data_16930 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16930 _Entry.Title ; Chemical shift assignments of the Talin F2 domain (residues 196-309) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-14 _Entry.Accession_date 2010-05-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ben Goult . T. . 16930 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16930 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 16930 '15N chemical shifts' 113 16930 '1H chemical shifts' 113 16930 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 2 . . 2010-10-19 2010-05-14 update BMRB 'update entry citation' 16930 1 . . 2010-10-14 2010-05-14 original author 'original release' 16930 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15457 'domain, 1655-1822' 16930 BMRB 15458 'F0 domain (residues 1-85)' 16930 BMRB 15615 'F0F1 double domain' 16930 BMRB 15616 F1 16930 BMRB 15625 'Residues 1815-1973' 16930 BMRB 16932 'F2F3 domain (residues 196-405)' 16930 BMRB 16959 'F1F2 double domain (residues 86-303)' 16930 BMRB 17070 'domain C' 16930 PDB 2KBB 'structure entry' 16930 PDB 2KMA 'structure entry' 16930 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16930 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20947017 _Citation.Full_citation . _Citation.Title 'The structure of the talin/integrin complex at a lipid bilayer: an NMR and MD simulation study.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 18 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1280 _Citation.Page_last 1288 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antreas Kalli . C. . 16930 1 2 Kate Wegener . L. . 16930 1 3 Benjamin Goult . T. . 16930 1 4 Nicholas Anthis . J. . 16930 1 5 Iain Campbell . D. . 16930 1 6 Mark Sansom . S.P. . 16930 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID F2 16930 1 FERM 16930 1 'Focal adhesion' 16930 1 phospholipid 16930 1 talin 16930 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16930 _Assembly.ID 1 _Assembly.Name F2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13847 _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 F2 1 $F2 A . yes native no no . . . 16930 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F2 _Entity.Sf_category entity _Entity.Sf_framecode F2 _Entity.Entry_ID 16930 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIDPFTKFFYSDQNVDSRDP VQLNLLYVQARDDILNGSHP VSFDKACEFAGFQCQIQFGP HNEQKHKAGFLDLKDFLPKE YVKQKGERKIFQAHKNCGQM SEIEAKVRYVKLARSLKTYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 (190-195) represent a non-native affinity tag' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15792 . talin-F2F3 . . . . . 87.50 201 100.00 100.00 2.42e-70 . . . . 16930 1 2 no BMRB 16932 . F2F3 . . . . . 100.00 216 100.00 100.00 1.59e-82 . . . . 16930 1 3 no BMRB 16959 . F1F2 . . . . . 90.00 194 100.00 100.00 9.16e-73 . . . . 16930 1 4 no PDB 1Y19 . "Structural Basis For Phosphatidylinositol Phosphate Kinase Type I-Gamma Binding To Talin At Focal Adhesions" . . . . . 