 4 4 ASP CA C 13 51.748 0.160 . 1 . . . A 4 ASP CA . 18364 1 15 . 1 1 4 4 ASP CB C 13 38.614 0.160 . 1 . . . A 4 ASP CB . 18364 1 16 . 1 1 4 4 ASP N N 15 121.532 0.130 . 1 . . . A 4 ASP N . 18364 1 17 . 1 1 5 5 PHE H H 1 7.832 0.006 . 1 . . . A 5 PHE H . 18364 1 18 . 1 1 5 5 PHE HA H 1 4.535 0.006 . 1 . . . A 5 PHE HA . 18364 1 19 . 1 1 5 5 PHE HB2 H 1 3.060 0.006 . 2 . . . A 5 PHE HB2 . 18364 1 20 . 1 1 5 5 PHE HB3 H 1 2.668 0.006 . 2 . . . A 5 PHE HB3 . 18364 1 21 . 1 1 5 5 PHE HD1 H 1 6.948 0.006 . 3 . . . A 5 PHE QD . 18364 1 22 . 1 1 5 5 PHE HD2 H 1 6.948 0.006 . 3 . . . A 5 PHE QD . 18364 1 23 . 1 1 5 5 PHE HE1 H 1 7.139 0.006 . 3 . . . A 5 PHE QE . 18364 1 24 . 1 1 5 5 PHE HE2 H 1 7.139 0.006 . 3 . . . A 5 PHE QE . 18364 1 25 . 1 1 5 5 PHE CA C 13 54.589 0.160 . 1 . . . A 5 PHE CA . 18364 1 26 . 1 1 5 5 PHE CB C 13 37.079 0.160 . 1 . . . A 5 PHE CB . 18364 1 27 . 1 1 5 5 PHE CD1 C 13 128.850 0.160 . 3 . . . A 5 PHE CD1 . 18364 1 28 . 1 1 5 5 PHE CD2 C 13 128.845 0.160 . 3 . . . A 5 PHE CD2 . 18364 1 29 . 1 1 5 5 PHE CE1 C 13 128.710 0.160 . 3 . . . A 5 PHE CE1 . 18364 1 30 . 1 1 5 5 PHE CE2 C 13 128.713 0.160 . 3 . . . A 5 PHE CE2 . 18364 1 31 . 1 1 5 5 PHE N N 15 119.126 0.130 . 1 . . . A 5 PHE N . 18364 1 32 . 1 1 6 6 GLN H H 1 8.447 0.006 . 1 . . . A 6 GLN H . 18364 1 33 . 1 1 6 6 GLN HA H 1 4.417 0.006 . 1 . . . A 6 GLN HA . 18364 1 34 . 1 1 6 6 GLN HB2 H 1 2.078 0.006 . 2 . . . A 6 GLN HB2 . 18364 1 35 . 1 1 6 6 GLN HB3 H 1 1.961 0.006 . 2 . . . A 6 GLN HB3 . 18364 1 36 . 1 1 6 6 GLN HG2 H 1 2.291 0.006 . 2 . . . A 6 GLN HG2 . 18364 1 37 . 1 1 6 6 GLN HG3 H 1 2.328 0.006 . 2 . . . A 6 GLN HG3 . 18364 1 38 . 1 1 6 6 GLN HE21 H 1 7.581 0.006 . 2 . . . A 6 GLN HE21 . 18364 1 39 . 1 1 6 6 GLN HE22 H 1 6.778 0.006 . 2 . . . A 6 GLN HE22 . 18364 1 40 . 1 1 6 6 GLN CA C 13 53.128 0.160 . 1 . . . A 6 GLN CA . 18364 1 41 . 1 1 6 6 GLN CB C 13 27.477 0.160 . 1 . . . A 6 GLN CB . 18364 1 42 . 1 1 6 6 GLN CG C 13 31.511 0.160 . 1 . . . A 6 GLN CG . 18364 1 43 . 1 1 6 6 GLN N N 15 122.092 0.130 . 1 . . . A 6 GLN N . 18364 1 44 . 1 1 6 6 GLN NE2 N 15 112.759 0.130 . 1 . . . A 6 GLN NE2 . 18364 1 45 . 1 1 7 7 THR H H 1 8.145 0.006 . 1 . . . A 7 THR H . 18364 1 46 . 1 1 7 7 THR HA H 1 5.035 0.006 . 1 . . . A 7 THR HA . 18364 1 47 . 1 1 7 7 THR HB H 1 4.256 0.006 . 1 . . . A 7 THR HB . 18364 1 48 . 1 1 7 7 THR HG21 H 1 1.119 0.006 . 1 . . . A 7 THR QG2 . 18364 1 49 . 1 1 7 7 THR HG22 H 1 1.119 0.006 . 1 . . . A 7 THR QG2 . 18364 1 50 . 1 1 7 7 THR HG23 H 1 1.119 0.006 . 1 . . . A 7 THR QG2 . 18364 1 51 . 1 1 7 7 THR CA C 13 57.906 0.160 . 1 . . . A 7 THR CA . 18364 1 52 . 1 1 7 7 THR CB C 13 68.370 0.160 . 1 . . . A 7 THR CB . 18364 1 53 . 1 1 7 7 THR CG2 C 13 19.636 0.160 . 1 . . . A 7 THR CG2 . 18364 1 54 . 1 1 7 7 THR N N 15 114.717 0.130 . 1 . . . A 7 THR N . 18364 1 55 . 1 1 8 8 GLY H H 1 9.234 0.006 . 1 . . . A 8 GLY H . 18364 1 56 . 1 1 8 8 GLY HA2 H 1 3.989 0.006 . 2 . . . A 8 GLY HA2 . 18364 1 57 . 1 1 8 8 GLY HA3 H 1 3.898 0.006 . 2 . . . A 8 GLY HA3 . 18364 1 58 . 1 1 8 8 GLY CA C 13 43.774 0.160 . 1 . . . A 8 GLY CA . 18364 1 59 . 1 1 8 8 GLY N N 15 111.628 0.130 . 1 . . . A 8 GLY N . 18364 1 60 . 1 1 9 9 ILE H H 1 8.603 0.006 . 1 . . . A 9 ILE H . 18364 1 61 . 1 1 9 9 ILE HA H 1 3.934 0.006 . 1 . . . A 9 ILE HA . 18364 1 62 . 1 1 9 9 ILE HB H 1 1.691 0.006 . 1 . . . A 9 ILE HB . 18364 1 63 . 1 1 9 9 ILE HG12 H 1 1.513 0.006 . 2 . . . A 9 ILE HG12 . 18364 1 64 . 1 1 9 9 ILE HG13 H 1 0.735 0.006 . 2 . . . A 9 ILE HG13 . 18364 1 65 . 1 1 9 9 ILE HG21 H 1 0.789 0.006 . 1 . . . A 9 ILE QG2 . 18364 1 66 . 1 1 9 9 ILE HG22 H 1 0.789 0.006 . 1 . . . A 9 ILE QG2 . 18364 1 67 . 1 1 9 9 ILE HG23 H 1 0.789 0.006 . 1 . . . A 9 ILE QG2 . 18364 1 68 . 1 1 9 9 ILE HD11 H 1 0.735 0.006 . 1 . . . A 9 ILE QD1 . 18364 1 69 . 1 1 9 9 ILE HD12 H 1 0.735 0.006 . 1 . . . A 9 ILE QD1 . 18364 1 70 . 1 1 9 9 ILE HD13 H 1 0.735 0.006 . 1 . . . A 9 ILE QD1 . 18364 1 71 . 1 1 9 9 ILE CA C 13 58.907 0.160 . 1 . . . A 9 ILE CA . 18364 1 72 . 1 1 9 9 ILE CB C 13 35.738 0.160 . 1 . . . A 9 ILE CB . 18364 1 73 . 1 1 9 9 ILE CG1 C 13 25.131 0.160 . 1 . . . A 9 ILE CG1 . 18364 1 74 . 1 1 9 9 ILE CG2 C 13 14.473 0.160 . 1 . . . A 9 ILE CG2 . 18364 1 75 . 1 1 9 9 ILE CD1 C 13 11.026 0.160 . 1 . . . A 9 ILE CD1 . 18364 1 76 . 1 1 9 9 ILE N N 15 119.585 0.130 . 1 . . . A 9 ILE N . 18364 1 77 . 1 1 10 10 HIS H H 1 8.599 0.006 . 1 . . . A 10 HIS H . 18364 1 78 . 1 1 10 10 HIS HA H 1 5.185 0.006 . 1 . . . A 10 HIS HA . 18364 1 79 . 1 1 10 10 HIS HB2 H 1 2.869 0.006 . 2 . . . A 10 HIS HB2 . 18364 1 80 . 1 1 10 10 HIS HB3 H 1 2.774 0.006 . 2 . . . A 10 HIS HB3 . 18364 1 81 . 1 1 10 10 HIS HD2 H 1 7.155 0.006 . 1 . . . A 10 HIS HD2 . 18364 1 82 . 1 1 10 10 HIS HE1 H 1 7.333 0.006 . 1 . . . A 10 HIS HE1 . 18364 1 83 . 1 1 10 10 HIS CA C 13 53.587 0.160 . 1 . . . A 10 HIS CA . 18364 1 84 . 1 1 10 10 HIS CB C 13 30.817 0.160 . 1 . . . A 10 HIS CB . 18364 1 85 . 1 1 10 10 HIS CD2 C 13 114.723 0.160 . 1 . . . A 10 HIS CD2 . 18364 1 86 . 1 1 10 10 HIS CE1 C 13 134.517 0.160 . 1 . . . A 10 HIS CE1 . 18364 1 87 . 1 1 10 10 HIS N N 15 133.616 0.130 . 1 . . . A 10 HIS N . 18364 1 88 . 1 1 11 11 LYS H H 1 8.775 0.006 . 1 . . . A 11 LYS H . 18364 1 89 . 1 1 11 11 LYS HA H 1 5.236 0.006 . 1 . . . A 11 LYS HA . 18364 1 90 . 1 1 11 11 LYS HB2 H 1 1.557 0.006 . 2 . . . A 11 LYS HB2 . 18364 1 91 . 1 1 11 11 LYS HB3 H 1 1.678 0.006 . 2 . . . A 11 LYS HB3 . 18364 1 92 . 1 1 11 11 LYS CA C 13 52.748 0.160 . 1 . . . A 11 LYS CA . 18364 1 93 . 1 1 11 11 LYS CB C 13 35.137 0.160 . 1 . . . A 11 LYS CB . 18364 1 94 . 1 1 11 11 LYS CG C 13 21.578 0.160 . 1 . . . A 11 LYS CG . 18364 1 95 . 1 1 11 11 LYS CD C 13 26.369 0.160 . 1 . . . A 11 LYS CD . 18364 1 96 . 1 1 11 11 LYS N N 15 122.949 0.130 . 1 . . . A 11 LYS N . 18364 1 97 . 1 1 12 12 ILE H H 1 8.578 0.006 . 1 . . . A 12 ILE H . 18364 1 98 . 1 1 12 12 ILE HA H 1 5.273 0.006 . 1 . . . A 12 ILE HA . 18364 1 99 . 1 1 12 12 ILE HB H 1 1.603 0.006 . 1 . . . A 12 ILE HB . 18364 1 100 . 1 1 12 12 ILE HG12 H 1 1.467 0.006 . 2 . . . A 12 ILE HG12 . 18364 1 101 . 1 1 12 12 ILE HG13 H 1 1.348 0.006 . 2 . . . A 12 ILE HG13 . 18364 1 102 . 1 1 12 12 ILE HG21 H 1 0.710 0.006 . 1 . . . A 12 ILE QG2 . 18364 1 103 . 1 1 12 12 ILE HG22 H 1 0.710 0.006 . 1 . . . A 12 ILE QG2 . 18364 1 104 . 1 1 12 12 ILE HG23 H 1 0.710 0.006 . 1 . . . A 12 ILE QG2 . 18364 1 105 . 1 1 12 12 ILE HD11 H 1 0.646 0.006 . 1 . . . A 12 ILE QD1 . 18364 1 106 . 1 1 12 12 ILE HD12 H 1 0.646 0.006 . 1 . . . A 12 ILE QD1 . 18364 1 107 . 1 1 12 12 ILE HD13 H 1 0.646 0.006 . 1 . . . A 12 ILE QD1 . 18364 1 108 . 1 1 12 12 ILE CA C 13 55.780 0.160 . 1 . . . A 12 ILE CA . 18364 1 109 . 1 1 12 12 ILE CB C 13 38.767 0.160 . 1 . . . A 12 ILE CB . 18364 1 110 . 1 1 12 12 ILE CG1 C 13 25.259 0.160 . 1 . . . A 12 ILE CG1 . 18364 1 111 . 1 1 12 12 ILE CG2 C 13 14.936 0.160 . 1 . . . A 12 ILE CG2 . 18364 1 112 . 1 1 12 12 ILE CD1 C 13 9.581 0.160 . 1 . . . A 12 ILE CD1 . 18364 1 113 . 1 1 12 12 ILE N N 15 125.260 0.130 . 1 . . . A 12 ILE N . 18364 1 114 . 1 1 13 13 VAL H H 1 9.052 0.006 . 1 . . . A 13 VAL H . 18364 1 115 . 1 1 13 13 VAL HA H 1 4.795 0.006 . 1 . . . A 13 VAL HA . 18364 1 116 . 1 1 13 13 VAL HB H 1 2.003 0.006 . 1 . . . A 13 VAL HB . 18364 1 117 . 1 1 13 13 VAL HG21 H 1 0.994 0.006 . 2 . . . A 13 VAL QG2 . 18364 1 118 . 1 1 13 13 VAL HG22 H 1 0.994 0.006 . 2 . . . A 13 VAL QG2 . 18364 1 119 . 1 1 13 13 VAL HG23 H 1 0.994 0.006 . 2 . . . A 13 VAL QG2 . 18364 1 120 . 1 1 13 13 VAL CA C 13 58.115 0.160 . 1 . . . A 13 VAL CA . 18364 1 121 . 1 1 13 13 VAL CB C 13 32.948 0.160 . 1 . . . A 13 VAL CB . 18364 1 122 . 1 1 13 13 VAL CG1 C 13 18.324 0.160 . 2 . . . A 13 VAL CG1 . 18364 1 123 . 1 1 13 13 VAL CG2 C 13 19.590 0.160 . 2 . . . A 13 VAL CG2 . 18364 1 124 . 1 1 13 13 VAL N N 15 126.515 0.130 . 1 . . . A 13 VAL N . 18364 1 125 . 1 1 14 14 ILE H H 1 8.974 0.006 . 1 . . . A 14 ILE H . 18364 1 126 . 1 1 14 14 ILE HA H 1 5.008 0.006 . 1 . . . A 14 ILE HA . 18364 1 127 . 1 1 14 14 ILE HB H 1 1.548 0.006 . 1 . . . A 14 ILE HB . 18364 1 128 . 1 1 14 14 ILE HG12 H 1 1.568 0.006 . 2 . . . A 14 ILE HG12 . 18364 1 129 . 1 1 14 14 ILE HG13 H 1 0.980 0.006 . 2 . . . A 14 ILE HG13 . 18364 1 130 . 1 1 14 14 ILE HG21 H 1 0.706 0.006 . 1 . . . A 14 ILE QG2 . 18364 1 131 . 1 1 14 14 ILE HG22 H 1 0.706 0.006 . 1 . . . A 14 ILE QG2 . 18364 1 132 . 1 1 14 14 ILE HG23 H 1 0.706 0.006 . 1 . . . A 14 ILE QG2 . 18364 1 133 . 1 1 14 14 ILE HD11 H 1 0.868 0.006 . 1 . . . A 14 ILE QD1 . 18364 1 134 . 1 1 14 14 ILE HD12 H 1 0.868 0.006 . 1 . . . A 14 ILE QD1 . 18364 1 135 . 1 1 14 14 ILE HD13 H 1 0.868 0.006 . 1 . . . A 14 ILE QD1 . 18364 1 136 . 1 1 14 14 ILE CA C 13 57.539 0.160 . 1 . . . A 14 ILE CA . 18364 1 137 . 1 1 14 14 ILE CB C 13 38.656 0.160 . 1 . . . A 14 ILE CB . 18364 1 138 . 1 1 14 14 ILE CG1 C 13 26.565 0.160 . 1 . . . A 14 ILE CG1 . 18364 1 139 . 1 1 14 14 ILE CG2 C 13 14.814 0.160 . 1 . . . A 14 ILE CG2 . 18364 1 140 . 1 1 14 14 ILE CD1 C 13 13.349 0.160 . 1 . . . A 14 ILE CD1 . 18364 1 141 . 1 1 14 14 ILE N N 15 125.803 0.130 . 1 . . . A 14 ILE N . 18364 1 142 . 1 1 15 15 GLN H H 1 9.244 0.006 . 1 . . . A 15 GLN H . 18364 1 143 . 1 1 15 15 GLN HA H 1 5.433 0.006 . 1 . . . A 15 GLN HA . 18364 1 144 . 1 1 15 15 GLN HB2 H 1 2.008 0.006 . 2 . . . A 15 GLN HB2 . 18364 1 145 . 1 1 15 15 GLN HB3 H 1 1.900 0.006 . 2 . . . A 15 GLN HB3 . 18364 1 146 . 1 1 15 15 GLN HG2 H 1 2.273 0.006 . 2 . . . A 15 GLN HG2 . 18364 1 147 . 1 1 15 15 GLN HG3 H 1 2.140 0.006 . 2 . . . A 15 GLN HG3 . 18364 1 148 . 1 1 15 15 GLN HE21 H 1 6.607 0.006 . 2 . . . A 15 GLN HE21 . 18364 1 149 . 1 1 15 15 GLN HE22 H 1 7.081 0.006 . 2 . . . A 15 GLN HE22 . 18364 1 150 . 1 1 15 15 GLN CA C 13 51.002 0.160 . 1 . . . A 15 GLN CA . 18364 1 151 . 1 1 15 15 GLN CB C 13 29.637 0.160 . 1 . . . A 15 GLN CB . 18364 1 152 . 1 1 15 15 GLN CG C 13 31.254 0.160 . 1 . . . A 15 GLN CG . 18364 1 153 . 1 1 15 15 GLN N N 15 125.773 0.130 . 1 . . . A 15 GLN N . 18364 1 154 . 1 1 15 15 GLN NE2 N 15 109.793 0.130 . 1 . . . A 15 GLN NE2 . 18364 1 155 . 1 1 16 16 GLN H H 1 8.964 0.006 . 1 . . . A 16 GLN H . 18364 1 156 . 1 1 16 16 GLN HA H 1 5.741 0.006 . 1 . . . A 16 GLN HA . 18364 1 157 . 1 1 16 16 GLN HB2 H 1 1.564 0.006 . 2 . . . A 16 GLN HB2 . 18364 1 158 . 1 1 16 16 GLN HB3 H 1 2.004 0.006 . 2 . . . A 16 GLN HB3 . 18364 1 159 . 1 1 16 16 GLN HG2 H 1 2.329 0.006 . 2 . . . A 16 GLN HG2 . 18364 1 160 . 1 1 16 16 GLN HG3 H 1 2.133 0.006 . 2 . . . A 16 GLN HG3 . 18364 1 161 . 1 1 16 16 GLN HE21 H 1 6.813 0.006 . 2 . . . A 16 GLN HE21 . 18364 1 162 . 1 1 16 16 GLN HE22 H 1 5.706 0.006 . 2 . . . A 16 GLN HE22 . 18364 1 163 . 1 1 16 16 GLN CA C 13 50.572 0.160 . 1 . . . A 16 GLN CA . 18364 1 164 . 1 1 16 16 GLN CB C 13 30.039 0.160 . 1 . . . A 16 GLN CB . 18364 1 165 . 1 1 16 16 GLN CG C 13 29.382 0.160 . 1 . . . A 16 GLN CG . 18364 1 166 . 1 1 16 16 GLN N N 15 119.832 0.130 . 1 . . . A 16 GLN N . 18364 1 167 . 1 1 16 16 GLN NE2 N 15 104.398 0.130 . 1 . . . A 16 GLN NE2 . 18364 1 168 . 1 1 17 17 SER H H 1 8.770 0.006 . 1 . . . A 17 SER H . 18364 1 169 . 1 1 17 17 SER HA H 1 4.526 0.006 . 1 . . . A 17 SER HA . 18364 1 170 . 1 1 17 17 SER HB2 H 1 3.812 0.006 . 2 . . . A 17 SER QB . 18364 1 171 . 1 1 17 17 SER HB3 H 1 3.812 0.006 . 2 . . . A 17 SER QB . 18364 1 172 . 1 1 17 17 SER CA C 13 54.831 0.160 . 1 . . . A 17 SER CA . 18364 1 173 . 1 1 17 17 SER CB C 13 62.930 0.160 . 1 . . . A 17 SER CB . 18364 1 174 . 1 1 17 17 SER N N 15 115.201 0.130 . 1 . . . A 17 SER N . 18364 1 175 . 1 1 18 18 GLY H H 1 8.798 0.006 . 1 . . . A 18 GLY H . 18364 1 176 . 1 1 18 18 GLY HA2 H 1 3.676 0.006 . 2 . . . A 18 GLY HA2 . 18364 1 177 . 1 1 18 18 GLY HA3 H 1 4.577 0.006 . 2 . . . A 18 GLY HA3 . 18364 1 178 . 1 1 18 18 GLY CA C 13 41.737 0.160 . 1 . . . A 18 GLY CA . 18364 1 179 . 1 1 18 18 GLY N N 15 109.321 0.130 . 1 . . . A 18 GLY N . 18364 1 180 . 1 1 19 19 ASP H H 1 9.708 0.006 . 1 . . . A 19 ASP H . 18364 1 181 . 1 1 19 19 ASP HA H 1 5.071 0.006 . 1 . . . A 19 ASP HA . 18364 1 182 . 1 1 19 19 ASP HB2 H 1 2.882 0.006 . 2 . . . A 19 ASP HB2 . 18364 1 183 . 1 1 19 19 ASP HB3 H 1 2.968 0.006 . 2 . . . A 19 ASP HB3 . 18364 1 184 . 1 1 19 19 ASP CA C 13 51.251 0.160 . 1 . . . A 19 ASP CA . 18364 1 185 . 1 1 19 19 ASP CB C 13 37.872 0.160 . 1 . . . A 19 ASP CB . 18364 1 186 . 1 1 19 19 ASP N N 15 128.121 0.130 . 1 . . . A 19 ASP N . 18364 1 187 . 1 1 20 20 THR H H 1 8.136 0.006 . 1 . . . A 20 THR H . 18364 1 188 . 1 1 20 20 THR HA H 1 3.615 0.006 . 1 . . . A 20 THR HA . 18364 1 189 . 1 1 20 20 THR HB H 1 4.140 0.006 . 1 . . . A 20 THR HB . 18364 1 190 . 1 1 20 20 THR HG21 H 1 0.902 0.006 . 1 . . . A 20 THR QG2 . 18364 1 191 . 1 1 20 20 THR HG22 H 1 0.902 0.006 . 1 . . . A 20 THR QG2 . 18364 1 192 . 1 1 20 20 THR HG23 H 1 0.902 0.006 . 1 . . . A 20 THR QG2 . 18364 1 193 . 1 1 20 20 THR CA C 13 63.331 0.160 . 1 . . . A 20 THR CA . 18364 1 194 . 1 1 20 20 THR CB C 13 64.873 0.160 . 1 . . . A 20 THR CB . 18364 1 195 . 1 1 20 20 THR CG2 C 13 18.982 0.160 . 1 . . . A 20 THR CG2 . 18364 1 196 . 1 1 20 20 THR N N 15 111.610 0.130 . 1 . . . A 20 THR N . 18364 1 197 . 1 1 21 21 ASP H H 1 8.566 0.006 . 1 . . . A 21 ASP H . 18364 1 198 . 1 1 21 21 ASP HA H 1 4.639 0.006 . 1 . . . A 21 ASP HA . 18364 1 199 . 1 1 21 21 ASP HB2 H 1 2.722 0.006 . 2 . . . A 21 ASP QB . 18364 1 200 . 1 1 21 21 ASP HB3 H 1 2.722 0.006 . 2 . . . A 21 ASP QB . 18364 1 201 . 1 1 21 21 ASP CA C 13 52.945 0.160 . 1 . . . A 21 ASP CA . 18364 1 202 . 1 1 21 21 ASP CB C 13 37.785 0.160 . 1 . . . A 21 ASP CB . 18364 1 203 . 1 1 21 21 ASP N N 15 118.304 0.130 . 1 . . . A 21 ASP N . 18364 1 204 . 1 1 22 22 SER H H 1 8.076 0.006 . 1 . . . A 22 SER H . 18364 1 205 . 1 1 22 22 SER HA H 1 4.384 0.006 . 1 . . . A 22 SER HA . 18364 1 206 . 1 1 22 22 SER HB2 H 1 3.779 0.006 . 2 . . . A 22 SER HB2 . 18364 1 207 . 1 1 22 22 SER HB3 H 1 3.837 0.006 . 2 . . . A 22 SER HB3 . 18364 1 208 . 1 1 22 22 SER CA C 13 57.170 0.160 . 1 . . . A 22 SER CA . 18364 1 209 . 1 1 22 22 SER CB C 13 61.441 0.160 . 1 . . . A 22 SER CB . 18364 1 210 . 1 1 22 22 SER N N 15 114.253 0.130 . 1 . . . A 22 SER N . 18364 1 211 . 1 1 23 23 PHE H H 1 7.611 0.006 . 1 . . . A 23 PHE H . 18364 1 212 . 1 1 23 23 PHE HA H 1 5.010 0.006 . 1 . . . A 23 PHE HA . 18364 1 213 . 1 1 23 23 PHE HB2 H 1 2.605 0.006 . 2 . . . A 23 PHE QB . 18364 1 214 . 1 1 23 23 PHE HB3 H 1 2.605 0.006 . 2 . . . A 23 PHE QB . 18364 1 215 . 1 1 23 23 PHE CA C 13 53.272 0.160 . 1 . . . A 23 PHE CA . 18364 1 216 . 1 1 23 23 PHE CB C 13 42.021 0.160 . 1 . . . A 23 PHE CB . 18364 1 217 . 1 1 23 23 PHE CD2 C 13 129.690 0.160 . 3 . . . A 23 PHE CD2 . 18364 1 218 . 1 1 23 23 PHE N N 15 119.853 0.130 . 1 . . . A 23 PHE N . 18364 1 219 . 1 1 24 24 GLU H H 1 8.958 0.006 . 1 . . . A 24 GLU H . 18364 1 220 . 1 1 24 24 GLU HA H 1 4.571 0.006 . 1 . . . A 24 GLU HA . 18364 1 221 . 1 1 24 24 GLU HB2 H 1 1.760 0.006 . 2 . . . A 24 GLU HB2 . 18364 1 222 . 1 1 24 24 GLU HB3 H 1 1.828 0.006 . 2 . . . A 24 GLU HB3 . 18364 1 223 . 1 1 24 24 GLU HG2 H 1 1.792 0.006 . 2 . . . A 24 GLU HG2 . 18364 1 224 . 1 1 24 24 GLU CA C 13 52.642 0.160 . 1 . . . A 24 GLU CA . 18364 1 225 . 1 1 24 24 GLU CB C 13 28.881 0.160 . 1 . . . A 24 GLU CB . 18364 1 226 . 1 1 24 24 GLU N N 15 119.255 0.130 . 1 . . . A 24 GLU N . 18364 1 227 . 1 1 25 25 VAL H H 1 9.678 0.006 . 1 . . . A 25 VAL H . 18364 1 228 . 1 1 25 25 VAL HA H 1 4.859 0.006 . 1 . . . A 25 VAL HA . 18364 1 229 . 1 1 25 25 VAL HB H 1 2.127 0.006 . 1 . . . A 25 VAL HB . 18364 1 230 . 1 1 25 25 VAL HG11 H 1 0.849 0.006 . 2 . . . A 25 VAL QG1 . 18364 1 231 . 1 1 25 25 VAL HG12 H 1 0.849 0.006 . 2 . . . A 25 VAL QG1 . 18364 1 232 . 1 1 25 25 VAL HG13 H 1 0.849 0.006 . 2 . . . A 25 VAL QG1 . 18364 1 233 . 1 1 25 25 VAL HG21 H 1 0.728 0.006 . 2 . . . A 25 VAL QG2 . 18364 1 234 . 1 1 25 25 VAL HG22 H 1 0.728 0.006 . 2 . . . A 25 VAL QG2 . 18364 1 235 . 1 1 25 25 VAL HG23 H 1 0.728 0.006 . 2 . . . A 25 VAL QG2 . 18364 1 236 . 1 1 25 25 VAL CA C 13 58.548 0.160 . 1 . . . A 25 VAL CA . 18364 1 237 . 1 1 25 25 VAL CB C 13 30.439 0.160 . 1 . . . A 25 VAL CB . 18364 1 238 . 1 1 25 25 VAL CG1 C 13 19.205 0.160 . 2 . . . A 25 VAL CG1 . 18364 1 239 . 1 1 25 25 VAL CG2 C 13 17.871 0.160 . 2 . . . A 25 VAL CG2 . 18364 1 240 . 1 1 25 25 VAL N N 15 130.637 0.130 . 1 . . . A 25 VAL N . 18364 1 241 . 1 1 26 26 SER H H 1 8.883 0.006 . 1 . . . A 26 SER H . 18364 1 242 . 1 1 26 26 SER HA H 1 5.289 0.006 . 1 . . . A 26 SER HA . 18364 1 243 . 1 1 26 26 SER HB2 H 1 3.603 0.006 . 2 . . . A 26 SER HB2 . 18364 1 244 . 1 1 26 26 SER HB3 H 1 3.508 0.006 . 2 . . . A 26 SER HB3 . 18364 1 245 . 1 1 26 26 SER CA C 13 54.088 0.160 . 1 . . . A 26 SER CA . 18364 1 246 . 1 1 26 26 SER CB C 13 62.476 0.160 . 1 . . . A 26 SER CB . 18364 1 247 . 1 1 26 26 SER N N 15 122.555 0.130 . 1 . . . A 26 SER N . 18364 1 248 . 1 1 27 27 VAL H H 1 8.493 0.006 . 1 . . . A 27 VAL H . 18364 1 249 . 1 1 27 27 VAL HA H 1 5.269 0.006 . 1 . . . A 27 VAL HA . 18364 1 250 . 1 1 27 27 VAL HB H 1 2.028 0.006 . 1 . . . A 27 VAL HB . 18364 1 251 . 1 1 27 27 VAL HG11 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 252 . 1 1 27 27 VAL HG12 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 253 . 1 1 27 27 VAL HG13 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 254 . 1 1 27 27 VAL HG21 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 255 . 1 1 27 27 VAL HG22 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 256 . 1 1 27 27 VAL HG23 H 1 0.763 0.006 . 1 . . . A 27 VAL QQG . 18364 1 257 . 1 1 27 27 VAL CA C 13 56.005 0.160 . 1 . . . A 27 VAL CA . 18364 1 258 . 1 1 27 27 VAL CB C 13 34.158 0.160 . 1 . . . A 27 VAL CB . 18364 1 259 . 1 1 27 27 VAL CG1 C 13 19.320 0.160 . 2 . . . A 27 VAL CG1 . 18364 1 260 . 1 1 27 27 VAL CG2 C 13 19.318 0.160 . 2 . . . A 27 VAL CG2 . 18364 1 261 . 1 1 27 27 VAL N N 15 113.682 0.130 . 1 . . . A 27 VAL N . 18364 1 262 . 1 1 28 28 SER H H 1 8.709 0.006 . 1 . . . A 28 SER H . 18364 1 263 . 1 1 28 28 SER HA H 1 5.410 0.006 . 1 . . . A 28 SER HA . 18364 1 264 . 1 1 28 28 SER HB2 H 1 3.596 0.006 . 2 . . . A 28 SER HB2 . 18364 1 265 . 1 1 28 28 SER HB3 H 1 3.723 0.006 . 2 . . . A 28 SER HB3 . 18364 1 266 . 1 1 28 28 SER CA C 13 54.633 0.160 . 1 . . . A 28 SER CA . 18364 1 267 . 1 1 28 28 SER CB C 13 62.095 0.160 . 1 . . . A 28 SER CB . 18364 1 268 . 1 1 28 28 SER N N 15 116.852 0.130 . 1 . . . A 28 SER N . 18364 1 269 . 1 1 29 29 ILE H H 1 9.631 0.006 . 1 . . . A 29 ILE H . 18364 1 270 . 1 1 29 29 ILE HA H 1 5.224 0.006 . 1 . . . A 29 ILE HA . 18364 1 271 . 1 1 29 29 ILE HB H 1 1.740 0.006 . 1 . . . A 29 ILE HB . 18364 1 272 . 1 1 29 29 ILE HG12 H 1 0.968 0.006 . 2 . . . A 29 ILE HG12 . 18364 1 273 . 1 1 29 29 ILE HG13 H 1 1.708 0.006 . 2 . . . A 29 ILE HG13 . 18364 1 274 . 1 1 29 29 ILE HG21 H 1 0.833 0.006 . 1 . . . A 29 ILE QG2 . 18364 1 275 . 1 1 29 29 ILE HG22 H 1 0.833 0.006 . 1 . . . A 29 ILE QG2 . 18364 1 276 . 1 1 29 29 ILE HG23 H 1 0.833 0.006 . 1 . . . A 29 ILE QG2 . 18364 1 277 . 1 1 29 29 ILE HD11 H 1 0.766 0.006 . 1 . . . A 29 ILE QD1 . 18364 1 278 . 1 1 29 29 ILE HD12 H 1 0.766 0.006 . 1 . . . A 29 ILE QD1 . 18364 1 279 . 1 1 29 29 ILE HD13 H 1 0.766 0.006 . 1 . . . A 29 ILE QD1 . 18364 1 280 . 1 1 29 29 ILE CA C 13 57.247 0.160 . 1 . . . A 29 ILE CA . 18364 1 281 . 1 1 29 29 ILE CB C 13 39.144 0.160 . 1 . . . A 29 ILE CB . 18364 1 282 . 1 1 29 29 ILE CG1 C 13 26.313 0.160 . 1 . . . A 29 ILE CG1 . 18364 1 283 . 1 1 29 29 ILE CG2 C 13 16.120 0.160 . 1 . . . A 29 ILE CG2 . 18364 1 284 . 1 1 29 29 ILE CD1 C 13 11.252 0.160 . 1 . . . A 29 ILE CD1 . 18364 1 285 . 1 1 29 29 ILE N N 15 128.765 0.130 . 1 . . . A 29 ILE N . 18364 1 286 . 1 1 30 30 GLY H H 1 8.095 0.006 . 1 . . . A 30 GLY H . 18364 1 287 . 1 1 30 30 GLY HA2 H 1 3.960 0.006 . 2 . . . A 30 GLY HA2 . 18364 1 288 . 1 1 30 30 GLY HA3 H 1 4.428 0.006 . 2 . . . A 30 GLY HA3 . 18364 1 289 . 1 1 30 30 GLY CA C 13 42.140 0.160 . 1 . . . A 30 GLY CA . 18364 1 290 . 1 1 30 30 GLY N N 15 112.478 0.130 . 1 . . . A 30 GLY N . 18364 1 291 . 1 1 31 31 GLY H H 1 9.755 0.006 . 1 . . . A 31 GLY H . 18364 1 292 . 1 1 31 31 GLY HA2 H 1 3.633 0.006 . 2 . . . A 31 GLY HA2 . 18364 1 293 . 1 1 31 31 GLY HA3 H 1 4.385 0.006 . 2 . . . A 31 GLY HA3 . 18364 1 294 . 1 1 31 31 GLY CA C 13 43.201 0.160 . 1 . . . A 31 GLY CA . 18364 1 295 . 1 1 31 31 GLY N N 15 108.502 0.130 . 1 . . . A 31 GLY N . 18364 1 296 . 1 1 32 32 ALA H H 1 7.338 0.006 . 1 . . . A 32 ALA H . 18364 1 297 . 1 1 32 32 ALA HA H 1 4.967 0.006 . 1 . . . A 32 ALA HA . 18364 1 298 . 1 1 32 32 ALA HB1 H 1 0.925 0.006 . 1 . . . A 32 ALA QB . 18364 1 299 . 1 1 32 32 ALA HB2 H 1 0.925 0.006 . 1 . . . A 32 ALA QB . 18364 1 300 . 1 1 32 32 ALA HB3 H 1 0.925 0.006 . 1 . . . A 32 ALA QB . 18364 1 301 . 1 1 32 32 ALA CA C 13 48.540 0.160 . 1 . . . A 32 ALA CA . 18364 1 302 . 1 1 32 32 ALA CB C 13 21.078 0.160 . 1 . . . A 32 ALA CB . 18364 1 303 . 1 1 32 32 ALA N N 15 122.020 0.130 . 1 . . . A 32 ALA N . 18364 1 304 . 1 1 33 33 ASP H H 1 8.945 0.006 . 1 . . . A 33 ASP H . 18364 1 305 . 1 1 33 33 ASP HA H 1 3.680 0.006 . 1 . . . A 33 ASP HA . 18364 1 306 . 1 1 33 33 ASP HB2 H 1 2.300 0.006 . 2 . . . A 33 ASP HB2 . 18364 1 307 . 1 1 33 33 ASP HB3 H 1 2.780 0.006 . 2 . . . A 33 ASP HB3 . 18364 1 308 . 1 1 33 33 ASP CA C 13 49.520 0.160 . 1 . . . A 33 ASP CA . 18364 1 309 . 1 1 33 33 ASP CB C 13 40.840 0.160 . 1 . . . A 33 ASP CB . 18364 1 310 . 1 1 33 33 ASP N N 15 121.217 0.130 . 1 . . . A 33 ASP N . 18364 1 311 . 1 1 34 34 LYS H H 1 8.200 0.006 . 1 . . . A 34 LYS H . 18364 1 312 . 1 1 34 34 LYS HA H 1 4.017 0.006 . 1 . . . A 34 LYS HA . 18364 1 313 . 1 1 34 34 LYS HB2 H 1 1.743 0.006 . 2 . . . A 34 LYS HB2 . 18364 1 314 . 1 1 34 34 LYS HB3 H 1 1.856 0.006 . 2 . . . A 34 LYS HB3 . 18364 1 315 . 1 1 34 34 LYS HG2 H 1 1.398 0.006 . 2 . . . A 34 LYS QG . 18364 1 316 . 1 1 34 34 LYS HG3 H 1 1.398 0.006 . 2 . . . A 34 LYS QG . 18364 1 317 . 1 1 34 34 LYS HD2 H 1 1.629 0.006 . 2 . . . A 34 LYS QD . 18364 1 318 . 1 1 34 34 LYS HD3 H 1 1.629 0.006 . 2 . . . A 34 LYS QD . 18364 1 319 . 1 1 34 34 LYS HE2 H 1 2.906 0.006 . 2 . . . A 34 LYS HE2 . 18364 1 320 . 1 1 34 34 LYS CA C 13 56.700 0.160 . 1 . . . A 34 LYS CA . 18364 1 321 . 1 1 34 34 LYS CB C 13 29.772 0.160 . 1 . . . A 34 LYS CB . 18364 1 322 . 1 1 34 34 LYS CG C 13 22.194 0.160 . 1 . . . A 34 LYS CG . 18364 1 323 . 1 1 34 34 LYS CD C 13 26.851 0.160 . 1 . . . A 34 LYS CD . 18364 1 324 . 1 1 34 34 LYS CE C 13 39.565 0.160 . 1 . . . A 34 LYS CE . 18364 1 325 . 1 1 34 34 LYS N N 15 117.693 0.130 . 1 . . . A 34 LYS N . 18364 1 326 . 1 1 35 35 GLY H H 1 8.653 0.006 . 1 . . . A 35 GLY H . 18364 1 327 . 1 1 35 35 GLY HA2 H 1 3.557 0.006 . 2 . . . A 35 GLY HA2 . 18364 1 328 . 1 1 35 35 GLY HA3 H 1 4.187 0.006 . 2 . . . A 35 GLY HA3 . 18364 1 329 . 1 1 35 35 GLY CA C 13 42.719 0.160 . 1 . . . A 35 GLY CA . 18364 1 330 . 1 1 35 35 GLY N N 15 106.697 0.130 . 1 . . . A 35 GLY N . 18364 1 331 . 1 1 36 36 GLY H H 1 7.601 0.006 . 1 . . . A 36 GLY H . 18364 1 332 . 1 1 36 36 GLY HA2 H 1 3.590 0.006 . 2 . . . A 36 GLY HA2 . 18364 1 333 . 1 1 36 36 GLY HA3 H 1 4.606 0.006 . 2 . . . A 36 GLY HA3 . 18364 1 334 . 1 1 36 36 GLY CA C 13 41.099 0.160 . 1 . . . A 36 GLY CA . 18364 1 335 . 1 1 36 36 GLY N N 15 110.824 0.130 . 1 . . . A 36 GLY N . 18364 1 336 . 1 1 37 37 PRO HA H 1 4.571 0.006 . 1 . . . A 37 PRO HA . 18364 1 337 . 1 1 37 37 PRO HB2 H 1 1.856 0.006 . 2 . . . A 37 PRO HB2 . 18364 1 338 . 1 1 37 37 PRO HB3 H 1 2.366 0.006 . 2 . . . A 37 PRO HB3 . 18364 1 339 . 1 1 37 37 PRO HG2 H 1 2.104 0.006 . 2 . . . A 37 PRO HG2 . 18364 1 340 . 1 1 37 37 PRO HG3 H 1 1.946 0.006 . 2 . . . A 37 PRO HG3 . 18364 1 341 . 1 1 37 37 PRO HD2 H 1 3.631 0.006 . 2 . . . A 37 PRO QD . 18364 1 342 . 1 1 37 37 PRO HD3 H 1 3.631 0.006 . 2 . . . A 37 PRO QD . 18364 1 343 . 1 1 37 37 PRO CA C 13 60.012 0.160 . 1 . . . A 37 PRO CA . 18364 1 344 . 1 1 37 37 PRO CB C 13 29.470 0.160 . 1 . . . A 37 PRO CB . 18364 1 345 . 1 1 37 37 PRO CG C 13 25.208 0.160 . 