84.17 202 100.00 100.00 7.45e-67 . . . . 16930 1 5 no PDB 3IVF . "Crystal Structure Of The Talin Head Ferm Domain" . . . . . 95.00 371 100.00 100.00 5.42e-76 . . . . 16930 1 6 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 7 no DBJ BAC30516 . "unnamed protein product [Mus musculus]" . . . . . 95.00 300 100.00 100.00 4.90e-77 . . . . 16930 1 8 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 95.00 2564 100.00 100.00 4.25e-73 . . . . 16930 1 9 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 95.00 2541 100.00 100.00 4.22e-73 . . . . 16930 1 10 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 11 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 95.00 2541 100.00 100.00 4.22e-73 . . . . 16930 1 12 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 13 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 14 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 95.00 2540 100.00 100.00 3.37e-73 . . . . 16930 1 15 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 95.00 2541 100.00 100.00 2.81e-73 . . . . 16930 1 16 no GB AAI22767 . "TLN1 protein [Bos taurus]" . . . . . 95.00 407 100.00 100.00 5.91e-76 . . . . 16930 1 17 no PRF 1617167A . talin . . . . . 95.00 2541 100.00 100.00 4.22e-73 . . . . 16930 1 18 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 95.00 2541 100.00 100.00 3.72e-73 . . . . 16930 1 19 no REF NP_001192357 . "talin-1 [Bos taurus]" . . . . . 95.00 2541 100.00 100.00 2.81e-73 . . . . 16930 1 20 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 21 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 95.00 2541 100.00 100.00 4.22e-73 . . . . 16930 1 22 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 95.00 2428 100.00 100.00 2.54e-73 . . . . 16930 1 23 no SP P26039 . "RecName: Full=Talin-1" . . . . . 95.00 2541 100.00 100.00 4.22e-73 . . . . 16930 1 24 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 95.00 2541 100.00 100.00 3.37e-73 . . . . 16930 1 25 no TPG DAA26829 . "TPA: talin 1 [Bos taurus]" . . . . . 95.00 2541 100.00 100.00 2.92e-73 . . . . 16930 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 . 16930 1 2 . ILE . 16930 1 3 . ASP . 16930 1 4 . PRO . 16930 1 5 . PHE . 16930 1 6 . THR . 16930 1 7 . LYS . 16930 1 8 . PHE . 16930 1 9 . PHE . 16930 1 10 . TYR . 16930 1 11 . SER . 16930 1 12 . ASP . 16930 1 13 . GLN . 16930 1 14 . ASN . 16930 1 15 . VAL . 16930 1 16 . ASP . 16930 1 17 . SER . 16930 1 18 . ARG . 16930 1 19 . ASP . 16930 1 20 . PRO . 16930 1 21 . VAL . 16930 1 22 . GLN . 16930 1 23 . LEU . 16930 1 24 . ASN . 16930 1 25 . LEU . 16930 1 26 . LEU . 16930 1 27 . TYR . 16930 1 28 . VAL . 16930 1 29 . GLN . 16930 1 30 . ALA . 16930 1 31 . ARG . 16930 1 32 . ASP . 16930 1 33 . ASP . 16930 1 34 . ILE . 16930 1 35 . LEU . 16930 1 36 . ASN . 16930 1 37 . GLY . 16930 1 38 . SER . 16930 1 39 . HIS . 16930 1 40 . PRO . 16930 1 41 . VAL . 16930 1 42 . SER . 