1 . . . A 37 PRO CG . 18364 1 346 . 1 1 37 37 PRO CD C 13 47.451 0.160 . 1 . . . A 37 PRO CD . 18364 1 347 . 1 1 38 38 ALA H H 1 7.486 0.006 . 1 . . . A 38 ALA H . 18364 1 348 . 1 1 38 38 ALA HA H 1 4.127 0.006 . 1 . . . A 38 ALA HA . 18364 1 349 . 1 1 38 38 ALA HB1 H 1 0.912 0.006 . 1 . . . A 38 ALA QB . 18364 1 350 . 1 1 38 38 ALA HB2 H 1 0.912 0.006 . 1 . . . A 38 ALA QB . 18364 1 351 . 1 1 38 38 ALA HB3 H 1 0.912 0.006 . 1 . . . A 38 ALA QB . 18364 1 352 . 1 1 38 38 ALA CA C 13 48.117 0.160 . 1 . . . A 38 ALA CA . 18364 1 353 . 1 1 38 38 ALA CB C 13 16.655 0.160 . 1 . . . A 38 ALA CB . 18364 1 354 . 1 1 38 38 ALA N N 15 127.841 0.130 . 1 . . . A 38 ALA N . 18364 1 355 . 1 1 39 39 LYS H H 1 8.042 0.006 . 1 . . . A 39 LYS H . 18364 1 356 . 1 1 39 39 LYS HA H 1 4.115 0.006 . 1 . . . A 39 LYS HA . 18364 1 357 . 1 1 39 39 LYS HB2 H 1 1.873 0.006 . 2 . . . A 39 LYS HB2 . 18364 1 358 . 1 1 39 39 LYS HB3 H 1 1.500 0.006 . 2 . . . A 39 LYS HB3 . 18364 1 359 . 1 1 39 39 LYS HG2 H 1 1.445 0.006 . 2 . . . A 39 LYS HG2 . 18364 1 360 . 1 1 39 39 LYS HG3 H 1 1.671 0.006 . 2 . . . A 39 LYS HG3 . 18364 1 361 . 1 1 39 39 LYS HD2 H 1 1.467 0.006 . 2 . . . A 39 LYS HD2 . 18364 1 362 . 1 1 39 39 LYS HD3 H 1 1.244 0.006 . 2 . . . A 39 LYS HD3 . 18364 1 363 . 1 1 39 39 LYS HE2 H 1 2.704 0.006 . 2 . . . A 39 LYS HE2 . 18364 1 364 . 1 1 39 39 LYS HE3 H 1 2.782 0.006 . 2 . . . A 39 LYS HE3 . 18364 1 365 . 1 1 39 39 LYS CA C 13 55.674 0.160 . 1 . . . A 39 LYS CA . 18364 1 366 . 1 1 39 39 LYS CB C 13 31.223 0.160 . 1 . . . A 39 LYS CB . 18364 1 367 . 1 1 39 39 LYS CG C 13 23.398 0.160 . 1 . . . A 39 LYS CG . 18364 1 368 . 1 1 39 39 LYS CD C 13 26.731 0.160 . 1 . . . A 39 LYS CD . 18364 1 369 . 1 1 39 39 LYS CE C 13 39.773 0.160 . 1 . . . A 39 LYS CE . 18364 1 370 . 1 1 39 39 LYS N N 15 121.148 0.130 . 1 . . . A 39 LYS N . 18364 1 371 . 1 1 40 40 LEU H H 1 7.901 0.006 . 1 . . . A 40 LEU H . 18364 1 372 . 1 1 40 40 LEU HA H 1 5.122 0.006 . 1 . . . A 40 LEU HA . 18364 1 373 . 1 1 40 40 LEU HB2 H 1 1.561 0.006 . 2 . . . A 40 LEU HB2 . 18364 1 374 . 1 1 40 40 LEU HB3 H 1 0.726 0.006 . 2 . . . A 40 LEU HB3 . 18364 1 375 . 1 1 40 40 LEU HG H 1 1.700 0.006 . 1 . . . A 40 LEU HG . 18364 1 376 . 1 1 40 40 LEU HD11 H 1 0.461 0.006 . 2 . . . A 40 LEU QD1 . 18364 1 377 . 1 1 40 40 LEU HD12 H 1 0.461 0.006 . 2 . . . A 40 LEU QD1 . 18364 1 378 . 1 1 40 40 LEU HD13 H 1 0.461 0.006 . 2 . . . A 40 LEU QD1 . 18364 1 379 . 1 1 40 40 LEU HD21 H 1 0.468 0.006 . 2 . . . A 40 LEU QD2 . 18364 1 380 . 1 1 40 40 LEU HD22 H 1 0.468 0.006 . 2 . . . A 40 LEU QD2 . 18364 1 381 . 1 1 40 40 LEU HD23 H 1 0.468 0.006 . 2 . . . A 40 LEU QD2 . 18364 1 382 . 1 1 40 40 LEU CA C 13 50.156 0.160 . 1 . . . A 40 LEU CA . 18364 1 383 . 1 1 40 40 LEU CB C 13 42.172 0.160 . 1 . . . A 40 LEU CB . 18364 1 384 . 1 1 40 40 LEU CG C 13 23.843 0.160 . 1 . . . A 40 LEU CG . 18364 1 385 . 1 1 40 40 LEU CD1 C 13 24.101 0.160 . 2 . . . A 40 LEU CD1 . 18364 1 386 . 1 1 40 40 LEU CD2 C 13 20.380 0.160 . 2 . . . A 40 LEU CD2 . 18364 1 387 . 1 1 40 40 LEU N N 15 118.817 0.130 . 1 . . . A 40 LEU N . 18364 1 388 . 1 1 41 41 TYR H H 1 9.109 0.006 . 1 . . . A 41 TYR H . 18364 1 389 . 1 1 41 41 TYR HA H 1 5.303 0.006 . 1 . . . A 41 TYR HA . 18364 1 390 . 1 1 41 41 TYR HB2 H 1 2.828 0.006 . 2 . . . A 41 TYR HB2 . 18364 1 391 . 1 1 41 41 TYR HB3 H 1 2.486 0.006 . 2 . . . A 41 TYR HB3 . 18364 1 392 . 1 1 41 41 TYR HD1 H 1 6.853 0.006 . 3 . . . A 41 TYR QD . 18364 1 393 . 1 1 41 41 TYR HD2 H 1 6.853 0.006 . 3 . . . A 41 TYR QD . 18364 1 394 . 1 1 41 41 TYR HE1 H 1 6.619 0.006 . 3 . . . A 41 TYR QE . 18364 1 395 . 1 1 41 41 TYR HE2 H 1 6.619 0.006 . 3 . . . A 41 TYR QE . 18364 1 396 . 1 1 41 41 TYR CA C 13 53.394 0.160 . 1 . . . A 41 TYR CA . 18364 1 397 . 1 1 41 41 TYR CB C 13 39.419 0.160 . 1 . . . A 41 TYR CB . 18364 1 398 . 1 1 41 41 TYR CD1 C 13 130.786 0.160 . 3 . . . A 41 TYR CD1 . 18364 1 399 . 1 1 41 41 TYR CD2 C 13 130.785 0.160 . 3 . . . A 41 TYR CD2 . 18364 1 400 . 1 1 41 41 TYR CE1 C 13 114.770 0.160 . 3 . . . A 41 TYR CE1 . 18364 1 401 . 1 1 41 41 TYR CE2 C 13 114.769 0.160 . 3 . . . A 41 TYR CE2 . 18364 1 402 . 1 1 41 41 TYR N N 15 117.843 0.130 . 1 . . . A 41 TYR N . 18364 1 403 . 1 1 42 42 ASN H H 1 8.239 0.006 . 1 . . . A 42 ASN H . 18364 1 404 . 1 1 42 42 ASN HA H 1 4.984 0.006 . 1 . . . A 42 ASN HA . 18364 1 405 . 1 1 42 42 ASN HB2 H 1 3.635 0.006 . 2 . . . A 42 ASN HB2 . 18364 1 406 . 1 1 42 42 ASN HB3 H 1 2.806 0.006 . 2 . . . A 42 ASN HB3 . 18364 1 407 . 1 1 42 42 ASN HD21 H 1 7.948 0.006 . 2 . . . A 42 ASN HD21 . 18364 1 408 . 1 1 42 42 ASN HD22 H 1 7.765 0.006 . 2 . . . A 42 ASN HD22 . 18364 1 409 . 1 1 42 42 ASN CA C 13 48.001 0.160 . 1 . . . A 42 ASN CA . 18364 1 410 . 1 1 42 42 ASN CB C 13 36.514 0.160 . 1 . . . A 42 ASN CB . 18364 1 411 . 1 1 42 42 ASN N N 15 117.689 0.130 . 1 . . . A 42 ASN N . 18364 1 412 . 1 1 42 42 ASN ND2 N 15 113.755 0.130 . 1 . . . A 42 ASN ND2 . 18364 1 413 . 1 1 43 43 ASP H H 1 8.650 0.006 . 1 . . . A 43 ASP H . 18364 1 414 . 1 1 43 43 ASP HA H 1 4.170 0.006 . 1 . . . A 43 ASP HA . 18364 1 415 . 1 1 43 43 ASP HB2 H 1 2.594 0.006 . 2 . . . A 43 ASP HB2 . 18364 1 416 . 1 1 43 43 ASP HB3 H 1 2.702 0.006 . 2 . . . A 43 ASP HB3 . 18364 1 417 . 1 1 43 43 ASP CA C 13 53.123 0.160 . 1 . . . A 43 ASP CA . 18364 1 418 . 1 1 43 43 ASP CB C 13 37.355 0.160 . 1 . . . A 43 ASP CB . 18364 1 419 . 1 1 43 43 ASP N N 15 116.760 0.130 . 1 . . . A 43 ASP N . 18364 1 420 . 1 1 44 44 LYS H H 1 7.505 0.006 . 1 . . . A 44 LYS H . 18364 1 421 . 1 1 44 44 LYS HA H 1 4.359 0.006 . 1 . . . A 44 LYS HA . 18364 1 422 . 1 1 44 44 LYS HB2 H 1 1.984 0.006 . 2 . . . A 44 LYS HB2 . 18364 1 423 . 1 1 44 44 LYS HB3 H 1 1.627 0.006 . 2 . . . A 44 LYS HB3 . 18364 1 424 . 1 1 44 44 LYS HG2 H 1 1.309 0.006 . 2 . . . A 44 LYS HG2 . 18364 1 425 . 1 1 44 44 LYS HG3 H 1 1.386 0.006 . 2 . . . A 44 LYS HG3 . 18364 1 426 . 1 1 44 44 LYS HD2 H 1 1.565 0.006 . 2 . . . A 44 LYS QD . 18364 1 427 . 1 1 44 44 LYS HD3 H 1 1.565 0.006 . 2 . . . A 44 LYS QD . 18364 1 428 . 1 1 44 44 LYS HE2 H 1 2.908 0.006 . 2 . . . A 44 LYS HE2 . 18364 1 429 . 1 1 44 44 LYS HE3 H 1 2.954 0.006 . 2 . . . A 44 LYS HE3 . 18364 1 430 . 1 1 44 44 LYS CA C 13 52.676 0.160 . 1 . . . A 44 LYS CA . 18364 1 431 . 1 1 44 44 LYS CB C 13 30.170 0.160 . 1 . . . A 44 LYS CB . 18364 1 432 . 1 1 44 44 LYS CG C 13 22.270 0.160 . 1 . . . A 44 LYS CG . 18364 1 433 . 1 1 44 44 LYS CD C 13 26.451 0.160 . 1 . . . A 44 LYS CD . 18364 1 434 . 1 1 44 44 LYS CE C 13 39.635 0.160 . 1 . . . A 44 LYS CE . 18364 1 435 . 1 1 44 44 LYS N N 15 118.108 0.130 . 1 . . . A 44 LYS N . 18364 1 436 . 1 1 45 45 GLY H H 1 8.117 0.006 . 1 . . . A 45 GLY H . 18364 1 437 . 1 1 45 45 GLY HA2 H 1 3.605 0.006 . 2 . . . A 45 GLY HA2 . 18364 1 438 . 1 1 45 45 GLY HA3 H 1 4.080 0.006 . 2 . . . A 45 GLY HA3 . 18364 1 439 . 1 1 45 45 GLY CA C 13 42.988 0.160 . 1 . . . A 45 GLY CA . 18364 1 440 . 1 1 45 45 GLY N N 15 108.163 0.130 . 1 . . . A 45 GLY N . 18364 1 441 . 1 1 46 46 GLU H H 1 7.884 0.006 . 1 . . . A 46 GLU H . 18364 1 442 . 1 1 46 46 GLU HA H 1 4.345 0.006 . 1 . . . A 46 GLU HA . 18364 1 443 . 1 1 46 46 GLU HB2 H 1 1.967 0.006 . 2 . . . A 46 GLU HB2 . 18364 1 444 . 1 1 46 46 GLU HB3 H 1 1.853 0.006 . 2 . . . A 46 GLU HB3 . 18364 1 445 . 1 1 46 46 GLU HG2 H 1 2.128 0.006 . 2 . . . A 46 GLU HG2 . 18364 1 446 . 1 1 46 46 GLU CA C 13 52.409 0.160 . 1 . . . A 46 GLU CA . 18364 1 447 . 1 1 46 46 GLU CB C 13 27.408 0.160 . 1 . . . A 46 GLU CB . 18364 1 448 . 1 1 46 46 GLU CG C 13 33.733 0.160 . 1 . . . A 46 GLU CG . 18364 1 449 . 1 1 46 46 GLU N N 15 120.173 0.130 . 1 . . . A 46 GLU N . 18364 1 450 . 1 1 47 47 TYR H H 1 8.710 0.006 . 1 . . . A 47 TYR H . 18364 1 451 . 1 1 47 47 TYR HA H 1 4.351 0.006 . 1 . . . A 47 TYR HA . 18364 1 452 . 1 1 47 47 TYR HB2 H 1 2.747 0.006 . 2 . . . A 47 TYR HB2 . 18364 1 453 . 1 1 47 47 TYR HB3 H 1 3.078 0.006 . 2 . . . A 47 TYR HB3 . 18364 1 454 . 1 1 47 47 TYR HD1 H 1 6.820 0.006 . 3 . . . A 47 TYR QD . 18364 1 455 . 1 1 47 47 TYR HD2 H 1 6.820 0.006 . 3 . . . A 47 TYR QD . 18364 1 456 . 1 1 47 47 TYR HE1 H 1 6.618 0.006 . 3 . . . A 47 TYR QE . 18364 1 457 . 1 1 47 47 TYR HE2 H 1 6.618 0.006 . 3 . . . A 47 TYR QE . 18364 1 458 . 1 1 47 47 TYR CA C 13 54.317 0.160 . 1 . . . A 47 TYR CA . 18364 1 459 . 1 1 47 47 TYR CB C 13 35.858 0.160 . 1 . . . A 47 TYR CB . 18364 1 460 . 1 1 47 47 TYR CD1 C 13 130.448 0.160 . 3 . . . A 47 TYR CD1 . 18364 1 461 . 1 1 47 47 TYR CD2 C 13 130.448 0.160 . 3 . . . A 47 TYR CD2 . 18364 1 462 . 1 1 47 47 TYR CE1 C 13 114.769 0.160 . 3 . . . A 47 TYR CE1 . 18364 1 463 . 1 1 47 47 TYR CE2 C 13 114.770 0.160 . 3 . . . A 47 TYR CE2 . 18364 1 464 . 1 1 47 47 TYR N N 15 123.803 0.130 . 1 . . . A 47 TYR N . 18364 1 465 . 1 1 48 48 ILE H H 1 8.416 0.006 . 1 . . . A 48 ILE H . 18364 1 466 . 1 1 48 48 ILE HA H 1 4.173 0.006 . 1 . . . A 48 ILE HA . 18364 1 467 . 1 1 48 48 ILE HB H 1 1.827 0.006 . 1 . . . A 48 ILE HB . 18364 1 468 . 1 1 48 48 ILE HG12 H 1 0.488 0.006 . 1 . . . A 48 ILE QG1 . 18364 1 469 . 1 1 48 48 ILE HG13 H 1 0.488 0.006 . 1 . . . A 48 ILE QG1 . 18364 1 470 . 1 1 48 48 ILE HG21 H 1 0.693 0.006 . 1 . . . A 48 ILE QG2 . 18364 1 471 . 1 1 48 48 ILE HG22 H 1 0.693 0.006 . 1 . . . A 48 ILE QG2 . 18364 1 472 . 1 1 48 48 ILE HG23 H 1 0.693 0.006 . 1 . . . A 48 ILE QG2 . 18364 1 473 . 1 1 48 48 ILE HD11 H 1 0.238 0.006 . 1 . . . A 48 ILE QD1 . 18364 1 474 . 1 1 48 48 ILE HD12 H 1 0.238 0.006 . 1 . . . A 48 ILE QD1 . 18364 1 475 . 1 1 48 48 ILE HD13 H 1 0.238 0.006 . 1 . . . A 48 ILE QD1 . 18364 1 476 . 1 1 48 48 ILE CA C 13 58.314 0.160 . 1 . . . A 48 ILE CA . 18364 1 477 . 1 1 48 48 ILE CB C 13 36.129 0.160 . 1 . . . A 48 ILE CB . 18364 1 478 . 1 1 48 48 ILE CG1 C 13 23.447 0.160 . 1 . . . A 48 ILE CG1 . 18364 1 479 . 1 1 48 48 ILE CG2 C 13 15.313 0.160 . 1 . . . A 48 ILE CG2 . 18364 1 480 . 1 1 48 48 ILE CD1 C 13 11.405 0.160 . 1 . . . A 48 ILE CD1 . 18364 1 481 . 1 1 48 48 ILE N N 15 123.458 0.130 . 1 . . . A 48 ILE N . 18364 1 482 . 1 1 49 49 GLY H H 1 5.472 0.006 . 1 . . . A 49 GLY H . 18364 1 483 . 1 1 49 49 GLY HA2 H 1 4.413 0.006 . 2 . . . A 49 GLY HA2 . 18364 1 484 . 1 1 49 49 GLY HA3 H 1 3.168 0.006 . 2 . . . A 49 GLY HA3 . 18364 1 485 . 1 1 49 49 GLY CA C 13 41.367 0.160 . 1 . . . A 49 GLY CA . 18364 1 486 . 1 1 49 49 GLY N N 15 107.257 0.130 . 1 . . . A 49 GLY N . 18364 1 487 . 1 1 50 50 ASP H H 1 8.234 0.006 . 1 . . . A 50 ASP H . 18364 1 488 . 1 1 50 50 ASP HA H 1 5.043 0.006 . 1 . . . A 50 ASP HA . 18364 1 489 . 1 1 50 50 ASP HB2 H 1 2.522 0.006 . 2 . . . A 50 ASP QB . 18364 1 490 . 1 1 50 50 ASP HB3 H 1 2.522 0.006 . 2 . . . A 50 ASP QB . 18364 1 491 . 1 1 50 50 ASP CA C 13 50.588 0.160 . 1 . . . A 50 ASP CA . 18364 1 492 . 1 1 50 50 ASP CB C 13 37.448 0.160 . 1 . . . A 50 ASP CB . 18364 1 493 . 1 1 50 50 ASP N N 15 116.887 0.130 . 1 . . . A 50 ASP N . 18364 1 494 . 1 1 51 51 SER H H 1 7.689 0.006 . 1 . . . A 51 SER H . 18364 1 495 . 1 1 51 51 SER HA H 1 4.439 0.006 . 1 . . . A 51 SER HA . 18364 1 496 . 1 1 51 51 SER HB2 H 1 3.779 0.006 . 2 . . . A 51 SER HB2 . 18364 1 497 . 1 1 51 51 SER HB3 H 1 3.837 0.006 . 2 . . . A 51 SER HB3 . 18364 1 498 . 1 1 51 51 SER CA C 13 55.489 0.160 . 1 . . . A 51 SER CA . 18364 1 499 . 1 1 51 51 SER CB C 13 61.559 0.160 . 1 . . . A 51 SER CB . 18364 1 500 . 1 1 51 51 SER N N 15 112.664 0.130 . 1 . . . A 51 SER N . 18364 1 501 . 1 1 52 52 TYR H H 1 8.231 0.006 . 1 . . . A 52 TYR H . 18364 1 502 . 1 1 52 52 TYR HA H 1 4.732 0.006 . 1 . . . A 52 TYR HA . 18364 1 503 . 1 1 52 52 TYR HB2 H 1 2.535 0.006 . 2 . . . A 52 TYR HB2 . 18364 1 504 . 1 1 52 52 TYR HB3 H 1 2.575 0.006 . 2 . . . A 52 TYR HB3 . 18364 1 505 . 1 1 52 52 TYR HD1 H 1 6.808 0.006 . 3 . . . A 52 TYR QD . 18364 1 506 . 1 1 52 52 TYR HD2 H 1 6.808 0.006 . 3 . . . A 52 TYR QD . 18364 1 507 . 1 1 52 52 TYR HE1 H 1 6.505 0.006 . 3 . . . A 52 TYR HE1 . 18364 1 508 . 1 1 52 52 TYR HE2 H 1 6.538 0.006 . 3 . . . A 52 TYR HE2 . 18364 1 509 . 1 1 52 52 TYR CA C 13 55.168 0.160 . 1 . . . A 52 TYR CA . 18364 1 510 . 1 1 52 52 TYR CB C 13 38.599 0.160 . 1 . . . A 52 TYR CB . 18364 1 511 . 1 1 52 52 TYR CD1 C 13 129.728 0.160 . 3 . . . A 52 TYR CD1 . 18364 1 512 . 1 1 52 52 TYR CD2 C 13 129.730 0.160 . 3 . . . A 52 TYR CD2 . 18364 1 513 . 1 1 52 52 TYR CE1 C 13 115.289 0.160 . 3 . . . A 52 TYR CE1 . 18364 1 514 . 1 1 52 52 TYR CE2 C 13 115.290 0.160 . 3 . . . A 52 TYR CE2 . 18364 1 515 . 1 1 52 52 TYR N N 15 122.672 0.130 . 1 . . . A 52 TYR N . 18364 1 516 . 1 1 53 53 SER H H 1 8.008 0.006 . 1 . . . A 53 SER H . 18364 1 517 . 1 1 53 53 SER HA H 1 5.429 0.006 . 1 . . . A 53 SER HA . 18364 1 518 . 1 1 53 53 SER HB2 H 1 3.562 0.006 . 2 . . . A 53 SER QB . 18364 1 519 . 1 1 53 53 SER HB3 H 1 3.562 0.006 . 2 . . . A 53 SER QB . 18364 1 520 . 1 1 53 53 SER CA C 13 53.508 0.160 . 1 . . . A 53 SER CA . 18364 1 521 . 1 1 53 53 SER CB C 13 61.674 0.160 . 1 . . . A 53 SER CB . 18364 1 522 . 1 1 53 53 SER N N 15 123.803 0.130 . 1 . . . A 53 SER N . 18364 1 523 . 1 1 54 54 ALA H H 1 8.089 0.006 . 1 . . . A 54 ALA H . 18364 1 524 . 1 1 54 54 ALA HA H 1 4.289 0.006 . 1 . . . A 54 ALA HA . 18364 1 525 . 1 1 54 54 ALA HB1 H 1 1.002 0.006 . 1 . . . A 54 ALA QB . 18364 1 526 . 1 1 54 54 ALA HB2 H 1 1.002 0.006 . 1 . . . A 54 ALA QB . 18364 1 527 . 1 1 54 54 ALA HB3 H 1 1.002 0.006 . 1 . . . A 54 ALA QB . 18364 1 528 . 1 1 54 54 ALA CA C 13 49.097 0.160 . 1 . . . A 54 ALA CA . 18364 1 529 . 1 1 54 54 ALA CB C 13 20.259 0.160 . 1 . . . A 54 ALA CB . 18364 1 530 . 1 1 54 54 ALA N N 15 125.516 0.130 . 1 . . . A 54 ALA N . 18364 1 531 . 1 1 55 55 GLN H H 1 8.100 0.006 . 1 . . . A 55 GLN H . 18364 1 532 . 1 1 55 55 GLN HA H 1 4.975 0.006 . 1 . . . A 55 GLN HA . 18364 1 533 . 1 1 55 55 GLN HB2 H 1 1.879 0.006 . 2 . . . A 55 GLN HB2 . 18364 1 534 . 1 1 55 55 GLN HB3 H 1 1.747 0.006 . 2 . . . A 55 GLN HB3 . 18364 1 535 . 1 1 55 55 GLN HG2 H 1 2.321 0.006 . 2 . . . A 55 GLN HG2 . 18364 1 536 . 1 1 55 55 GLN HG3 H 1 2.062 0.006 . 2 . . . A 55 GLN HG3 . 18364 1 537 . 1 1 55 55 GLN HE21 H 1 6.789 0.006 . 2 . . . A 55 GLN HE21 . 18364 1 538 . 1 1 55 55 GLN HE22 H 1 7.711 0.006 . 2 . . . A 55 GLN HE22 . 18364 1 539 . 1 1 55 55 GLN CA C 13 52.306 0.160 . 1 . . . A 55 GLN CA . 18364 1 540 . 1 1 55 55 GLN CB C 13 26.138 0.160 . 1 . . . A 55 GLN CB . 18364 1 541 . 1 1 55 55 GLN CG C 13 31.397 0.160 . 1 . . . A 55 GLN CG . 18364 1 542 . 1 1 55 55 GLN N N 15 118.838 0.130 . 1 . . . A 55 GLN N . 18364 1 543 . 1 1 55 55 GLN NE2 N 15 111.128 0.130 . 1 . . . A 55 GLN NE2 . 18364 1 544 . 1 1 56 56 ILE H H 1 8.910 0.006 . 1 . . . A 56 ILE H . 18364 1 545 . 1 1 56 56 ILE HA H 1 4.246 0.006 . 1 . . . A 56 ILE HA . 18364 1 546 . 1 1 56 56 ILE HB H 1 1.813 0.006 . 1 . . . A 56 ILE HB . 18364 1 547 . 1 1 56 56 ILE HG12 H 1 1.402 0.006 . 2 . . . A 56 ILE HG12 . 18364 1 548 . 1 1 56 56 ILE HG13 H 1 1.293 0.006 . 2 . . . A 56 ILE HG13 . 18364 1 549 . 1 1 56 56 ILE HG21 H 1 0.879 0.006 . 1 . . . A 56 ILE QG2 . 18364 1 550 . 1 1 56 56 ILE HG22 H 1 0.879 0.006 . 1 . . . A 56 ILE QG2 . 18364 1 551 . 1 1 56 56 ILE HG23 H 1 0.879 0.006 . 1 . . . A 56 ILE QG2 . 18364 1 552 . 1 1 56 56 ILE HD11 H 1 0.725 0.006 . 1 . . . A 56 ILE QD1 . 18364 1 553 . 1 1 56 56 ILE HD12 H 1 0.725 0.006 . 1 . . . A 56 ILE QD1 . 18364 1 554 . 1 1 56 56 ILE HD13 H 1 0.725 0.006 . 1 . . . A 56 ILE QD1 . 18364 1 555 . 1 1 56 56 ILE CA C 13 57.529 0.160 . 1 . . . A 56 ILE CA . 18364 1 556 . 1 1 56 56 ILE CB C 13 34.915 0.160 . 1 . . . A 56 ILE CB . 18364 1 557 . 1 1 56 56 ILE CG1 C 13 24.263 0.160 . 1 . . . A 56 ILE CG1 . 18364 1 558 . 1 1 56 56 ILE CG2 C 13 15.278 0.160 . 1 . . . A 56 ILE CG2 . 18364 1 559 . 1 1 56 56 ILE CD1 C 13 10.018 0.160 . 1 . . . A 56 ILE CD1 . 18364 1 560 . 1 1 56 56 ILE N N 15 124.748 0.130 . 1 . . . A 56 ILE N . 18364 1 561 . 1 1 57 57 ARG H H 1 8.979 0.006 . 1 . . . A 57 ARG H . 18364 1 562 . 1 1 57 57 ARG HA H 1 4.777 0.006 . 1 . . . A 57 ARG HA . 18364 1 563 . 1 1 57 57 ARG HB2 H 1 2.082 0.006 . 2 . . . A 57 ARG HB2 . 18364 1 564 . 1 1 57 57 ARG HB3 H 1 1.607 0.006 . 2 . . . A 57 ARG HB3 . 18364 1 565 . 1 1 57 57 ARG HG2 H 1 1.534 0.006 . 2 . . . A 57 ARG QG . 18364 1 566 . 1 1 57 57 ARG HG3 H 1 1.534 0.006 . 2 . . . A 57 ARG QG . 18364 1 567 . 1 1 57 57 ARG HD2 H 1 3.135 0.006 . 2 . . . A 57 ARG QD . 18364 1 568 . 1 1 57 57 ARG HD3 H 1 3.135 0.006 . 2 . . . A 57 ARG QD . 18364 1 569 . 1 1 57 57 ARG CA C 13 52.455 0.160 . 1 . . . A 57 ARG CA . 18364 1 570 . 1 1 57 57 ARG CB C 13 28.839 0.160 . 1 . . . A 57 ARG CB . 18364 1 571 . 1 1 57 57 ARG CG C 13 25.052 0.160 . 1 . . . A 57 ARG CG . 18364 1 572 . 1 1 57 57 ARG CD C 13 40.746 0.160 . 1 . . . A 57 ARG CD . 18364 1 573 . 1 1 57 57 ARG N N 15 127.183 0.130 . 1 . . . A 57 ARG N . 18364 1 574 . 1 1 58 58 THR H H 1 7.150 0.006 . 1 . . . A 58 THR H . 18364 1 575 . 1 1 58 58 THR HA H 1 4.529 0.006 . 1 . . . A 58 THR HA . 18364 1 576 . 1 1 58 58 THR HB H 1 4.559 0.006 . 1 . . . A 58 THR HB . 18364 1 577 . 1 1 58 58 THR HG21 H 1 1.200 0.006 . 1 . . . A 58 THR QG2 . 18364 1 578 . 1 1 58 58 THR HG22 H 1 1.200 0.006 . 1 . . . A 58 THR QG2 . 18364 1 579 . 1 1 58 58 THR HG23 H 1 1.200 0.006 . 1 . . . A 58 THR QG2 . 18364 1 580 . 1 1 58 58 THR CA C 13 57.124 0.160 . 1 . . . A 58 THR CA . 18364 1 581 . 1 1 58 58 THR CB C 13 68.143 0.160 . 1 . . . A 58 THR CB . 18364 1 582 . 1 1 58 58 THR CG2 C 13 19.406 0.160 . 1 . . . A 58 THR CG2 . 18364 1 583 . 1 1 58 58 THR N N 15 109.995 0.130 . 1 . . . A 58 THR N . 18364 1 584 . 1 1 59 59 ALA H H 1 8.531 0.006 . 1 . . . A 59 ALA H . 18364 1 585 . 1 1 59 59 ALA HA H 1 4.167 0.006 . 1 . . . A 59 ALA HA . 18364 1 586 . 1 1 59 59 ALA HB1 H 1 1.537 0.006 . 1 . . . A 59 ALA QB . 18364 1 587 . 1 1 59 59 ALA HB2 H 1 1.537 0.006 . 1 . . . A 59 ALA QB . 18364 1 588 . 1 1 59 59 ALA HB3 H 1 1.537 0.006 . 1 . . . A 59 ALA QB . 18364 1 589 . 1 1 59 59 ALA CA C 13 52.603 0.160 . 1 . . . A 59 ALA CA . 18364 1 590 . 1 1 59 59 ALA CB C 13 16.910 0.160 . 1 . . . A 59 ALA CB . 18364 1 591 . 1 1 59 59 ALA N N 15 123.143 0.130 . 1 . . . A 59 ALA N . 18364 1 592 . 1 1 60 60 THR H H 1 7.521 0.006 . 1 . . . A 60 THR H . 18364 1 593 . 1 1 60 60 THR HA H 1 5.471 0.006 . 1 . . . A 60 THR HA . 18364 1 594 . 1 1 60 60 THR HB H 1 3.952 0.006 . 1 . . . A 60 THR HB . 18364 1 595 . 1 1 60 60 THR HG21 H 1 1.081 0.006 . 1 . . . A 60 THR QG2 . 18364 1 596 . 1 1 60 60 THR HG22 H 1 1.081 0.006 . 1 . . . A 60 THR QG2 . 18364 1 597 . 1 1 60 60 THR HG23 H 1 1.081 0.006 . 1 . . . A 60 THR QG2 . 18364 1 598 . 1 1 60 60 THR CA C 13 56.904 0.160 . 1 . . . A 60 THR CA . 18364 1 599 . 1 1 60 60 THR CB C 13 69.111 0.160 . 1 . . . A 60 THR CB . 18364 1 600 . 1 1 60 60 THR CG2 C 13 18.695 0.160 . 1 . . . A 60 THR CG2 . 18364 1 601 . 1 1 60 60 THR N N 15 105.988 0.130 . 1 . . . A 60 THR N . 18364 1 602 . 1 1 61 61 MET H H 1 8.758 0.006 . 1 . . . A 61 MET H . 18364 1 603 . 1 1 61 61 MET HA H 1 4.641 0.006 . 1 . . . A 61 MET HA . 18364 1 604 . 1 1 61 61 MET HB2 H 1 1.861 0.006 . 2 . . . A 61 MET HB2 . 18364 1 605 . 1 1 61 61 MET HB3 H 1 2.022 0.006 . 2 . . . A 61 MET HB3 . 18364 1 606 . 1 1 61 61 MET HG2 H 1 2.452 0.006 . 2 . . . A 61 MET HG2 . 18364 1 607 . 1 1 61 61 MET HG3 H 1 2.401 0.006 . 2 . . . A 61 MET HG3 . 18364 1 608 . 1 1 61 61 MET HE1 H 1 1.621 0.006 . 1 . . . A 61 MET QE . 18364 1 609 . 1 1 61 61 MET HE2 H 1 1.621 0.006 . 1 . . . A 61 MET QE . 18364 1 610 . 1 1 61 61 MET HE3 H 1 1.621 0.006 . 1 . . . A 61 MET QE . 18364 1 611 . 1 1 61 61 MET CA C 13 52.883 0.160 . 1 . . . A 61 MET CA . 18364 1 612 . 1 1 61 61 MET CB C 13 32.345 0.160 . 1 . . . A 61 MET CB . 18364 1 613 . 1 1 61 61 MET CG C 13 29.349 0.160 . 1 . . . A 61 MET CG . 18364 1 614 . 1 1 61 61 MET CE C 13 14.663 0.160 . 1 . . . A 61 MET CE . 18364 1 615 . 1 1 61 61 MET N N 15 124.706 0.130 . 1 . . . A 61 MET N . 18364 1 616 . 1 1 62 62 SER H H 1 8.164 0.006 . 1 . . . A 62 SER H . 18364 1 617 . 1 1 62 62 SER HA H 1 5.551 0.006 . 1 . . . A 62 SER HA . 18364 1 618 . 1 1 62 62 SER HB2 H 1 3.623 0.006 . 2 . . . A 62 SER HB2 . 18364 1 619 . 1 1 62 62 SER HB3 H 1 3.687 0.006 . 2 . . . A 62 SER HB3 . 18364 1 620 . 1 1 62 62 SER CA C 13 54.255 0.160 . 1 . . . A 62 SER CA . 18364 1 621 . 1 1 62 62 SER CB C 13 64.130 0.160 . 1 . . . A 62 SER CB . 18364 1 622 . 1 1 62 62 SER N N 15 117.004 0.130 . 1 . . . A 62 SER N . 18364 1 623 . 1 1 63 63 CYS H H 1 8.537 0.006 . 1 . . . A 63 CYS H . 18364 1 624 . 1 1 63 63 CYS HA H 1 5.075 0.006 . 1 . . . A 63 CYS HA . 18364 1 625 . 1 1 63 63 CYS HB2 H 1 2.440 0.006 . 2 . . . A 63 CYS HB2 . 18364 1 626 . 1 1 63 63 CYS HB3 H 1 2.477 0.006 . 2 . . . A 63 CYS HB3 . 18364 1 627 . 1 1 63 63 CYS CA C 13 54.676 0.160 . 1 . . . A 63 CYS CA . 18364 1 628 . 1 1 63 63 CYS CB C 13 28.679 0.160 . 1 . . . A 63 CYS CB . 18364 1 629 . 1 1 63 63 CYS N N 15 120.270 0.130 . 1 . . . A 63 CYS N . 18364 1 630 . 1 1 64 64 CYS H H 1 9.307 0.006 . 1 . . . A 64 CYS H . 18364 1 631 . 1 1 64 64 CYS HA H 1 5.918 0.006 . 1 . . . A 64 CYS HA . 18364 1 632 . 1 1 64 64 CYS HB2 H 1 3.164 0.006 . 2 . . . A 64 CYS HB2 . 18364 1 633 . 1 1 64 64 CYS HB3 H 1 2.599 0.006 . 2 . . . A 64 CYS HB3 . 18364 1 634 . 1 1 64 64 CYS CA C 13 53.204 0.160 . 1 . . . A 64 CYS CA . 18364 1 635 . 1 1 64 64 CYS CB C 13 30.216 0.160 . 1 . . . A 64 CYS CB . 18364 1 636 . 1 1 64 64 CYS N N 15 120.868 0.130 . 1 . . . A 64 CYS N . 18364 1 637 . 1 1 65 65 THR H H 1 8.447 0.006 . 1 . . . A 65 THR H . 18364 1 638 . 1 1 65 65 THR HA H 1 5.426 0.006 . 1 . . . A 65 THR HA . 18364 1 639 . 1 1 65 65 THR HB H 1 4.868 0.006 . 1 . . . A 65 THR HB . 18364 1 640 . 1 1 65 65 THR HG21 H 1 1.057 0.006 . 1 . . . A 65 THR QG2 . 18364 1 641 . 1 1 65 65 THR HG22 H 1 1.057 0.006 . 1 . . . A 65 THR QG2 . 18364 1 642 . 1 1 65 65 THR HG23 H 1 1.057 0.006 . 1 . . . A 65 THR QG2 . 18364 1 643 . 1 1 65 65 THR CA C 13 58.465 0.160 . 1 . . . A 65 THR CA . 18364 1 644 . 1 1 65 65 THR CB C 13 69.665 0.160 . 1 . . . A 65 THR CB . 18364 1 645 . 1 1 65 65 THR CG2 C 13 17.873 0.160 . 1 . . . A 65 THR CG2 . 18364 1 646 . 1 1 65 65 THR N N 15 109.830 0.130 . 1 . . . A 65 THR N . 18364 1 647 . 1 1 66 66 ASN H H 1 9.300 0.006 . 1 . . . A 66 ASN H . 18364 1 648 . 1 1 66 66 ASN HA H 1 4.656 0.006 . 1 . . . A 66 ASN HA . 18364 1 649 . 1 1 66 66 ASN HB2 H 1 3.079 0.006 . 2 . . . A 66 ASN HB2 . 18364 1 650 . 1 1 66 66 ASN HB3 H 1 2.816 0.006 . 2 . . . A 66 ASN HB3 . 18364 1 651 . 1 1 66 66 ASN HD21 H 1 7.642 0.006 . 2 . . . A 66 ASN HD21 . 18364 1 652 . 1 1 66 66 ASN HD22 H 1 7.168 0.006 . 2 . . . A 66 ASN HD22 . 18364 1 653 . 1 1 66 66 ASN CA C 13 49.879 0.160 . 1 . . . A 66 ASN CA . 18364 1 654 . 1 1 66 66 ASN CB C 13 36.267 0.160 . 1 . . . A 66 ASN CB . 18364 1 655 . 1 1 66 66 ASN N N 15 114.459 0.130 . 1 . . . A 66 ASN N . 18364 1 656 . 1 1 66 66 ASN ND2 N 15 112.832 0.130 . 1 . . . A 66 ASN ND2 . 18364 1 657 . 1 1 67 67 GLY H H 1 8.237 0.006 . 1 . . . A 67 GLY H . 18364 1 658 . 1 1 67 67 GLY HA2 H 1 3.813 0.006 . 2 . . . A 67 GLY HA2 . 18364 1 659 . 1 1 67 67 GLY HA3 H 1 3.584 0.006 . 2 . . . A 67 GLY HA3 . 18364 1 660 . 1 1 67 67 GLY CA C 13 43.796 0.160 . 1 . . . A 67 GLY CA . 18364 1 661 . 1 1 67 67 GLY N N 15 103.647 0.130 . 1 . . . A 67 GLY N . 18364 1 662 . 1 1 69 69 ALA H H 1 7.677 0.006 . 1 . . . A 69 ALA H . 18364 1 663 . 1 1 69 69 ALA HA H 1 4.244 0.006 . 1 . . . A 69 ALA HA . 18364 1 664 . 1 1 69 69 ALA HB1 H 1 1.399 0.006 . 1 . . . A 69 ALA QB . 18364 1 665 . 1 1 69 69 ALA HB2 H 1 1.399 0.006 . 1 . . . A 69 ALA QB . 18364 1 666 . 1 1 69 69 ALA HB3 H 1 1.399 0.006 . 1 . . . A 69 ALA QB . 18364 1 667 . 1 1 69 69 ALA CA C 13 49.758 0.160 . 1 . . . A 69 ALA CA . 18364 1 668 . 1 1 69 69 ALA CB C 13 17.376 0.160 . 1 . . . A 69 ALA CB . 18364 1 669 . 1 1 69 69 ALA N N 15 121.911 0.130 . 1 . . . A 69 ALA N . 18364 1 670 . 1 1 70 70 PHE H H 1 8.549 0.006 . 1 . . . A 70 PHE H . 18364 1 671 . 1 1 70 70 PHE HA H 1 4.965 0.006 . 1 . . . A 70 PHE HA . 18364 1 672 . 1 1 70 70 PHE HB2 H 1 3.028 0.006 . 2 . . . A 70 PHE HB2 . 18364 1 673 . 1 1 70 70 PHE HB3 H 1 2.738 0.006 . 2 . . . A 70 PHE HB3 . 18364 1 674 . 