16930 1 43 . PHE . 16930 1 44 . ASP . 16930 1 45 . LYS . 16930 1 46 . ALA . 16930 1 47 . CYS . 16930 1 48 . GLU . 16930 1 49 . PHE . 16930 1 50 . ALA . 16930 1 51 . GLY . 16930 1 52 . PHE . 16930 1 53 . GLN . 16930 1 54 . CYS . 16930 1 55 . GLN . 16930 1 56 . ILE . 16930 1 57 . GLN . 16930 1 58 . PHE . 16930 1 59 . GLY . 16930 1 60 . PRO . 16930 1 61 . HIS . 16930 1 62 . ASN . 16930 1 63 . GLU . 16930 1 64 . GLN . 16930 1 65 . LYS . 16930 1 66 . HIS . 16930 1 67 . LYS . 16930 1 68 . ALA . 16930 1 69 . GLY . 16930 1 70 . PHE . 16930 1 71 . LEU . 16930 1 72 . ASP . 16930 1 73 . LEU . 16930 1 74 . LYS . 16930 1 75 . ASP . 16930 1 76 . PHE . 16930 1 77 . LEU . 16930 1 78 . PRO . 16930 1 79 . LYS . 16930 1 80 . GLU . 16930 1 81 . TYR . 16930 1 82 . VAL . 16930 1 83 . LYS . 16930 1 84 . GLN . 16930 1 85 . LYS . 16930 1 86 . GLY . 16930 1 87 . GLU . 16930 1 88 . ARG . 16930 1 89 . LYS . 16930 1 90 . ILE . 16930 1 91 . PHE . 16930 1 92 . GLN . 16930 1 93 . ALA . 16930 1 94 . HIS . 16930 1 95 . LYS . 16930 1 96 . ASN . 16930 1 97 . CYS . 16930 1 98 . GLY . 16930 1 99 . GLN . 16930 1 100 . MET . 16930 1 101 . SER . 16930 1 102 . GLU . 16930 1 103 . ILE . 16930 1 104 . GLU . 16930 1 105 . ALA . 16930 1 106 . LYS . 16930 1 107 . VAL . 16930 1 108 . ARG . 16930 1 109 . TYR . 16930 1 110 . VAL . 16930 1 111 . LYS . 16930 1 112 . LEU . 16930 1 113 . ALA . 16930 1 114 . ARG . 16930 1 115 . SER . 16930 1 116 . LEU . 16930 1 117 . LYS . 16930 1 118 . THR . 16930 1 119 . TYR . 16930 1 120 . GLY . 16930 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 16930 1 . ILE 2 2 16930 1 . ASP 3 3 16930 1 . PRO 4 4 16930 1 . PHE 5 5 16930 1 . THR 6 6 16930 1 . LYS 7 7 16930 1 . PHE 8 8 16930 1 . PHE 9 9 16930 1 . TYR 10 10 16930 1 . SER 11 11 16930 1 . ASP 12 12 16930 1 . GLN 13 13 16930 1 . ASN 14 14 16930 1 . VAL 15 15 16930 1 . ASP 16 16 16930 1 . SER 17 17 16930 1 . ARG 18 18 16930 1 . ASP 19 19 16930 1 . PRO 20 20 16930 1 . VAL 21 21 16930 1 . GLN 22 22 16930 1 . LEU 23 23 16930 1 . ASN 24 24 16930 1 . LEU 25 25 16930 1 . LEU 26 26 16930 1 . TYR 27 27 16930 1 . VAL 28 28 16930 1 . GLN 29 29 16930 1 . ALA 30 30 16930 1 . ARG 31 31 16930 1 . ASP 32 32 16930 1 . ASP 33 33 16930 1 . ILE 34 34 16930 1 . LEU 35 35 16930 1 . ASN 36 36 16930 1 . GLY 37 37 16930 1 . SER 38 38 16930 1 . HIS 39 39 16930 1 . PRO 40 40 16930 1 . VAL 41 41 16930 1 . SER 42 42 16930 1 . PHE 43 43 16930 1 . ASP 44 44 16930 1 . LYS 45 45 16930 1 . ALA 46 46 16930 1 . CYS 47 47 16930 1 . GLU 48 48 16930 1 . PHE 49 49 16930 1 . ALA 50 50 16930 1 . GLY 51 51 16930 1 . PHE 52 52 16930 1 . GLN 53 53 16930 1 . CYS 54 54 16930 1 . GLN 55 55 16930 1 . ILE 56 56 16930 1 . GLN 57 57 16930 1 . PHE 58 58 16930 1 . GLY 59 59 16930 1 . PRO 60 60 16930 1 . HIS 61 61 16930 1 . ASN 62 62 16930 1 . GLU 63 63 16930 1 . GLN 64 64 16930 1 . LYS 65 65 16930 1 . HIS 66 66 16930 1 . LYS 67 67 16930 1 . ALA 68 68 16930 1 . GLY 69 69 16930 1 . PHE 70 70 16930 1 . LEU 71 71 16930 1 . ASP 72 72 16930 1 . LEU 73 73 16930 1 . LYS 74 74 16930 1 . ASP 75 75 16930 1 . PHE 76 76 16930 1 . LEU 77 77 16930 1 . PRO 78 78 16930 1 . LYS 79 79 16930 1 . GLU 80 80 16930 1 . TYR 81 81 16930 1 . VAL 82 82 16930 1 . LYS 83 83 16930 1 . GLN 84 84 16930 1 . LYS 85 85 16930 1 . GLY 86 86 16930 1 . GLU 87 87 16930 1 . ARG 88 88 16930 1 . LYS 89 89 16930 1 . ILE 90 90 16930 1 . PHE 91 91 16930 1 . GLN 92 92 16930 1 . ALA 93 93 16930 1 . HIS 94 94 16930 1 . LYS 95 95 16930 1 . ASN 96 96 16930 1 . CYS 97 97 16930 1 . GLY 98 98 16930 1 . GLN 99 99 16930 1 . MET 100 100 16930 1 . SER 101 101 16930 1 . GLU 102 102 16930 1 . ILE 103 103 16930 1 . GLU 104 104 16930 1 . ALA 105 105 16930 1 . LYS 106 106 16930 1 . VAL 107 107 16930 1 . ARG 108 108 16930 1 . TYR 109 109 16930 1 . VAL 110 110 16930 1 . LYS 111 111 16930 1 . LEU 112 112 16930 1 . ALA 113 113 16930 1 . ARG 114 114 16930 1 . SER 115 115 16930 1 . LEU 116 116 16930 1 . LYS 117 117 16930 1 . THR 118 118 16930 1 . TYR 119 119 16930 1 . GLY 120 120 16930 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 16930 _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 $F2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16930 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 16930 _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 $F2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . PET-151 . . . . . . 16930 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16930 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F2 'natural abundance' . . 1 $F2 . . 1 . . mM 0.05 . . . 16930 1 2 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 16930 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 16930 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.05 . . . 16930 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16930 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16930 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 16930 _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' 50 0.5 M 16930 1 pH 6.5 0.1 pH 16930 1 pressure 1 . atm 16930 1 temperature 298 0.5 K 16930 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16930 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16930 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16930 1 processing 16930 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 16930 _Software.ID 2 _Software.Name Analysis _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16930 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16930 2 'data analysis' 16930 2 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 16930 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16930 _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 DRX . 600 . . . 16930 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 16930 _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 . . . . . . . . . . . . . . . . 