1 1 70 70 PHE HD1 H 1 6.874 0.006 . 3 . . . A 70 PHE QD . 18364 1 675 . 1 1 70 70 PHE HD2 H 1 6.874 0.006 . 3 . . . A 70 PHE QD . 18364 1 676 . 1 1 70 70 PHE HE1 H 1 7.086 0.006 . 3 . . . A 70 PHE QE . 18364 1 677 . 1 1 70 70 PHE HE2 H 1 7.086 0.006 . 3 . . . A 70 PHE QE . 18364 1 678 . 1 1 70 70 PHE CA C 13 53.129 0.160 . 1 . . . A 70 PHE CA . 18364 1 679 . 1 1 70 70 PHE CB C 13 37.917 0.160 . 1 . . . A 70 PHE CB . 18364 1 680 . 1 1 70 70 PHE CD1 C 13 127.742 0.160 . 3 . . . A 70 PHE CD1 . 18364 1 681 . 1 1 70 70 PHE CE1 C 13 128.525 0.160 . 3 . . . A 70 PHE CE1 . 18364 1 682 . 1 1 70 70 PHE CE2 C 13 128.257 0.160 . 3 . . . A 70 PHE CE2 . 18364 1 683 . 1 1 70 70 PHE N N 15 114.118 0.130 . 1 . . . A 70 PHE N . 18364 1 684 . 1 1 71 71 PHE H H 1 6.617 0.006 . 1 . . . A 71 PHE H . 18364 1 685 . 1 1 71 71 PHE HA H 1 4.247 0.006 . 1 . . . A 71 PHE HA . 18364 1 686 . 1 1 71 71 PHE HB2 H 1 3.212 0.006 . 2 . . . A 71 PHE HB2 . 18364 1 687 . 1 1 71 71 PHE HB3 H 1 2.817 0.006 . 2 . . . A 71 PHE HB3 . 18364 1 688 . 1 1 71 71 PHE HD1 H 1 6.775 0.006 . 3 . . . A 71 PHE QD . 18364 1 689 . 1 1 71 71 PHE HD2 H 1 6.775 0.006 . 3 . . . A 71 PHE QD . 18364 1 690 . 1 1 71 71 PHE HE1 H 1 7.187 0.006 . 3 . . . A 71 PHE QE . 18364 1 691 . 1 1 71 71 PHE HE2 H 1 7.187 0.006 . 3 . . . A 71 PHE QE . 18364 1 692 . 1 1 71 71 PHE CA C 13 54.475 0.160 . 1 . . . A 71 PHE CA . 18364 1 693 . 1 1 71 71 PHE CB C 13 38.123 0.160 . 1 . . . A 71 PHE CB . 18364 1 694 . 1 1 71 71 PHE CD1 C 13 129.115 0.160 . 3 . . . A 71 PHE CD1 . 18364 1 695 . 1 1 71 71 PHE CD2 C 13 129.120 0.160 . 3 . . . A 71 PHE CD2 . 18364 1 696 . 1 1 71 71 PHE CE1 C 13 128.900 0.160 . 3 . . . A 71 PHE CE1 . 18364 1 697 . 1 1 71 71 PHE CE2 C 13 128.900 0.160 . 3 . . . A 71 PHE CE2 . 18364 1 698 . 1 1 71 71 PHE N N 15 110.252 0.130 . 1 . . . A 71 PHE N . 18364 1 699 . 1 1 72 72 MET H H 1 8.162 0.006 . 1 . . . A 72 MET H . 18364 1 700 . 1 1 72 72 MET HA H 1 4.800 0.006 . 1 . . . A 72 MET HA . 18364 1 701 . 1 1 72 72 MET HB2 H 1 1.851 0.006 . 2 . . . A 72 MET QB . 18364 1 702 . 1 1 72 72 MET HB3 H 1 1.851 0.006 . 2 . . . A 72 MET QB . 18364 1 703 . 1 1 72 72 MET HG2 H 1 2.111 0.006 . 2 . . . A 72 MET HG2 . 18364 1 704 . 1 1 72 72 MET HG3 H 1 2.224 0.006 . 2 . . . A 72 MET HG3 . 18364 1 705 . 1 1 72 72 MET HE1 H 1 1.722 0.006 . 1 . . . A 72 MET QE . 18364 1 706 . 1 1 72 72 MET HE2 H 1 1.722 0.006 . 1 . . . A 72 MET QE . 18364 1 707 . 1 1 72 72 MET HE3 H 1 1.722 0.006 . 1 . . . A 72 MET QE . 18364 1 708 . 1 1 72 72 MET CA C 13 53.108 0.160 . 1 . . . A 72 MET CA . 18364 1 709 . 1 1 72 72 MET CB C 13 35.826 0.160 . 1 . . . A 72 MET CB . 18364 1 710 . 1 1 72 72 MET CG C 13 30.321 0.160 . 1 . . . A 72 MET CG . 18364 1 711 . 1 1 72 72 MET CE C 13 15.983 0.160 . 1 . . . A 72 MET CE . 18364 1 712 . 1 1 72 72 MET N N 15 118.637 0.130 . 1 . . . A 72 MET N . 18364 1 713 . 1 1 73 73 THR H H 1 9.220 0.006 . 1 . . . A 73 THR H . 18364 1 714 . 1 1 73 73 THR HA H 1 5.018 0.006 . 1 . . . A 73 THR HA . 18364 1 715 . 1 1 73 73 THR HB H 1 3.991 0.006 . 1 . . . A 73 THR HB . 18364 1 716 . 1 1 73 73 THR HG21 H 1 1.098 0.006 . 1 . . . A 73 THR QG2 . 18364 1 717 . 1 1 73 73 THR HG22 H 1 1.098 0.006 . 1 . . . A 73 THR QG2 . 18364 1 718 . 1 1 73 73 THR HG23 H 1 1.098 0.006 . 1 . . . A 73 THR QG2 . 18364 1 719 . 1 1 73 73 THR CA C 13 58.316 0.160 . 1 . . . A 73 THR CA . 18364 1 720 . 1 1 73 73 THR CB C 13 69.118 0.160 . 1 . . . A 73 THR CB . 18364 1 721 . 1 1 73 73 THR CG2 C 13 18.722 0.160 . 1 . . . A 73 THR CG2 . 18364 1 722 . 1 1 73 73 THR N N 15 117.278 0.130 . 1 . . . A 73 THR N . 18364 1 723 . 1 1 74 74 CYS H H 1 8.958 0.006 . 1 . . . A 74 CYS H . 18364 1 724 . 1 1 74 74 CYS HA H 1 5.076 0.006 . 1 . . . A 74 CYS HA . 18364 1 725 . 1 1 74 74 CYS HB2 H 1 2.934 0.006 . 2 . . . A 74 CYS HB2 . 18364 1 726 . 1 1 74 74 CYS HB3 H 1 2.456 0.006 . 2 . . . A 74 CYS HB3 . 18364 1 727 . 1 1 74 74 CYS CA C 13 54.219 0.160 . 1 . . . A 74 CYS CA . 18364 1 728 . 1 1 74 74 CYS CB C 13 27.012 0.160 . 1 . . . A 74 CYS CB . 18364 1 729 . 1 1 74 74 CYS N N 15 124.101 0.130 . 1 . . . A 74 CYS N . 18364 1 730 . 1 1 75 75 ALA H H 1 8.834 0.006 . 1 . . . A 75 ALA H . 18364 1 731 . 1 1 75 75 ALA HA H 1 4.975 0.006 . 1 . . . A 75 ALA HA . 18364 1 732 . 1 1 75 75 ALA HB1 H 1 1.319 0.006 . 1 . . . A 75 ALA QB . 18364 1 733 . 1 1 75 75 ALA HB2 H 1 1.319 0.006 . 1 . . . A 75 ALA QB . 18364 1 734 . 1 1 75 75 ALA HB3 H 1 1.319 0.006 . 1 . . . A 75 ALA QB . 18364 1 735 . 1 1 75 75 ALA CA C 13 47.826 0.160 . 1 . . . A 75 ALA CA . 18364 1 736 . 1 1 75 75 ALA CB C 13 18.111 0.160 . 1 . . . A 75 ALA CB . 18364 1 737 . 1 1 75 75 ALA N N 15 132.901 0.130 . 1 . . . A 75 ALA N . 18364 1 738 . 1 1 76 76 GLY H H 1 8.265 0.006 . 1 . . . A 76 GLY H . 18364 1 739 . 1 1 76 76 GLY HA2 H 1 2.315 0.006 . 2 . . . A 76 GLY QA . 18364 1 740 . 1 1 76 76 GLY HA3 H 1 2.315 0.006 . 2 . . . A 76 GLY QA . 18364 1 741 . 1 1 76 76 GLY CA C 13 41.784 0.160 . 1 . . . A 76 GLY CA . 18364 1 742 . 1 1 76 76 GLY N N 15 110.691 0.130 . 1 . . . A 76 GLY N . 18364 1 743 . 1 1 77 77 SER H H 1 8.723 0.006 . 1 . . . A 77 SER H . 18364 1 744 . 1 1 77 77 SER HA H 1 4.980 0.006 . 1 . . . A 77 SER HA . 18364 1 745 . 1 1 77 77 SER HB2 H 1 3.533 0.006 . 2 . . . A 77 SER HB2 . 18364 1 746 . 1 1 77 77 SER HB3 H 1 3.497 0.006 . 2 . . . A 77 SER HB3 . 18364 1 747 . 1 1 77 77 SER CA C 13 54.022 0.160 . 1 . . . A 77 SER CA . 18364 1 748 . 1 1 77 77 SER CB C 13 62.987 0.160 . 1 . . . A 77 SER CB . 18364 1 749 . 1 1 77 77 SER N N 15 115.145 0.130 . 1 . . . A 77 SER N . 18364 1 750 . 1 1 78 78 VAL H H 1 8.963 0.006 . 1 . . . A 78 VAL H . 18364 1 751 . 1 1 78 78 VAL HA H 1 4.634 0.006 . 1 . . . A 78 VAL HA . 18364 1 752 . 1 1 78 78 VAL HB H 1 1.284 0.006 . 1 . . . A 78 VAL HB . 18364 1 753 . 1 1 78 78 VAL HG11 H 1 0.630 0.006 . 2 . . . A 78 VAL QG1 . 18364 1 754 . 1 1 78 78 VAL HG12 H 1 0.630 0.006 . 2 . . . A 78 VAL QG1 . 18364 1 755 . 1 1 78 78 VAL HG13 H 1 0.630 0.006 . 2 . . . A 78 VAL QG1 . 18364 1 756 . 1 1 78 78 VAL HG21 H 1 0.226 0.006 . 2 . . . A 78 VAL QG2 . 18364 1 757 . 1 1 78 78 VAL HG22 H 1 0.226 0.006 . 2 . . . A 78 VAL QG2 . 18364 1 758 . 1 1 78 78 VAL HG23 H 1 0.226 0.006 . 2 . . . A 78 VAL QG2 . 18364 1 759 . 1 1 78 78 VAL CA C 13 58.437 0.160 . 1 . . . A 78 VAL CA . 18364 1 760 . 1 1 78 78 VAL CB C 13 32.177 0.160 . 1 . . . A 78 VAL CB . 18364 1 761 . 1 1 78 78 VAL CG1 C 13 18.237 0.160 . 2 . . . A 78 VAL CG1 . 18364 1 762 . 1 1 78 78 VAL CG2 C 13 18.826 0.160 . 2 . . . A 78 VAL CG2 . 18364 1 763 . 1 1 78 78 VAL N N 15 124.775 0.130 . 1 . . . A 78 VAL N . 18364 1 764 . 1 1 79 79 SER H H 1 8.661 0.006 . 1 . . . A 79 SER H . 18364 1 765 . 1 1 79 79 SER HA H 1 5.619 0.006 . 1 . . . A 79 SER HA . 18364 1 766 . 1 1 79 79 SER HB2 H 1 3.710 0.006 . 2 . . . A 79 SER HB2 . 18364 1 767 . 1 1 79 79 SER HB3 H 1 3.797 0.006 . 2 . . . A 79 SER HB3 . 18364 1 768 . 1 1 79 79 SER CA C 13 53.011 0.160 . 1 . . . A 79 SER CA . 18364 1 769 . 1 1 79 79 SER CB C 13 64.197 0.160 . 1 . . . A 79 SER CB . 18364 1 770 . 1 1 79 79 SER N N 15 118.951 0.130 . 1 . . . A 79 SER N . 18364 1 771 . 1 1 80 80 SER H H 1 8.563 0.006 . 1 . . . A 80 SER H . 18364 1 772 . 1 1 80 80 SER HA H 1 4.439 0.006 . 1 . . . A 80 SER HA . 18364 1 773 . 1 1 80 80 SER HB2 H 1 3.410 0.006 . 2 . . . A 80 SER HB2 . 18364 1 774 . 1 1 80 80 SER HB3 H 1 3.005 0.006 . 2 . . . A 80 SER HB3 . 18364 1 775 . 1 1 80 80 SER CA C 13 56.198 0.160 . 1 . . . A 80 SER CA . 18364 1 776 . 1 1 80 80 SER CB C 13 63.490 0.160 . 1 . . . A 80 SER CB . 18364 1 777 . 1 1 80 80 SER N N 15 114.750 0.130 . 1 . . . A 80 SER N . 18364 1 778 . 1 1 81 81 ILE H H 1 8.366 0.006 . 1 . . . A 81 ILE H . 18364 1 779 . 1 1 81 81 ILE HA H 1 4.576 0.006 . 1 . . . A 81 ILE HA . 18364 1 780 . 1 1 81 81 ILE HB H 1 2.082 0.006 . 1 . . . A 81 ILE HB . 18364 1 781 . 1 1 81 81 ILE HG12 H 1 1.061 0.006 . 2 . . . A 81 ILE HG12 . 18364 1 782 . 1 1 81 81 ILE HG13 H 1 0.903 0.006 . 2 . . . A 81 ILE HG13 . 18364 1 783 . 1 1 81 81 ILE HG21 H 1 0.842 0.006 . 1 . . . A 81 ILE QG2 . 18364 1 784 . 1 1 81 81 ILE HG22 H 1 0.842 0.006 . 1 . . . A 81 ILE QG2 . 18364 1 785 . 1 1 81 81 ILE HG23 H 1 0.842 0.006 . 1 . . . A 81 ILE QG2 . 18364 1 786 . 1 1 81 81 ILE HD11 H 1 0.725 0.006 . 1 . . . A 81 ILE QD1 . 18364 1 787 . 1 1 81 81 ILE HD12 H 1 0.725 0.006 . 1 . . . A 81 ILE QD1 . 18364 1 788 . 1 1 81 81 ILE HD13 H 1 0.725 0.006 . 1 . . . A 81 ILE QD1 . 18364 1 789 . 1 1 81 81 ILE CA C 13 57.951 0.160 . 1 . . . A 81 ILE CA . 18364 1 790 . 1 1 81 81 ILE CB C 13 36.011 0.160 . 1 . . . A 81 ILE CB . 18364 1 791 . 1 1 81 81 ILE CG1 C 13 24.013 0.160 . 1 . . . A 81 ILE CG1 . 18364 1 792 . 1 1 81 81 ILE CG2 C 13 16.084 0.160 . 1 . . . A 81 ILE CG2 . 18364 1 793 . 1 1 81 81 ILE CD1 C 13 11.806 0.160 . 1 . . . A 81 ILE CD1 . 18364 1 794 . 1 1 81 81 ILE N N 15 120.003 0.130 . 1 . . . A 81 ILE N . 18364 1 795 . 1 1 82 82 SER H H 1 8.204 0.006 . 1 . . . A 82 SER H . 18364 1 796 . 1 1 82 82 SER HA H 1 4.158 0.006 . 1 . . . A 82 SER HA . 18364 1 797 . 1 1 82 82 SER HB2 H 1 3.716 0.006 . 2 . . . A 82 SER HB2 . 18364 1 798 . 1 1 82 82 SER HB3 H 1 3.566 0.006 . 2 . . . A 82 SER HB3 . 18364 1 799 . 1 1 82 82 SER CA C 13 56.910 0.160 . 1 . . . A 82 SER CA . 18364 1 800 . 1 1 82 82 SER CB C 13 62.055 0.160 . 1 . . . A 82 SER CB . 18364 1 801 . 1 1 82 82 SER N N 15 119.139 0.130 . 1 . . . A 82 SER N . 18364 1 802 . 1 1 83 83 GLU H H 1 8.381 0.006 . 1 . . . A 83 GLU H . 18364 1 803 . 1 1 83 83 GLU HA H 1 4.133 0.006 . 1 . . . A 83 GLU HA . 18364 1 804 . 1 1 83 83 GLU HB2 H 1 1.957 0.006 . 2 . . . A 83 GLU HB2 . 18364 1 805 . 1 1 83 83 GLU HB3 H 1 2.018 0.006 . 2 . . . A 83 GLU HB3 . 18364 1 806 . 1 1 83 83 GLU HG2 H 1 2.167 0.006 . 2 . . . A 83 GLU QG . 18364 1 807 . 1 1 83 83 GLU HG3 H 1 2.167 0.006 . 2 . . . A 83 GLU QG . 18364 1 808 . 1 1 83 83 GLU CA C 13 53.267 0.160 . 1 . . . A 83 GLU CA . 18364 1 809 . 1 1 83 83 GLU CB C 13 27.763 0.160 . 1 . . . A 83 GLU CB . 18364 1 810 . 1 1 83 83 GLU CG C 13 33.201 0.160 . 1 . . . A 83 GLU CG . 18364 1 811 . 1 1 83 83 GLU N N 15 118.350 0.130 . 1 . . . A 83 GLU N . 18364 1 812 . 1 1 84 84 ALA H H 1 8.482 0.006 . 1 . . . A 84 ALA H . 18364 1 813 . 1 1 84 84 ALA HA H 1 3.542 0.006 . 1 . . . A 84 ALA HA . 18364 1 814 . 1 1 84 84 ALA HB1 H 1 1.138 0.006 . 1 . . . A 84 ALA QB . 18364 1 815 . 1 1 84 84 ALA HB2 H 1 1.138 0.006 . 1 . . . A 84 ALA QB . 18364 1 816 . 1 1 84 84 ALA HB3 H 1 1.138 0.006 . 1 . . . A 84 ALA QB . 18364 1 817 . 1 1 84 84 ALA CA C 13 50.621 0.160 . 1 . . . A 84 ALA CA . 18364 1 818 . 1 1 84 84 ALA CB C 13 16.540 0.160 . 1 . . . A 84 ALA CB . 18364 1 819 . 1 1 84 84 ALA N N 15 121.665 0.130 . 1 . . . A 84 ALA N . 18364 1 820 . 1 1 85 85 GLY H H 1 8.078 0.006 . 1 . . . A 85 GLY H . 18364 1 821 . 1 1 85 85 GLY HA2 H 1 3.493 0.006 . 2 . . . A 85 GLY HA2 . 18364 1 822 . 1 1 85 85 GLY HA3 H 1 4.209 0.006 . 2 . . . A 85 GLY HA3 . 18364 1 823 . 1 1 85 85 GLY CA C 13 42.955 0.160 . 1 . . . A 85 GLY CA . 18364 1 824 . 1 1 85 85 GLY N N 15 108.356 0.130 . 1 . . . A 85 GLY N . 18364 1 825 . 1 1 86 86 LYS H H 1 8.225 0.006 . 1 . . . A 86 LYS H . 18364 1 826 . 1 1 86 86 LYS HA H 1 4.638 0.006 . 1 . . . A 86 LYS HA . 18364 1 827 . 1 1 86 86 LYS HB2 H 1 2.060 0.006 . 2 . . . A 86 LYS HB2 . 18364 1 828 . 1 1 86 86 LYS HB3 H 1 1.701 0.006 . 2 . . . A 86 LYS HB3 . 18364 1 829 . 1 1 86 86 LYS HG2 H 1 1.311 0.006 . 2 . . . A 86 LYS QG . 18364 1 830 . 1 1 86 86 LYS HG3 H 1 1.311 0.006 . 2 . . . A 86 LYS QG . 18364 1 831 . 1 1 86 86 LYS HD2 H 1 1.533 0.006 . 2 . . . A 86 LYS HD2 . 18364 1 832 . 1 1 86 86 LYS HD3 H 1 1.350 0.006 . 2 . . . A 86 LYS HD3 . 18364 1 833 . 1 1 86 86 LYS CA C 13 51.073 0.160 . 1 . . . A 86 LYS CA . 18364 1 834 . 1 1 86 86 LYS CB C 13 29.750 0.160 . 1 . . . A 86 LYS CB . 18364 1 835 . 1 1 86 86 LYS CG C 13 21.417 0.160 . 1 . . . A 86 LYS CG . 18364 1 836 . 1 1 86 86 LYS CD C 13 25.392 0.160 . 1 . . . A 86 LYS CD . 18364 1 837 . 1 1 86 86 LYS N N 15 121.491 0.130 . 1 . . . A 86 LYS N . 18364 1 838 . 1 1 87 87 ARG H H 1 9.979 0.006 . 1 . . . A 87 ARG H . 18364 1 839 . 1 1 87 87 ARG HA H 1 5.673 0.006 . 1 . . . A 87 ARG HA . 18364 1 840 . 1 1 87 87 ARG HB2 H 1 1.736 0.006 . 2 . . . A 87 ARG HB2 . 18364 1 841 . 1 1 87 87 ARG HB3 H 1 1.647 0.006 . 2 . . . A 87 ARG HB3 . 18364 1 842 . 1 1 87 87 ARG HG2 H 1 1.404 0.006 . 2 . . . A 87 ARG HG2 . 18364 1 843 . 1 1 87 87 ARG HG3 H 1 1.527 0.006 . 2 . . . A 87 ARG HG3 . 18364 1 844 . 1 1 87 87 ARG HD2 H 1 3.109 0.006 . 2 . . . A 87 ARG QD . 18364 1 845 . 1 1 87 87 ARG HD3 H 1 3.109 0.006 . 2 . . . A 87 ARG QD . 18364 1 846 . 1 1 87 87 ARG CA C 13 52.139 0.160 . 1 . . . A 87 ARG CA . 18364 1 847 . 1 1 87 87 ARG CB C 13 32.163 0.160 . 1 . . . A 87 ARG CB . 18364 1 848 . 1 1 87 87 ARG CG C 13 25.113 0.160 . 1 . . . A 87 ARG CG . 18364 1 849 . 1 1 87 87 ARG CD C 13 40.959 0.160 . 1 . . . A 87 ARG CD . 18364 1 850 . 1 1 87 87 ARG N N 15 121.874 0.130 . 1 . . . A 87 ARG N . 18364 1 851 . 1 1 88 88 LEU H H 1 8.756 0.006 . 1 . . . A 88 LEU H . 18364 1 852 . 1 1 88 88 LEU HA H 1 4.562 0.006 . 1 . . . A 88 LEU HA . 18364 1 853 . 1 1 88 88 LEU HB2 H 1 0.639 0.006 . 2 . . . A 88 LEU HB2 . 18364 1 854 . 1 1 88 88 LEU HB3 H 1 -0.457 0.006 . 2 . . . A 88 LEU HB3 . 18364 1 855 . 1 1 88 88 LEU HD11 H 1 0.585 0.006 . 2 . . . A 88 LEU QD1 . 18364 1 856 . 1 1 88 88 LEU HD12 H 1 0.585 0.006 . 2 . . . A 88 LEU QD1 . 18364 1 857 . 1 1 88 88 LEU HD13 H 1 0.585 0.006 . 2 . . . A 88 LEU QD1 . 18364 1 858 . 1 1 88 88 LEU HD21 H 1 0.177 0.006 . 2 . . . A 88 LEU QD2 . 18364 1 859 . 1 1 88 88 LEU HD22 H 1 0.177 0.006 . 2 . . . A 88 LEU QD2 . 18364 1 860 . 1 1 88 88 LEU HD23 H 1 0.177 0.006 . 2 . . . A 88 LEU QD2 . 18364 1 861 . 1 1 88 88 LEU CA C 13 50.284 0.160 . 1 . . . A 88 LEU CA . 18364 1 862 . 1 1 88 88 LEU CB C 13 42.309 0.160 . 1 . . . A 88 LEU CB . 18364 1 863 . 1 1 88 88 LEU CD1 C 13 20.636 0.160 . 2 . . . A 88 LEU CD1 . 18364 1 864 . 1 1 88 88 LEU CD2 C 13 24.167 0.160 . 2 . . . A 88 LEU CD2 . 18364 1 865 . 1 1 88 88 LEU N N 15 125.264 0.130 . 1 . . . A 88 LEU N . 18364 1 866 . 1 1 89 89 HIS H H 1 8.910 0.006 . 1 . . . A 89 HIS H . 18364 1 867 . 1 1 89 89 HIS HA H 1 5.188 0.006 . 1 . . . A 89 HIS HA . 18364 1 868 . 1 1 89 89 HIS HB2 H 1 2.824 0.006 . 2 . . . A 89 HIS HB2 . 18364 1 869 . 1 1 89 89 HIS HB3 H 1 3.160 0.006 . 2 . . . A 89 HIS HB3 . 18364 1 870 . 1 1 89 89 HIS HD2 H 1 6.884 0.006 . 1 . . . A 89 HIS HD2 . 18364 1 871 . 1 1 89 89 HIS HE1 H 1 8.273 0.006 . 1 . . . A 89 HIS HE1 . 18364 1 872 . 1 1 89 89 HIS CA C 13 51.389 0.160 . 1 . . . A 89 HIS CA . 18364 1 873 . 1 1 89 89 HIS CB C 13 27.731 0.160 . 1 . . . A 89 HIS CB . 18364 1 874 . 1 1 89 89 HIS CD2 C 13 116.826 0.160 . 1 . . . A 89 HIS CD2 . 18364 1 875 . 1 1 89 89 HIS CE1 C 13 133.080 0.160 . 1 . . . A 89 HIS CE1 . 18364 1 876 . 1 1 89 89 HIS N N 15 125.453 0.130 . 1 . . . A 89 HIS N . 18364 1 877 . 1 1 90 90 ILE H H 1 8.689 0.006 . 1 . . . A 90 ILE H . 18364 1 878 . 1 1 90 90 ILE HA H 1 5.020 0.006 . 1 . . . A 90 ILE HA . 18364 1 879 . 1 1 90 90 ILE HB H 1 1.355 0.006 . 1 . . . A 90 ILE HB . 18364 1 880 . 1 1 90 90 ILE HG12 H 1 1.231 0.006 . 2 . . . A 90 ILE HG12 . 18364 1 881 . 1 1 90 90 ILE HG13 H 1 0.869 0.006 . 2 . . . A 90 ILE HG13 . 18364 1 882 . 1 1 90 90 ILE HG21 H 1 0.405 0.006 . 1 . . . A 90 ILE QG2 . 18364 1 883 . 1 1 90 90 ILE HG22 H 1 0.405 0.006 . 1 . . . A 90 ILE QG2 . 18364 1 884 . 1 1 90 90 ILE HG23 H 1 0.405 0.006 . 1 . . . A 90 ILE QG2 . 18364 1 885 . 1 1 90 90 ILE HD11 H 1 0.471 0.006 . 1 . . . A 90 ILE QD1 . 18364 1 886 . 1 1 90 90 ILE HD12 H 1 0.471 0.006 . 1 . . . A 90 ILE QD1 . 18364 1 887 . 1 1 90 90 ILE HD13 H 1 0.471 0.006 . 1 . . . A 90 ILE QD1 . 18364 1 888 . 1 1 90 90 ILE CA C 13 55.642 0.160 . 1 . . . A 90 ILE CA . 18364 1 889 . 1 1 90 90 ILE CB C 13 38.696 0.160 . 1 . . . A 90 ILE CB . 18364 1 890 . 1 1 90 90 ILE CG1 C 13 24.977 0.160 . 1 . . . A 90 ILE CG1 . 18364 1 891 . 1 1 90 90 ILE CG2 C 13 14.218 0.160 . 1 . . . A 90 ILE CG2 . 18364 1 892 . 1 1 90 90 ILE CD1 C 13 10.675 0.160 . 1 . . . A 90 ILE CD1 . 18364 1 893 . 1 1 90 90 ILE N N 15 126.486 0.130 . 1 . . . A 90 ILE N . 18364 1 894 . 1 1 91 91 THR H H 1 8.636 0.006 . 1 . . . A 91 THR H . 18364 1 895 . 1 1 91 91 THR HA H 1 5.017 0.006 . 1 . . . A 91 THR HA . 18364 1 896 . 1 1 91 91 THR HB H 1 3.766 0.006 . 1 . . . A 91 THR HB . 18364 1 897 . 1 1 91 91 THR HG21 H 1 1.036 0.006 . 1 . . . A 91 THR QG2 . 18364 1 898 . 1 1 91 91 THR HG22 H 1 1.036 0.006 . 1 . . . A 91 THR QG2 . 18364 1 899 . 1 1 91 91 THR HG23 H 1 1.036 0.006 . 1 . . . A 91 THR QG2 . 18364 1 900 . 1 1 91 91 THR CA C 13 58.555 0.160 . 1 . . . A 91 THR CA . 18364 1 901 . 1 1 91 91 THR CB C 13 68.702 0.160 . 1 . . . A 91 THR CB . 18364 1 902 . 1 1 91 91 THR CG2 C 13 19.509 0.160 . 1 . . . A 91 THR CG2 . 18364 1 903 . 1 1 91 91 THR N N 15 123.200 0.130 . 1 . . . A 91 THR N . 18364 1 904 . 1 1 92 92 VAL H H 1 9.162 0.006 . 1 . . . A 92 VAL H . 18364 1 905 . 1 1 92 92 VAL HA H 1 5.018 0.006 . 1 . . . A 92 VAL HA . 18364 1 906 . 1 1 92 92 VAL HB H 1 1.809 0.006 . 1 . . . A 92 VAL HB . 18364 1 907 . 1 1 92 92 VAL HG11 H 1 0.450 0.006 . 2 . . . A 92 VAL QG1 . 18364 1 908 . 1 1 92 92 VAL HG12 H 1 0.450 0.006 . 2 . . . A 92 VAL QG1 . 18364 1 909 . 1 1 92 92 VAL HG13 H 1 0.450 0.006 . 2 . . . A 92 VAL QG1 . 18364 1 910 . 1 1 92 92 VAL HG21 H 1 0.499 0.006 . 2 . . . A 92 VAL QG2 . 18364 1 911 . 1 1 92 92 VAL HG22 H 1 0.499 0.006 . 2 . . . A 92 VAL QG2 . 18364 1 912 . 1 1 92 92 VAL HG23 H 1 0.499 0.006 . 2 . . . A 92 VAL QG2 . 18364 1 913 . 1 1 92 92 VAL CA C 13 57.969 0.160 . 1 . . . A 92 VAL CA . 18364 1 914 . 1 1 92 92 VAL CB C 13 31.323 0.160 . 1 . . . A 92 VAL CB . 18364 1 915 . 1 1 92 92 VAL CG1 C 13 23.260 0.160 . 2 . . . A 92 VAL CG1 . 18364 1 916 . 1 1 92 92 VAL CG2 C 13 18.189 0.160 . 2 . . . A 92 VAL CG2 . 18364 1 917 . 1 1 92 92 VAL N N 15 127.071 0.130 . 1 . . . A 92 VAL N . 18364 1 918 . 1 1 93 93 ILE H H 1 9.313 0.006 . 1 . . . A 93 ILE H . 18364 1 919 . 1 1 93 93 ILE HA H 1 4.461 0.006 . 1 . . . A 93 ILE HA . 18364 1 920 . 1 1 93 93 ILE HB H 1 1.458 0.006 . 1 . . . A 93 ILE HB . 18364 1 921 . 1 1 93 93 ILE HG12 H 1 0.486 0.006 . 2 . . . A 93 ILE HG12 . 18364 1 922 . 1 1 93 93 ILE HG13 H 1 1.334 0.006 . 2 . . . A 93 ILE HG13 . 18364 1 923 . 1 1 93 93 ILE HG21 H 1 0.365 0.006 . 1 . . . A 93 ILE QG2 . 18364 1 924 . 1 1 93 93 ILE HG22 H 1 0.365 0.006 . 1 . . . A 93 ILE QG2 . 18364 1 925 . 1 1 93 93 ILE HG23 H 1 0.365 0.006 . 1 . . . A 93 ILE QG2 . 18364 1 926 . 1 1 93 93 ILE HD11 H 1 0.710 0.006 . 1 . . . A 93 ILE QD1 . 18364 1 927 . 1 1 93 93 ILE HD12 H 1 0.710 0.006 . 1 . . . A 93 ILE QD1 . 18364 1 928 . 1 1 93 93 ILE HD13 H 1 0.710 0.006 . 1 . . . A 93 ILE QD1 . 18364 1 929 . 1 1 93 93 ILE CA C 13 57.972 0.160 . 1 . . . A 93 ILE CA . 18364 1 930 . 1 1 93 93 ILE CB C 13 38.929 0.160 . 1 . . . A 93 ILE CB . 18364 1 931 . 1 1 93 93 ILE CG1 C 13 25.962 0.160 . 1 . . . A 93 ILE CG1 . 18364 1 932 . 1 1 93 93 ILE CG2 C 13 16.570 0.160 . 1 . . . A 93 ILE CG2 . 18364 1 933 . 1 1 93 93 ILE CD1 C 13 11.679 0.160 . 1 . . . A 93 ILE CD1 . 18364 1 934 . 1 1 93 93 ILE N N 15 127.095 0.130 . 1 . . . A 93 ILE N . 18364 1 935 . 1 1 94 94 GLY H H 1 8.577 0.006 . 1 . . . A 94 GLY H . 18364 1 936 . 1 1 94 94 GLY HA2 H 1 5.321 0.006 . 2 . . . A 94 GLY HA2 . 18364 1 937 . 1 1 94 94 GLY HA3 H 1 2.884 0.006 . 2 . . . A 94 GLY HA3 . 18364 1 938 . 1 1 94 94 GLY CA C 13 41.781 0.160 . 1 . . . A 94 GLY CA . 18364 1 939 . 1 1 94 94 GLY N N 15 111.893 0.130 . 1 . . . A 94 GLY N . 18364 1 940 . 1 1 95 95 TYR H H 1 9.640 0.006 . 1 . . . A 95 TYR H . 18364 1 941 . 1 1 95 95 TYR HA H 1 5.399 0.006 . 1 . . . A 95 TYR HA . 18364 1 942 . 1 1 95 95 TYR HB2 H 1 2.773 0.006 . 2 . . . A 95 TYR HB2 . 18364 1 943 . 1 1 95 95 TYR HB3 H 1 2.534 0.006 . 2 . . . A 95 TYR HB3 . 18364 1 944 . 1 1 95 95 TYR HD1 H 1 6.563 0.006 . 3 . . . A 95 TYR QD . 18364 1 945 . 1 1 95 95 TYR HD2 H 1 6.563 0.006 . 3 . . . A 95 TYR QD . 18364 1 946 . 1 1 95 95 TYR HE1 H 1 6.563 0.006 . 3 . . . A 95 TYR QE . 18364 1 947 . 1 1 95 95 TYR HE2 H 1 6.563 0.006 . 3 . . . A 95 TYR QE . 18364 1 948 . 1 1 95 95 TYR CA C 13 54.052 0.160 . 1 . . . A 95 TYR CA . 18364 1 949 . 1 1 95 95 TYR CB C 13 41.285 0.160 . 1 . . . A 95 TYR CB . 18364 1 950 . 1 1 95 95 TYR CD1 C 13 130.007 0.160 . 3 . . . A 95 TYR CD1 . 18364 1 951 . 1 1 95 95 TYR CD2 C 13 130.010 0.160 . 3 . . . A 95 TYR CD2 . 18364 1 952 . 1 1 95 95 TYR CE1 C 13 115.663 0.160 . 3 . . . A 95 TYR CE1 . 18364 1 953 . 1 1 95 95 TYR CE2 C 13 115.660 0.160 . 3 . . . A 95 TYR CE2 . 18364 1 954 . 1 1 95 95 TYR N N 15 123.099 0.130 . 1 . . . A 95 TYR N . 18364 1 955 . 1 1 96 96 ILE H H 1 8.270 0.006 . 1 . . . A 96 ILE H . 18364 1 956 . 1 1 96 96 ILE HA H 1 4.208 0.006 . 1 . . . A 96 ILE HA . 18364 1 957 . 1 1 96 96 ILE HB H 1 1.261 0.006 . 1 . . . A 96 ILE HB . 18364 1 958 . 1 1 96 96 ILE HG12 H 1 1.254 0.006 . 2 . . . A 96 ILE HG12 . 18364 1 959 . 1 1 96 96 ILE HG13 H 1 -0.239 0.006 . 2 . . . A 96 ILE HG13 . 18364 1 960 . 1 1 96 96 ILE HG21 H 1 0.278 0.006 . 1 . . . A 96 ILE QG2 . 18364 1 961 . 1 1 96 96 ILE HG22 H 1 0.278 0.006 . 1 . . . A 96 ILE QG2 . 18364 1 962 . 1 1 96 96 ILE HG23 H 1 0.278 0.006 . 1 . . . A 96 ILE QG2 . 18364 1 963 . 1 1 96 96 ILE HD11 H 1 0.795 0.006 . 1 . . . A 96 ILE QD1 . 18364 1 964 . 1 1 96 96 ILE HD12 H 1 0.795 0.006 . 1 . . . A 96 ILE QD1 . 18364 1 965 . 1 1 96 96 ILE HD13 H 1 0.795 0.006 . 1 . . . A 96 ILE QD1 . 18364 1 966 . 1 1 96 96 ILE CA C 13 58.977 0.160 . 1 . . . A 96 ILE CA . 18364 1 967 . 1 1 96 96 ILE CB C 13 37.245 0.160 . 1 . . . A 96 ILE CB . 18364 1 968 . 1 1 96 96 ILE CG1 C 13 23.753 0.160 . 1 . . . A 96 ILE CG1 . 18364 1 969 . 1 1 96 96 ILE CG2 C 13 14.161 0.160 . 1 . . . A 96 ILE CG2 . 18364 1 970 . 1 1 96 96 ILE CD1 C 13 12.185 0.160 . 1 . . . A 96 ILE CD1 . 18364 1 971 . 1 1 96 96 ILE N N 15 116.705 0.130 . 1 . . . A 96 ILE N . 18364 1 972 . 1 1 97 97 ASP H H 1 9.849 0.006 . 1 . . . A 97 ASP H . 18364 1 973 . 1 1 97 97 ASP HA H 1 4.165 0.006 . 1 . . . A 97 ASP HA . 18364 1 974 . 1 1 97 97 ASP HB2 H 1 2.776 0.006 . 2 . . . A 97 ASP QB . 18364 1 975 . 1 1 97 97 ASP HB3 H 1 2.776 0.006 . 2 . . . A 97 ASP QB . 18364 1 976 . 1 1 97 97 ASP CA C 13 53.736 0.160 . 1 . . . A 97 ASP CA . 18364 1 977 . 1 1 97 97 ASP CB C 13 36.870 0.160 . 1 . . . A 97 ASP CB . 18364 1 978 . 1 1 97 97 ASP N N 15 130.442 0.130 . 1 . . . A 97 ASP N . 18364 1 979 . 1 1 98 98 ASP H H 1 8.355 0.006 . 1 . . . A 98 ASP H . 18364 1 980 . 1 1 98 98 ASP HA H 1 4.694 0.006 . 1 . . . A 98 ASP HA . 18364 1 981 . 1 1 98 98 ASP HB2 H 1 2.904 0.006 . 2 . . . A 98 ASP HB2 . 18364 1 982 . 1 1 98 98 ASP HB3 H 1 2.735 0.006 . 2 . . . A 98 ASP HB3 . 18364 1 983 . 1 1 98 98 ASP CB C 13 36.266 0.160 . 1 . . . A 98 ASP CB . 18364 1 984 . 1 1 98 98 ASP N N 15 114.957 0.130 . 1 . . . A 98 ASP N . 18364 1 985 . 1 1 99 99 LYS H H 1 8.049 0.006 . 1 . . . A 99 LYS H . 18364 1 986 . 1 1 99 99 LYS HA H 1 4.590 0.006 . 1 . . . A 99 LYS HA . 18364 1 987 . 1 1 99 99 LYS HB2 H 1 1.782 0.006 . 2 . . . A 99 LYS HB2 . 18364 1 988 . 1 1 99 99 LYS HB3 H 1 1.835 0.006 . 2 . . . A 99 LYS HB3 . 18364 1 989 . 1 1 99 99 LYS HG2 H 1 1.406 0.006 . 2 . . . A 99 LYS HG2 . 18364 1 990 . 1 1 99 99 LYS HG3 H 1 1.293 0.006 . 2 . . . A 99 LYS HG3 . 18364 1 991 . 1 1 99 99 LYS HD2 H 1 1.631 0.006 . 2 . . . A 99 LYS QD . 18364 1 992 . 1 1 99 99 LYS HD3 H 1 1.631 0.006 . 2 . . . A 99 LYS QD . 18364 1 993 . 1 1 99 99 LYS HE2 H 1 2.955 0.006 . 2 . . . A 99 LYS QE . 18364 1 994 . 1 1 99 99 LYS HE3 H 1 2.955 0.006 . 2 . . . A 99 LYS QE . 18364 1 995 . 1 1 99 99 LYS CA C 13 52.354 0.160 . 1 . . . A 99 LYS CA . 18364 1 996 . 1 1 99 99 LYS CB C 13 30.958 0.160 . 1 . . . A 99 LYS CB . 18364 1 997 . 1 1 99 99 LYS CG C 13 22.181 0.160 . 1 . . . A 99 LYS CG . 18364 1 998 . 1 1 99 99 LYS CD C 13 26.576 0.160 . 1 . . . A 99 LYS CD . 18364 1 999 . 1 1 99 99 LYS CE C 13 39.756 0.160 . 1 . . . A 99 LYS CE . 18364 1 1000 . 1 1 99 99 LYS N N 15 121.680 0.130 . 1 . . . A 99 LYS N . 18364 1 1001 . 1 1 100 100 GLU H H 1 8.839 0.006 . 1 . . . A 100 GLU H . 18364 1 1002 . 1 1 100 100 GLU HA H 1 3.804 0.006 . 