16930 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16930 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16930 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16930 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16930 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 16930 _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 . . . . . . . . . 16930 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16930 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16930 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 16930 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 16930 1 2 '3D CBCA(CO)NH' . . . 16930 1 3 '3D HNCA' . . . 16930 1 5 '3D HNCACB' . . . 16930 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Analysis . . 16930 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 ILE C C 13 176.435 0.2 . 1 . . . . 2 ILE C . 16930 1 2 . 1 1 2 2 ILE CA C 13 60.834 0.2 . 1 . . . . 2 ILE CA . 16930 1 3 . 1 1 2 2 ILE CB C 13 39.021 0.2 . 1 . . . . 2 ILE CB . 16930 1 4 . 1 1 3 3 ASP H H 1 8.419 0.02 . 1 . . . . 3 ASP H . 16930 1 5 . 1 1 3 3 ASP CA C 13 51.979 0.2 . 1 . . . . 3 ASP CA . 16930 1 6 . 1 1 3 3 ASP CB C 13 41.388 0.2 . 1 . . . . 3 ASP CB . 16930 1 7 . 1 1 3 3 ASP N N 15 126.705 0.2 . 1 . . . . 3 ASP N . 16930 1 8 . 1 1 4 4 PRO C C 13 174.908 0.2 . 1 . . . . 4 PRO C . 16930 1 9 . 1 1 4 4 PRO CA C 13 63.728 0.2 . 1 . . . . 4 PRO CA . 16930 1 10 . 1 1 4 4 PRO CB C 13 31.904 0.2 . 1 . . . . 4 PRO CB . 16930 1 11 . 1 1 5 5 PHE H H 1 8.235 0.02 . 1 . . . . 5 PHE H . 16930 1 12 . 1 1 5 5 PHE C C 13 175.616 0.2 . 1 . . . . 5 PHE C . 16930 1 13 . 1 1 5 5 PHE CA C 13 58.639 0.2 . 1 . . . . 5 PHE CA . 16930 1 14 . 1 1 5 5 PHE CB C 13 38.756 0.2 . 1 . . . . 5 PHE CB . 16930 1 15 . 1 1 5 5 PHE N N 15 118.355 0.2 . 1 . . . . 5 PHE N . 16930 1 16 . 1 1 6 6 THR H H 1 7.743 0.02 . 1 . . . . 6 THR H . 16930 1 17 . 1 1 6 6 THR C C 13 177.309 0.2 . 1 . . . . 6 THR C . 16930 1 18 . 1 1 6 6 THR CA C 13 63.055 0.2 . 1 . . . . 6 THR CA . 16930 1 19 . 1 1 6 6 THR CB C 13 69.585 0.2 . 1 . . . . 6 THR CB . 16930 1 20 . 1 1 6 6 THR N N 15 114.685 0.2 . 1 . . . . 6 THR N . 16930 1 21 . 1 1 7 7 LYS H H 1 8.013 0.02 . 1 . . . . 7 LYS H . 16930 1 22 . 1 1 7 7 LYS C C 13 175.679 0.2 . 1 . . . . 7 LYS C . 16930 1 23 . 1 1 7 7 LYS CA C 13 57.064 0.2 . 1 . . . . 7 LYS CA . 16930 1 24 . 1 1 7 7 LYS CB C 13 32.537 0.2 . 1 . . . . 7 LYS CB . 16930 1 25 . 1 1 7 7 LYS N N 15 122.257 0.2 . 1 . . . . 7 LYS N . 16930 1 26 . 1 1 8 8 PHE H H 1 7.896 0.02 . 1 . . . . 8 PHE H . 16930 1 27 . 1 1 8 8 PHE C C 13 176.651 0.2 . 1 . . . . 8 PHE C . 16930 1 28 . 1 1 8 8 PHE CA C 13 58.124 0.2 . 1 . . . . 8 PHE CA . 16930 1 29 . 1 1 8 8 PHE CB C 13 39.525 0.2 . 1 . . . . 8 PHE CB . 16930 1 30 . 1 1 8 8 PHE N N 15 119.713 0.2 . 1 . . . . 8 PHE N . 16930 1 31 . 1 1 9 9 PHE H H 1 7.937 0.02 . 1 . . . . 9 PHE H . 16930 1 32 . 1 1 9 9 PHE C C 13 177.085 0.2 . 1 . . . . 9 PHE C . 16930 1 33 . 