1 . . . A 100 GLU HA . 18364 1 1003 . 1 1 100 100 GLU HB2 H 1 1.649 0.006 . 2 . . . A 100 GLU HB2 . 18364 1 1004 . 1 1 100 100 GLU HB3 H 1 1.772 0.006 . 2 . . . A 100 GLU HB3 . 18364 1 1005 . 1 1 100 100 GLU HG2 H 1 1.864 0.006 . 2 . . . A 100 GLU HG2 . 18364 1 1006 . 1 1 100 100 GLU HG3 H 1 1.656 0.006 . 2 . . . A 100 GLU HG3 . 18364 1 1007 . 1 1 100 100 GLU CA C 13 54.562 0.160 . 1 . . . A 100 GLU CA . 18364 1 1008 . 1 1 100 100 GLU CB C 13 26.808 0.160 . 1 . . . A 100 GLU CB . 18364 1 1009 . 1 1 100 100 GLU CG C 13 33.360 0.160 . 1 . . . A 100 GLU CG . 18364 1 1010 . 1 1 100 100 GLU N N 15 127.574 0.130 . 1 . . . A 100 GLU N . 18364 1 1011 . 1 1 101 101 VAL H H 1 8.997 0.006 . 1 . . . A 101 VAL H . 18364 1 1012 . 1 1 101 101 VAL HA H 1 4.534 0.006 . 1 . . . A 101 VAL HA . 18364 1 1013 . 1 1 101 101 VAL HB H 1 2.246 0.006 . 1 . . . A 101 VAL HB . 18364 1 1014 . 1 1 101 101 VAL HG11 H 1 0.680 0.006 . 2 . . . A 101 VAL QG1 . 18364 1 1015 . 1 1 101 101 VAL HG12 H 1 0.680 0.006 . 2 . . . A 101 VAL QG1 . 18364 1 1016 . 1 1 101 101 VAL HG13 H 1 0.680 0.006 . 2 . . . A 101 VAL QG1 . 18364 1 1017 . 1 1 101 101 VAL HG21 H 1 0.901 0.006 . 2 . . . A 101 VAL QG2 . 18364 1 1018 . 1 1 101 101 VAL HG22 H 1 0.901 0.006 . 2 . . . A 101 VAL QG2 . 18364 1 1019 . 1 1 101 101 VAL HG23 H 1 0.901 0.006 . 2 . . . A 101 VAL QG2 . 18364 1 1020 . 1 1 101 101 VAL CA C 13 58.379 0.160 . 1 . . . A 101 VAL CA . 18364 1 1021 . 1 1 101 101 VAL CB C 13 31.223 0.160 . 1 . . . A 101 VAL CB . 18364 1 1022 . 1 1 101 101 VAL CG1 C 13 16.145 0.160 . 2 . . . A 101 VAL CG1 . 18364 1 1023 . 1 1 101 101 VAL CG2 C 13 18.640 0.160 . 2 . . . A 101 VAL CG2 . 18364 1 1024 . 1 1 101 101 VAL N N 15 120.606 0.130 . 1 . . . A 101 VAL N . 18364 1 1025 . 1 1 102 102 ASN H H 1 7.598 0.006 . 1 . . . A 102 ASN H . 18364 1 1026 . 1 1 102 102 ASN HA H 1 4.782 0.006 . 1 . . . A 102 ASN HA . 18364 1 1027 . 1 1 102 102 ASN HB2 H 1 2.760 0.006 . 2 . . . A 102 ASN HB2 . 18364 1 1028 . 1 1 102 102 ASN HB3 H 1 2.362 0.006 . 2 . . . A 102 ASN HB3 . 18364 1 1029 . 1 1 102 102 ASN HD21 H 1 6.690 0.006 . 2 . . . A 102 ASN HD21 . 18364 1 1030 . 1 1 102 102 ASN HD22 H 1 7.564 0.006 . 2 . . . A 102 ASN HD22 . 18364 1 1031 . 1 1 102 102 ASN CA C 13 50.154 0.160 . 1 . . . A 102 ASN CA . 18364 1 1032 . 1 1 102 102 ASN CB C 13 38.848 0.160 . 1 . . . A 102 ASN CB . 18364 1 1033 . 1 1 102 102 ASN N N 15 118.568 0.130 . 1 . . . A 102 ASN N . 18364 1 1034 . 1 1 102 102 ASN ND2 N 15 110.650 0.130 . 1 . . . A 102 ASN ND2 . 18364 1 1035 . 1 1 103 103 ARG H H 1 8.155 0.006 . 1 . . . A 103 ARG H . 18364 1 1036 . 1 1 103 103 ARG HA H 1 5.051 0.006 . 1 . . . A 103 ARG HA . 18364 1 1037 . 1 1 103 103 ARG HB2 H 1 1.929 0.006 . 2 . . . A 103 ARG HB2 . 18364 1 1038 . 1 1 103 103 ARG HB3 H 1 1.531 0.006 . 2 . . . A 103 ARG HB3 . 18364 1 1039 . 1 1 103 103 ARG CA C 13 52.900 0.160 . 1 . . . A 103 ARG CA . 18364 1 1040 . 1 1 103 103 ARG CB C 13 31.710 0.160 . 1 . . . A 103 ARG CB . 18364 1 1041 . 1 1 103 103 ARG CG C 13 25.168 0.160 . 1 . . . A 103 ARG CG . 18364 1 1042 . 1 1 103 103 ARG N N 15 120.366 0.130 . 1 . . . A 103 ARG N . 18364 1 1043 . 1 1 104 104 LEU H H 1 9.271 0.006 . 1 . . . A 104 LEU H . 18364 1 1044 . 1 1 104 104 LEU HA H 1 4.553 0.006 . 1 . . . A 104 LEU HA . 18364 1 1045 . 1 1 104 104 LEU HB2 H 1 1.350 0.006 . 2 . . . A 104 LEU QB . 18364 1 1046 . 1 1 104 104 LEU HB3 H 1 1.350 0.006 . 2 . . . A 104 LEU QB . 18364 1 1047 . 1 1 104 104 LEU HG H 1 1.130 0.006 . 1 . . . A 104 LEU HG . 18364 1 1048 . 1 1 104 104 LEU HD11 H 1 0.858 0.006 . 2 . . . A 104 LEU QD1 . 18364 1 1049 . 1 1 104 104 LEU HD12 H 1 0.858 0.006 . 2 . . . A 104 LEU QD1 . 18364 1 1050 . 1 1 104 104 LEU HD13 H 1 0.858 0.006 . 2 . . . A 104 LEU QD1 . 18364 1 1051 . 1 1 104 104 LEU HD21 H 1 0.818 0.006 . 2 . . . A 104 LEU QD2 . 18364 1 1052 . 1 1 104 104 LEU HD22 H 1 0.818 0.006 . 2 . . . A 104 LEU QD2 . 18364 1 1053 . 1 1 104 104 LEU HD23 H 1 0.818 0.006 . 2 . . . A 104 LEU QD2 . 18364 1 1054 . 1 1 104 104 LEU CA C 13 51.272 0.160 . 1 . . . A 104 LEU CA . 18364 1 1055 . 1 1 104 104 LEU CB C 13 43.549 0.160 . 1 . . . A 104 LEU CB . 18364 1 1056 . 1 1 104 104 LEU CG C 13 24.966 0.160 . 1 . . . A 104 LEU CG . 18364 1 1057 . 1 1 104 104 LEU CD1 C 13 20.243 0.160 . 2 . . . A 104 LEU CD1 . 18364 1 1058 . 1 1 104 104 LEU CD2 C 13 22.029 0.160 . 2 . . . A 104 LEU CD2 . 18364 1 1059 . 1 1 104 104 LEU N N 15 128.859 0.130 . 1 . . . A 104 LEU N . 18364 1 1060 . 1 1 105 105 GLU H H 1 8.346 0.006 . 1 . . . A 105 GLU H . 18364 1 1061 . 1 1 105 105 GLU HA H 1 5.179 0.006 . 1 . . . A 105 GLU HA . 18364 1 1062 . 1 1 105 105 GLU HB2 H 1 1.779 0.006 . 2 . . . A 105 GLU HB2 . 18364 1 1063 . 1 1 105 105 GLU HB3 H 1 1.726 0.006 . 2 . . . A 105 GLU HB3 . 18364 1 1064 . 1 1 105 105 GLU HG2 H 1 2.132 0.006 . 2 . . . A 105 GLU HG2 . 18364 1 1065 . 1 1 105 105 GLU HG3 H 1 2.206 0.006 . 2 . . . A 105 GLU HG3 . 18364 1 1066 . 1 1 105 105 GLU CA C 13 51.966 0.160 . 1 . . . A 105 GLU CA . 18364 1 1067 . 1 1 105 105 GLU CB C 13 29.358 0.160 . 1 . . . A 105 GLU CB . 18364 1 1068 . 1 1 105 105 GLU CG C 13 32.843 0.160 . 1 . . . A 105 GLU CG . 18364 1 1069 . 1 1 105 105 GLU N N 15 125.663 0.130 . 1 . . . A 105 GLU N . 18364 1 1070 . 1 1 106 106 LYS H H 1 8.526 0.006 . 1 . . . A 106 LYS H . 18364 1 1071 . 1 1 106 106 LYS HA H 1 4.281 0.006 . 1 . . . A 106 LYS HA . 18364 1 1072 . 1 1 106 106 LYS HB2 H 1 1.149 0.006 . 2 . . . A 106 LYS HB2 . 18364 1 1073 . 1 1 106 106 LYS HB3 H 1 0.976 0.006 . 2 . . . A 106 LYS HB3 . 18364 1 1074 . 1 1 106 106 LYS HG2 H 1 0.958 0.006 . 2 . . . A 106 LYS QG . 18364 1 1075 . 1 1 106 106 LYS HG3 H 1 0.958 0.006 . 2 . . . A 106 LYS QG . 18364 1 1076 . 1 1 106 106 LYS HE2 H 1 2.771 0.006 . 2 . . . A 106 LYS QE . 18364 1 1077 . 1 1 106 106 LYS HE3 H 1 2.771 0.006 . 2 . . . A 106 LYS QE . 18364 1 1078 . 1 1 106 106 LYS CA C 13 51.118 0.160 . 1 . . . A 106 LYS CA . 18364 1 1079 . 1 1 106 106 LYS CB C 13 34.761 0.160 . 1 . . . A 106 LYS CB . 18364 1 1080 . 1 1 106 106 LYS CG C 13 21.719 0.160 . 1 . . . A 106 LYS CG . 18364 1 1081 . 1 1 106 106 LYS CD C 13 25.870 0.160 . 1 . . . A 106 LYS CD . 18364 1 1082 . 1 1 106 106 LYS CE C 13 39.745 0.160 . 1 . . . A 106 LYS CE . 18364 1 1083 . 1 1 106 106 LYS N N 15 123.659 0.130 . 1 . . . A 106 LYS N . 18364 1 1084 . 1 1 107 107 GLU H H 1 7.773 0.006 . 1 . . . A 107 GLU H . 18364 1 1085 . 1 1 107 107 GLU HA H 1 4.949 0.006 . 1 . . . A 107 GLU HA . 18364 1 1086 . 1 1 107 107 GLU HB2 H 1 1.770 0.006 . 2 . . . A 107 GLU HB2 . 18364 1 1087 . 1 1 107 107 GLU HB3 H 1 1.623 0.006 . 2 . . . A 107 GLU HB3 . 18364 1 1088 . 1 1 107 107 GLU HG2 H 1 1.912 0.006 . 2 . . . A 107 GLU QG . 18364 1 1089 . 1 1 107 107 GLU HG3 H 1 1.912 0.006 . 2 . . . A 107 GLU QG . 18364 1 1090 . 1 1 107 107 GLU CA C 13 51.404 0.160 . 1 . . . A 107 GLU CA . 18364 1 1091 . 1 1 107 107 GLU CB C 13 29.906 0.160 . 1 . . . A 107 GLU CB . 18364 1 1092 . 1 1 107 107 GLU CG C 13 33.695 0.160 . 1 . . . A 107 GLU CG . 18364 1 1093 . 1 1 107 107 GLU N N 15 121.917 0.130 . 1 . . . A 107 GLU N . 18364 1 1094 . 1 1 108 108 TYR H H 1 9.031 0.006 . 1 . . . A 108 TYR H . 18364 1 1095 . 1 1 108 108 TYR HA H 1 4.720 0.006 . 1 . . . A 108 TYR HA . 18364 1 1096 . 1 1 108 108 TYR HB2 H 1 2.802 0.006 . 2 . . . A 108 TYR HB2 . 18364 1 1097 . 1 1 108 108 TYR HB3 H 1 2.347 0.006 . 2 . . . A 108 TYR HB3 . 18364 1 1098 . 1 1 108 108 TYR HD1 H 1 6.735 0.006 . 3 . . . A 108 TYR QD . 18364 1 1099 . 1 1 108 108 TYR HD2 H 1 6.735 0.006 . 3 . . . A 108 TYR QD . 18364 1 1100 . 1 1 108 108 TYR HE1 H 1 6.326 0.006 . 3 . . . A 108 TYR QE . 18364 1 1101 . 1 1 108 108 TYR HE2 H 1 6.326 0.006 . 3 . . . A 108 TYR QE . 18364 1 1102 . 1 1 108 108 TYR CA C 13 54.188 0.160 . 1 . . . A 108 TYR CA . 18364 1 1103 . 1 1 108 108 TYR CB C 13 39.101 0.160 . 1 . . . A 108 TYR CB . 18364 1 1104 . 1 1 108 108 TYR CD1 C 13 129.950 0.160 . 3 . . . A 108 TYR CD1 . 18364 1 1105 . 1 1 108 108 TYR CD2 C 13 129.948 0.160 . 3 . . . A 108 TYR CD2 . 18364 1 1106 . 1 1 108 108 TYR CE1 C 13 114.860 0.160 . 3 . . . A 108 TYR CE1 . 18364 1 1107 . 1 1 108 108 TYR CE2 C 13 114.864 0.160 . 3 . . . A 108 TYR CE2 . 18364 1 1108 . 1 1 108 108 TYR N N 15 124.981 0.130 . 1 . . . A 108 TYR N . 18364 1 1109 . 1 1 109 109 ILE H H 1 8.475 0.006 . 1 . . . A 109 ILE H . 18364 1 1110 . 1 1 109 109 ILE HA H 1 5.471 0.006 . 1 . . . A 109 ILE HA . 18364 1 1111 . 1 1 109 109 ILE HB H 1 1.650 0.006 . 1 . . . A 109 ILE HB . 18364 1 1112 . 1 1 109 109 ILE HG12 H 1 0.977 0.006 . 2 . . . A 109 ILE HG12 . 18364 1 1113 . 1 1 109 109 ILE HG13 H 1 1.420 0.006 . 2 . . . A 109 ILE HG13 . 18364 1 1114 . 1 1 109 109 ILE HG21 H 1 0.850 0.006 . 1 . . . A 109 ILE QG2 . 18364 1 1115 . 1 1 109 109 ILE HG22 H 1 0.850 0.006 . 1 . . . A 109 ILE QG2 . 18364 1 1116 . 1 1 109 109 ILE HG23 H 1 0.850 0.006 . 1 . . . A 109 ILE QG2 . 18364 1 1117 . 1 1 109 109 ILE HD11 H 1 0.788 0.006 . 1 . . . A 109 ILE QD1 . 18364 1 1118 . 1 1 109 109 ILE HD12 H 1 0.788 0.006 . 1 . . . A 109 ILE QD1 . 18364 1 1119 . 1 1 109 109 ILE HD13 H 1 0.788 0.006 . 1 . . . A 109 ILE QD1 . 18364 1 1120 . 1 1 109 109 ILE CA C 13 56.592 0.160 . 1 . . . A 109 ILE CA . 18364 1 1121 . 1 1 109 109 ILE CB C 13 38.728 0.160 . 1 . . . A 109 ILE CB . 18364 1 1122 . 1 1 109 109 ILE CG1 C 13 25.386 0.160 . 1 . . . A 109 ILE CG1 . 18364 1 1123 . 1 1 109 109 ILE CG2 C 13 14.379 0.160 . 1 . . . A 109 ILE CG2 . 18364 1 1124 . 1 1 109 109 ILE CD1 C 13 11.461 0.160 . 1 . . . A 109 ILE CD1 . 18364 1 1125 . 1 1 109 109 ILE N N 15 121.680 0.130 . 1 . . . A 109 ILE N . 18364 1 1126 . 1 1 110 110 THR H H 1 9.180 0.006 . 1 . . . A 110 THR H . 18364 1 1127 . 1 1 110 110 THR HA H 1 4.521 0.006 . 1 . . . A 110 THR HA . 18364 1 1128 . 1 1 110 110 THR HB H 1 4.630 0.006 . 1 . . . A 110 THR HB . 18364 1 1129 . 1 1 110 110 THR HG21 H 1 0.985 0.006 . 1 . . . A 110 THR QG2 . 18364 1 1130 . 1 1 110 110 THR HG22 H 1 0.985 0.006 . 1 . . . A 110 THR QG2 . 18364 1 1131 . 1 1 110 110 THR HG23 H 1 0.985 0.006 . 1 . . . A 110 THR QG2 . 18364 1 1132 . 1 1 110 110 THR CA C 13 59.337 0.160 . 1 . . . A 110 THR CA . 18364 1 1133 . 1 1 110 110 THR CB C 13 67.143 0.160 . 1 . . . A 110 THR CB . 18364 1 1134 . 1 1 110 110 THR CG2 C 13 21.797 0.160 . 1 . . . A 110 THR CG2 . 18364 1 1135 . 1 1 110 110 THR N N 15 117.537 0.130 . 1 . . . A 110 THR N . 18364 1 1136 . 1 1 111 111 ASP H H 1 9.342 0.006 . 1 . . . A 111 ASP H . 18364 1 1137 . 1 1 111 111 ASP HA H 1 4.721 0.006 . 1 . . . A 111 ASP HA . 18364 1 1138 . 1 1 111 111 ASP HB2 H 1 3.067 0.006 . 2 . . . A 111 ASP HB2 . 18364 1 1139 . 1 1 111 111 ASP HB3 H 1 2.551 0.006 . 2 . . . A 111 ASP HB3 . 18364 1 1140 . 1 1 111 111 ASP CA C 13 50.135 0.160 . 1 . . . A 111 ASP CA . 18364 1 1141 . 1 1 111 111 ASP CB C 13 39.613 0.160 . 1 . . . A 111 ASP CB . 18364 1 1142 . 1 1 111 111 ASP N N 15 122.428 0.130 . 1 . . . A 111 ASP N . 18364 1 1143 . 1 1 112 112 GLY H H 1 8.333 0.006 . 1 . . . A 112 GLY H . 18364 1 1144 . 1 1 112 112 GLY HA2 H 1 3.652 0.006 . 2 . . . A 112 GLY HA2 . 18364 1 1145 . 1 1 112 112 GLY HA3 H 1 4.421 0.006 . 2 . . . A 112 GLY HA3 . 18364 1 1146 . 1 1 112 112 GLY CA C 13 43.084 0.160 . 1 . . . A 112 GLY CA . 18364 1 1147 . 1 1 112 112 GLY N N 15 110.714 0.130 . 1 . . . A 112 GLY N . 18364 1 1148 . 1 1 113 113 ASN H H 1 8.210 0.006 . 1 . . . A 113 ASN H . 18364 1 1149 . 1 1 113 113 ASN HA H 1 4.926 0.006 . 1 . . . A 113 ASN HA . 18364 1 1150 . 1 1 113 113 ASN HB2 H 1 2.807 0.006 . 2 . . . A 113 ASN HB2 . 18364 1 1151 . 1 1 113 113 ASN HB3 H 1 2.905 0.006 . 2 . . . A 113 ASN HB3 . 18364 1 1152 . 1 1 113 113 ASN HD21 H 1 7.551 0.006 . 2 . . . A 113 ASN HD21 . 18364 1 1153 . 1 1 113 113 ASN HD22 H 1 6.864 0.006 . 2 . . . A 113 ASN HD22 . 18364 1 1154 . 1 1 113 113 ASN CA C 13 49.373 0.160 . 1 . . . A 113 ASN CA . 18364 1 1155 . 1 1 113 113 ASN CB C 13 37.377 0.160 . 1 . . . A 113 ASN CB . 18364 1 1156 . 1 1 113 113 ASN N N 15 119.462 0.130 . 1 . . . A 113 ASN N . 18364 1 1157 . 1 1 113 113 ASN ND2 N 15 115.479 0.130 . 1 . . . A 113 ASN ND2 . 18364 1 1158 . 1 1 114 114 THR H H 1 8.436 0.006 . 1 . . . A 114 THR H . 18364 1 1159 . 1 1 114 114 THR HA H 1 4.136 0.006 . 1 . . . A 114 THR HA . 18364 1 1160 . 1 1 114 114 THR HB H 1 3.978 0.006 . 1 . . . A 114 THR HB . 18364 1 1161 . 1 1 114 114 THR HG21 H 1 1.092 0.006 . 1 . . . A 114 THR QG2 . 18364 1 1162 . 1 1 114 114 THR HG22 H 1 1.092 0.006 . 1 . . . A 114 THR QG2 . 18364 1 1163 . 1 1 114 114 THR HG23 H 1 1.092 0.006 . 1 . . . A 114 THR QG2 . 18364 1 1164 . 1 1 114 114 THR CA C 13 62.066 0.160 . 1 . . . A 114 THR CA . 18364 1 1165 . 1 1 114 114 THR CB C 13 66.489 0.160 . 1 . . . A 114 THR CB . 18364 1 1166 . 1 1 114 114 THR CG2 C 13 19.405 0.160 . 1 . . . A 114 THR CG2 . 18364 1 1167 . 1 1 114 114 THR N N 15 117.962 0.130 . 1 . . . A 114 THR N . 18364 1 1168 . 1 1 115 115 LEU H H 1 8.789 0.006 . 1 . . . A 115 LEU H . 18364 1 1169 . 1 1 115 115 LEU HA H 1 4.607 0.006 . 1 . . . A 115 LEU HA . 18364 1 1170 . 1 1 115 115 LEU HB2 H 1 1.588 0.006 . 2 . . . A 115 LEU HB2 . 18364 1 1171 . 1 1 115 115 LEU HB3 H 1 1.808 0.006 . 2 . . . A 115 LEU HB3 . 18364 1 1172 . 1 1 115 115 LEU HD11 H 1 0.663 0.006 . 2 . . . A 115 LEU QD1 . 18364 1 1173 . 1 1 115 115 LEU HD12 H 1 0.663 0.006 . 2 . . . A 115 LEU QD1 . 18364 1 1174 . 1 1 115 115 LEU HD13 H 1 0.663 0.006 . 2 . . . A 115 LEU QD1 . 18364 1 1175 . 1 1 115 115 LEU HD21 H 1 0.996 0.006 . 2 . . . A 115 LEU QD2 . 18364 1 1176 . 1 1 115 115 LEU HD22 H 1 0.996 0.006 . 2 . . . A 115 LEU QD2 . 18364 1 1177 . 1 1 115 115 LEU HD23 H 1 0.996 0.006 . 2 . . . A 115 LEU QD2 . 18364 1 1178 . 1 1 115 115 LEU CA C 13 52.335 0.160 . 1 . . . A 115 LEU CA . 18364 1 1179 . 1 1 115 115 LEU CB C 13 41.546 0.160 . 1 . . . A 115 LEU CB . 18364 1 1180 . 1 1 115 115 LEU CD1 C 13 23.670 0.160 . 2 . . . A 115 LEU CD1 . 18364 1 1181 . 1 1 115 115 LEU CD2 C 13 24.265 0.160 . 2 . . . A 115 LEU CD2 . 18364 1 1182 . 1 1 115 115 LEU N N 15 132.998 0.130 . 1 . . . A 115 LEU N . 18364 1 1183 . 1 1 116 116 ILE H H 1 8.637 0.006 . 1 . . . A 116 ILE H . 18364 1 1184 . 1 1 116 116 ILE HA H 1 4.784 0.006 . 1 . . . A 116 ILE HA . 18364 1 1185 . 1 1 116 116 ILE HB H 1 1.729 0.006 . 1 . . . A 116 ILE HB . 18364 1 1186 . 1 1 116 116 ILE HG12 H 1 1.023 0.006 . 2 . . . A 116 ILE HG12 . 18364 1 1187 . 1 1 116 116 ILE HG13 H 1 1.280 0.006 . 2 . . . A 116 ILE HG13 . 18364 1 1188 . 1 1 116 116 ILE HG21 H 1 0.753 0.006 . 1 . . . A 116 ILE QG2 . 18364 1 1189 . 1 1 116 116 ILE HG22 H 1 0.753 0.006 . 1 . . . A 116 ILE QG2 . 18364 1 1190 . 1 1 116 116 ILE HG23 H 1 0.753 0.006 . 1 . . . A 116 ILE QG2 . 18364 1 1191 . 1 1 116 116 ILE HD11 H 1 0.744 0.006 . 1 . . . A 116 ILE QD1 . 18364 1 1192 . 1 1 116 116 ILE HD12 H 1 0.744 0.006 . 1 . . . A 116 ILE QD1 . 18364 1 1193 . 1 1 116 116 ILE HD13 H 1 0.744 0.006 . 1 . . . A 116 ILE QD1 . 18364 1 1194 . 1 1 116 116 ILE CA C 13 58.270 0.160 . 1 . . . A 116 ILE CA . 18364 1 1195 . 1 1 116 116 ILE CB C 13 37.909 0.160 . 1 . . . A 116 ILE CB . 18364 1 1196 . 1 1 116 116 ILE CG1 C 13 25.571 0.160 . 1 . . . A 116 ILE CG1 . 18364 1 1197 . 1 1 116 116 ILE CG2 C 13 14.515 0.160 . 1 . . . A 116 ILE CG2 . 18364 1 1198 . 1 1 116 116 ILE CD1 C 13 11.140 0.160 . 1 . . . A 116 ILE CD1 . 18364 1 1199 . 1 1 116 116 ILE N N 15 126.586 0.130 . 1 . . . A 116 ILE N . 18364 1 1200 . 1 1 117 117 GLU H H 1 8.933 0.006 . 1 . . . A 117 GLU H . 18364 1 1201 . 1 1 117 117 GLU HA H 1 4.830 0.006 . 1 . . . A 117 GLU HA . 18364 1 1202 . 1 1 117 117 GLU HB2 H 1 1.424 0.006 . 2 . . . A 117 GLU HB2 . 18364 1 1203 . 1 1 117 117 GLU HB3 H 1 2.303 0.006 . 2 . . . A 117 GLU HB3 . 18364 1 1204 . 1 1 117 117 GLU HG2 H 1 2.360 0.006 . 2 . . . A 117 GLU HG2 . 18364 1 1205 . 1 1 117 117 GLU HG3 H 1 2.232 0.006 . 2 . . . A 117 GLU HG3 . 18364 1 1206 . 1 1 117 117 GLU CA C 13 51.847 0.160 . 1 . . . A 117 GLU CA . 18364 1 1207 . 1 1 117 117 GLU CB C 13 32.299 0.160 . 1 . . . A 117 GLU CB . 18364 1 1208 . 1 1 117 117 GLU CG C 13 33.647 0.160 . 1 . . . A 117 GLU CG . 18364 1 1209 . 1 1 117 117 GLU N N 15 127.084 0.130 . 1 . . . A 117 GLU N . 18364 1 1210 . 1 1 118 118 THR H H 1 8.664 0.006 . 1 . . . A 118 THR H . 18364 1 1211 . 1 1 118 118 THR HA H 1 5.190 0.006 . 1 . . . A 118 THR HA . 18364 1 1212 . 1 1 118 118 THR HB H 1 4.256 0.006 . 1 . . . A 118 THR HB . 18364 1 1213 . 1 1 118 118 THR HG21 H 1 1.035 0.006 . 1 . . . A 118 THR QG2 . 18364 1 1214 . 1 1 118 118 THR HG22 H 1 1.035 0.006 . 1 . . . A 118 THR QG2 . 18364 1 1215 . 1 1 118 118 THR HG23 H 1 1.035 0.006 . 1 . . . A 118 THR QG2 . 18364 1 1216 . 1 1 118 118 THR CA C 13 57.036 0.160 . 1 . . . A 118 THR CA . 18364 1 1217 . 1 1 118 118 THR CB C 13 69.888 0.160 . 1 . . . A 118 THR CB . 18364 1 1218 . 1 1 118 118 THR CG2 C 13 19.044 0.160 . 1 . . . A 118 THR CG2 . 18364 1 1219 . 1 1 118 118 THR N N 15 110.826 0.130 . 1 . . . A 118 THR N . 18364 1 1220 . 1 1 119 119 PHE H H 1 8.087 0.006 . 1 . . . A 119 PHE H . 18364 1 1221 . 1 1 119 119 PHE HA H 1 4.999 0.006 . 1 . . . A 119 PHE HA . 18364 1 1222 . 1 1 119 119 PHE HB2 H 1 2.956 0.006 . 2 . . . A 119 PHE QB . 18364 1 1223 . 1 1 119 119 PHE HB3 H 1 2.956 0.006 . 2 . . . A 119 PHE QB . 18364 1 1224 . 1 1 119 119 PHE HD1 H 1 6.744 0.006 . 3 . . . A 119 PHE QD . 18364 1 1225 . 1 1 119 119 PHE HD2 H 1 6.744 0.006 . 3 . . . A 119 PHE QD . 18364 1 1226 . 1 1 119 119 PHE HE1 H 1 6.831 0.006 . 3 . . . A 119 PHE QE . 18364 1 1227 . 1 1 119 119 PHE HE2 H 1 6.831 0.006 . 3 . . . A 119 PHE QE . 18364 1 1228 . 1 1 119 119 PHE HZ H 1 6.622 0.006 . 1 . . . A 119 PHE HZ . 18364 1 1229 . 1 1 119 119 PHE CA C 13 53.804 0.160 . 1 . . . A 119 PHE CA . 18364 1 1230 . 1 1 119 119 PHE CB C 13 39.787 0.160 . 1 . . . A 119 PHE CB . 18364 1 1231 . 1 1 119 119 PHE CD1 C 13 129.750 0.160 . 3 . . . A 119 PHE CD1 . 18364 1 1232 . 1 1 119 119 PHE CD2 C 13 129.753 0.160 . 3 . . . A 119 PHE CD2 . 18364 1 1233 . 1 1 119 119 PHE CE1 C 13 127.492 0.160 . 3 . . . A 119 PHE CE1 . 18364 1 1234 . 1 1 119 119 PHE CE2 C 13 127.494 0.160 . 3 . . . A 119 PHE CE2 . 18364 1 1235 . 1 1 119 119 PHE CZ C 13 125.545 0.160 . 1 . . . A 119 PHE CZ . 18364 1 1236 . 1 1 119 119 PHE N N 15 115.915 0.130 . 1 . . . A 119 PHE N . 18364 1 1237 . 1 1 120 120 SER H H 1 8.627 0.006 . 1 . . . A 120 SER H . 18364 1 1238 . 1 1 120 120 SER HA H 1 5.383 0.006 . 1 . . . A 120 SER HA . 18364 1 1239 . 1 1 120 120 SER HB2 H 1 3.724 0.006 . 2 . . . A 120 SER QB . 18364 1 1240 . 1 1 120 120 SER HB3 H 1 3.724 0.006 . 2 . . . A 120 SER QB . 18364 1 1241 . 1 1 120 120 SER CA C 13 55.192 0.160 . 1 . . . A 120 SER CA . 18364 1 1242 . 1 1 120 120 SER CB C 13 62.113 0.160 . 1 . . . A 120 SER CB . 18364 1 1243 . 1 1 120 120 SER N N 15 114.953 0.130 . 1 . . . A 120 SER N . 18364 1 1244 . 1 1 121 121 VAL H H 1 8.866 0.006 . 1 . . . A 121 VAL H . 18364 1 1245 . 1 1 121 121 VAL HA H 1 4.349 0.006 . 1 . . . A 121 VAL HA . 18364 1 1246 . 1 1 121 121 VAL HB H 1 1.788 0.006 . 1 . . . A 121 VAL HB . 18364 1 1247 . 1 1 121 121 VAL HG11 H 1 0.857 0.006 . 2 . . . A 121 VAL QG1 . 18364 1 1248 . 1 1 121 121 VAL HG12 H 1 0.857 0.006 . 2 . . . A 121 VAL QG1 . 18364 1 1249 . 1 1 121 121 VAL HG13 H 1 0.857 0.006 . 2 . . . A 121 VAL QG1 . 18364 1 1250 . 1 1 121 121 VAL HG21 H 1 0.667 0.006 . 2 . . . A 121 VAL QG2 . 18364 1 1251 . 1 1 121 121 VAL HG22 H 1 0.667 0.006 . 2 . . . A 121 VAL QG2 . 18364 1 1252 . 1 1 121 121 VAL HG23 H 1 0.667 0.006 . 2 . . . A 121 VAL QG2 . 18364 1 1253 . 1 1 121 121 VAL CA C 13 59.005 0.160 . 1 . . . A 121 VAL CA . 18364 1 1254 . 1 1 121 121 VAL CB C 13 34.127 0.160 . 1 . . . A 121 VAL CB . 18364 1 1255 . 1 1 121 121 VAL CG1 C 13 20.188 0.160 . 2 . . . A 121 VAL CG1 . 18364 1 1256 . 1 1 121 121 VAL CG2 C 13 17.776 0.160 . 2 . . . A 121 VAL CG2 . 18364 1 1257 . 1 1 121 121 VAL N N 15 124.122 0.130 . 1 . . . A 121 VAL N . 18364 1 1258 . 1 1 122 122 SER H H 1 8.334 0.006 . 1 . . . A 122 SER H . 18364 1 1259 . 1 1 122 122 SER HA H 1 5.598 0.006 . 1 . . . A 122 SER HA . 18364 1 1260 . 1 1 122 122 SER HB2 H 1 3.782 0.006 . 2 . . . A 122 SER HB2 . 18364 1 1261 . 1 1 122 122 SER HB3 H 1 3.832 0.006 . 2 . . . A 122 SER HB3 . 18364 1 1262 . 1 1 122 122 SER CA C 13 53.065 0.160 . 1 . . . A 122 SER CA . 18364 1 1263 . 1 1 122 122 SER CB C 13 63.442 0.160 . 1 . . . A 122 SER CB . 18364 1 1264 . 1 1 122 122 SER N N 15 119.703 0.130 . 1 . . . A 122 SER N . 18364 1 1265 . 1 1 123 123 THR H H 1 8.898 0.006 . 1 . . . A 123 THR H . 18364 1 1266 . 1 1 123 123 THR HA H 1 4.093 0.006 . 1 . . . A 123 THR HA . 18364 1 1267 . 1 1 123 123 THR HB H 1 4.480 0.006 . 1 . . . A 123 THR HB . 18364 1 1268 . 1 1 123 123 THR HG21 H 1 1.124 0.006 . 1 . . . A 123 THR QG2 . 18364 1 1269 . 1 1 123 123 THR HG22 H 1 1.124 0.006 . 1 . . . A 123 THR QG2 . 18364 1 1270 . 1 1 123 123 THR HG23 H 1 1.124 0.006 . 1 . . . A 123 THR QG2 . 18364 1 1271 . 1 1 123 123 THR CA C 13 60.143 0.160 . 1 . . . A 123 THR CA . 18364 1 1272 . 1 1 123 123 THR CB C 13 64.437 0.160 . 1 . . . A 123 THR CB . 18364 1 1273 . 1 1 123 123 THR CG2 C 13 21.636 0.160 . 1 . . . A 123 THR CG2 . 18364 1 1274 . 1 1 123 123 THR N N 15 113.276 0.130 . 1 . . . A 123 THR N . 18364 1 1275 . 1 1 124 124 LYS H H 1 7.569 0.006 . 1 . . . A 124 LYS H . 18364 1 1276 . 1 1 124 124 LYS HA H 1 4.324 0.006 . 1 . . . A 124 LYS HA . 18364 1 1277 . 1 1 124 124 LYS HB2 H 1 1.574 0.006 . 2 . . . A 124 LYS HB2 . 18364 1 1278 . 1 1 124 124 LYS HB3 H 1 1.690 0.006 . 2 . . . A 124 LYS HB3 . 18364 1 1279 . 1 1 124 124 LYS HG2 H 1 1.276 0.006 . 2 . . . A 124 LYS QG . 18364 1 1280 . 1 1 124 124 LYS HG3 H 1 1.276 0.006 . 2 . . . A 124 LYS QG . 18364 1 1281 . 1 1 124 124 LYS HD2 H 1 1.409 0.006 . 2 . . . A 124 LYS QD . 18364 1 1282 . 1 1 124 124 LYS HD3 H 1 1.409 0.006 . 2 . . . A 124 LYS QD . 18364 1 1283 . 1 1 124 124 LYS HE2 H 1 2.608 0.006 . 2 . . . A 124 LYS HE2 . 18364 1 1284 . 1 1 124 124 LYS HE3 H 1 2.572 0.006 . 2 . . . A 124 LYS HE3 . 18364 1 1285 . 1 1 124 124 LYS CA C 13 53.486 0.160 . 1 . . . A 124 LYS CA . 18364 1 1286 . 1 1 124 124 LYS CB C 13 32.376 0.160 . 1 . . . A 124 LYS CB . 18364 1 1287 . 1 1 124 124 LYS CG C 13 22.320 0.160 . 1 . . . A 124 LYS CG . 18364 1 1288 . 1 1 124 124 LYS CD C 13 26.634 0.160 . 1 . . . A 124 LYS CD . 18364 1 1289 . 1 1 124 124 LYS CE C 13 39.561 0.160 . 1 . . . A 124 LYS CE . 18364 1 1290 . 1 1 124 124 LYS N N 15 119.191 0.130 . 1 . . . A 124 LYS N . 18364 1 1291 . 1 1 125 125 GLU H H 1 8.359 0.006 . 1 . . . A 125 GLU H . 18364 1 1292 . 1 1 125 125 GLU HA H 1 4.255 0.006 . 1 . . . A 125 GLU HA . 18364 1 1293 . 1 1 125 125 GLU HB3 H 1 1.858 0.006 . 2 . . . A 125 GLU HB3 . 18364 1 1294 . 1 1 125 125 GLU HG2 H 1 2.215 0.006 . 2 . . . A 125 GLU QG . 18364 1 1295 . 1 1 125 125 GLU HG3 H 1 2.215 0.006 . 2 . . . A 125 GLU QG . 18364 1 1296 . 1 1 125 125 GLU CA C 13 53.830 0.160 . 1 . . . A 125 GLU CA . 18364 1 1297 . 1 1 125 125 GLU CB C 13 27.674 0.160 . 1 . . . A 125 GLU CB . 18364 1 1298 . 1 1 125 125 GLU CG C 13 33.788 0.160 . 1 . . . A 125 GLU CG . 18364 1 1299 . 1 1 125 125 GLU N N 15 124.243 0.130 . 1 . . . A 125 GLU N . 18364 1 1300 . 1 1 126 126 ILE H H 1 7.674 0.006 . 1 . . . A 126 ILE H . 18364 1 1301 . 1 1 126 126 ILE HA H 1 3.958 0.006 . 1 . . . A 126 ILE HA . 18364 1 1302 . 1 1 126 126 ILE HB H 1 1.666 0.006 . 1 . . . A 126 ILE HB . 18364 1 1303 . 1 1 126 126 ILE HG12 H 1 0.920 0.006 . 2 . . . A 126 ILE HG12 . 18364 1 1304 . 1 1 126 126 ILE HG13 H 1 1.205 0.006 . 2 . . . A 126 ILE HG13 . 18364 1 1305 . 1 1 126 126 ILE HD11 H 1 0.640 0.006 . 1 . . . A 126 ILE QD1 . 18364 1 1306 . 1 1 126 126 ILE HD12 H 1 0.640 0.006 . 1 . . . A 126 ILE QD1 . 18364 1 1307 . 1 1 126 126 ILE HD13 H 1 0.640 0.006 . 1 . . . A 126 ILE QD1 . 18364 1 1308 . 1 1 126 126 ILE CA C 13 60.011 0.160 . 1 . . . A 126 ILE CA . 18364 1 1309 . 1 1 126 126 ILE CB C 13 37.158 0.160 . 1 . . . A 126 ILE CB . 18364 1 1310 . 1 1 126 126 ILE CG1 C 13 24.635 0.160 . 1 . . . A 126 ILE CG1 . 18364 1 1311 . 1 1 126 126 ILE CD1 C 13 10.979 0.160 . 1 . . . A 126 ILE CD1 . 18364 1 1312 . 1 1 126 126 ILE N N 15 126.888 0.130 . 1 . . . A 126 ILE N . 18364 1 stop_ save_