1 1 9 9 PHE CA C 13 58.113 0.2 . 1 . . . . 9 PHE CA . 16930 1 34 . 1 1 9 9 PHE CB C 13 39.714 0.2 . 1 . . . . 9 PHE CB . 16930 1 35 . 1 1 9 9 PHE N N 15 121.224 0.2 . 1 . . . . 9 PHE N . 16930 1 36 . 1 1 10 10 TYR H H 1 7.823 0.02 . 1 . . . . 10 TYR H . 16930 1 37 . 1 1 10 10 TYR C C 13 176.857 0.2 . 1 . . . . 10 TYR C . 16930 1 38 . 1 1 10 10 TYR CA C 13 58.065 0.2 . 1 . . . . 10 TYR CA . 16930 1 39 . 1 1 10 10 TYR CB C 13 39.053 0.2 . 1 . . . . 10 TYR CB . 16930 1 40 . 1 1 10 10 TYR N N 15 120.533 0.2 . 1 . . . . 10 TYR N . 16930 1 41 . 1 1 11 11 SER H H 1 7.833 0.02 . 1 . . . . 11 SER H . 16930 1 42 . 1 1 11 11 SER C C 13 177.980 0.2 . 1 . . . . 11 SER C . 16930 1 43 . 1 1 11 11 SER CA C 13 58.168 0.2 . 1 . . . . 11 SER CA . 16930 1 44 . 1 1 11 11 SER CB C 13 64.190 0.2 . 1 . . . . 11 SER CB . 16930 1 45 . 1 1 11 11 SER N N 15 116.903 0.2 . 1 . . . . 11 SER N . 16930 1 46 . 1 1 12 12 ASP H H 1 8.293 0.02 . 1 . . . . 12 ASP H . 16930 1 47 . 1 1 12 12 ASP C C 13 175.800 0.2 . 1 . . . . 12 ASP C . 16930 1 48 . 1 1 12 12 ASP CA C 13 54.421 0.2 . 1 . . . . 12 ASP CA . 16930 1 49 . 1 1 12 12 ASP CB C 13 40.851 0.2 . 1 . . . . 12 ASP CB . 16930 1 50 . 1 1 12 12 ASP N N 15 122.234 0.2 . 1 . . . . 12 ASP N . 16930 1 51 . 1 1 13 13 GLN H H 1 8.092 0.02 . 1 . . . . 13 GLN H . 16930 1 52 . 1 1 13 13 GLN C C 13 176.197 0.2 . 1 . . . . 13 GLN C . 16930 1 53 . 1 1 13 13 GLN CA C 13 56.251 0.2 . 1 . . . . 13 GLN CA . 16930 1 54 . 1 1 13 13 GLN CB C 13 29.051 0.2 . 1 . . . . 13 GLN CB . 16930 1 55 . 1 1 13 13 GLN N N 15 118.782 0.2 . 1 . . . . 13 GLN N . 16930 1 56 . 1 1 14 14 ASN H H 1 8.284 0.02 . 1 . . . . 14 ASN H . 16930 1 57 . 1 1 14 14 ASN C C 13 177.057 0.2 . 1 . . . . 14 ASN C . 16930 1 58 . 1 1 14 14 ASN CA C 13 53.545 0.2 . 1 . . . . 14 ASN CA . 16930 1 59 . 1 1 14 14 ASN CB C 13 38.976 0.2 . 1 . . . . 14 ASN CB . 16930 1 60 . 1 1 14 14 ASN N N 15 118.859 0.2 . 1 . . . . 14 ASN N . 16930 1 61 . 1 1 15 15 VAL H H 1 7.989 0.02 . 1 . . . . 15 VAL H . 16930 1 62 . 1 1 15 15 VAL C C 13 177.241 0.2 . 1 . . . . 15 VAL C . 16930 1 63 . 1 1 15 15 VAL CA C 13 62.612 0.2 . 1 . . . . 15 VAL CA . 16930 1 64 . 1 1 15 15 VAL CB C 13 32.589 0.2 . 1 . . . . 15 VAL CB . 16930 1 65 . 1 1 15 15 VAL N N 15 120.850 0.2 . 1 . . . . 15 VAL N . 16930 1 66 . 1 1 16 16 ASP H H 1 8.337 0.02 . 1 . . . . 16 ASP H . 16930 1 67 . 1 1 16 16 ASP C C 13 175.649 0.2 . 1 . . . . 16 ASP C . 16930 1 68 . 1 1 16 16 ASP CA C 13 54.191 0.2 . 1 . . . . 16 ASP CA . 16930 1 69 . 1 1 16 16 ASP CB C 13 41.687 0.2 . 1 . . . . 16 ASP CB . 16930 1 70 . 1 1 16 16 ASP N N 15 123.743 0.2 . 1 . . . . 16 ASP N . 16930 1 71 . 1 1 17 17 SER H H 1 8.193 0.02 . 1 . . . . 17 SER H . 16930 1 72 . 1 1 17 17 SER C C 13 177.579 0.2 . 1 . . . . 17 SER C . 16930 1 73 . 1 1 17 17 SER CA C 13 58.596 0.2 . 1 . . . . 17 SER CA . 16930 1 74 . 1 1 17 17 SER CB C 13 63.663 0.2 . 1 . . . . 17 SER CB . 16930 1 75 . 1 1 17 17 SER N N 15 115.756 0.2 . 1 . . . . 17 SER N . 16930 1 76 . 1 1 18 18 ARG H H 1 8.099 0.02 . 1 . . . . 18 ARG H . 16930 1 77 . 1 1 18 18 ARG C C 13 176.212 0.2 . 1 . . . . 18 ARG C . 16930 1 78 . 1 1 18 18 ARG CA C 13 57.093 0.2 . 1 . . . . 18 ARG CA . 16930 1 79 . 1 1 18 18 ARG CB C 13 30.082 0.2 . 1 . . . . 18 ARG CB . 16930 1 80 . 1 1 18 18 ARG N N 15 120.634 0.2 . 1 . . . . 18 ARG N . 16930 1 81 . 1 1 19 19 ASP H H 1 7.860 0.02 . 1 . . . . 19 ASP H . 16930 1 82 . 1 1 19 19 ASP CA C 13 57.094 0.2 . 1 . . . . 19 ASP CA . 16930 1 83 . 1 1 19 19 ASP CB C 13 41.597 0.2 . 1 . . . . 19 ASP CB . 16930 1 84 . 1 1 19 19 ASP N N 15 118.986 0.2 . 1 . . . . 19 ASP N . 16930 1 85 . 1 1 20 20 PRO C C 13 173.143 0.2 . 1 . . . . 20 PRO C . 16930 1 86 . 1 1 20 20 PRO CA C 13 64.847 0.2 . 1 . . . . 20 PRO CA . 16930 1 87 . 1 1 20 20 PRO CB C 13 32.272 0.2 . 1 . . . . 20 PRO CB . 16930 1 88 . 1 1 21 21 VAL H H 1 7.877 0.02 . 1 . . . . 21 VAL H . 16930 1 89 . 1 1 21 21 VAL C C 13 173.163 0.2 . 1 . . . . 21 VAL C . 16930 1 90 . 1 1 21 21 VAL CA C 13 66.146 0.2 . 1 . . . . 21 VAL CA . 16930 1 91 . 1 1 21 21 VAL CB C 13 31.275 0.2 . 1 . . . . 21 VAL CB . 16930 1 92 . 1 1 21 21 VAL N N 15 120.851 0.2 . 1 . . . . 21 VAL N . 16930 1 93 . 1 1 22 22 GLN H H 1 7.539 0.02 . 1 . . . . 22 GLN H . 16930 1 94 . 1 1 22 22 GLN C C 13 173.428 0.2 . 1 . . . . 22 GLN C . 16930 1 95 . 1 1 22 22 GLN CA C 13 58.160 0.2 . 1 . . . . 22 GLN CA . 16930 1 96 . 1 1 22 22 GLN CB C 13 28.385 0.2 . 1 . . . . 22 GLN CB . 16930 1 97 . 1 1 22 22 GLN N N 15 120.719 0.2 . 1 . . . . 22 GLN N . 16930 1 98 . 1 1 23 23 LEU H H 1 8.243 0.02 . 1 . . . . 23 LEU H . 16930 1 99 . 1 1 23 23 LEU C C 13 173.821 0.2 . 1 . . . . 23 LEU C . 16930 1 100 . 1 1 23 23 LEU CA C 13 57.873 0.2 . 1 . . . . 23 LEU CA . 16930 1 101 . 1 1 23 23 LEU CB C 13 41.542 0.2 . 1 . . . . 23 LEU CB . 16930 1 102 . 1 1 23 23 LEU N N 15 119.102 0.2 . 1 . . . . 23 LEU N . 16930 1 103 . 1 1 24 24 ASN H H 1 7.775 0.02 . 1 . . . . 24 ASN H . 16930 1 104 . 1 1 24 24 ASN C C 13 175.736 0.2 . 1 . . . . 24 ASN C . 16930 1 105 . 1 1 24 24 ASN CA C 13 57.806 0.2 . 1 . . . . 24 ASN CA . 16930 1 106 . 1 1 24 24 ASN CB C 13 38.820 0.2 . 1 . . . . 24 ASN CB . 16930 1 107 . 1 1 24 24 ASN N N 15 115.379 0.2 . 1 . . . . 24 ASN N . 16930 1 108 . 1 1 25 25 LEU H H 1 7.499 0.02 . 1 . . . . 25 LEU H . 16930 1 109 . 1 1 25 25 LEU C C 13 172.232 0.2 . 1 . . . . 25 LEU C . 16930 1 110 . 1 1 25 25 LEU CA C 13 58.323 0.2 . 1 . . . . 25 LEU CA . 16930 1 111 . 1 1 25 25 LEU CB C 13 41.407 0.2 . 1 . . . . 25 LEU CB . 16930 1 112 . 1 1 25 25 LEU N N 15 118.134 0.2 . 1 . . . . 25 LEU N . 16930 1 113 . 1 1 26 26 LEU H H 1 7.918 0.02 . 1 . . . . 26 LEU H . 16930 1 114 . 1 1 26 26 LEU C C 13 172.296 0.2 . 1 . . . . 26 LEU C . 16930 1 115 . 1 1 26 26 LEU CA C 13 57.588 0.2 . 1 . . . . 26 LEU CA . 16930 1 116 . 1 1 26 26 LEU CB C 13 42.385 0.2 . 1 . . . . 26 LEU CB . 16930 1 117 . 1 1 26 26 LEU N N 15 118.979 0.2 . 1 . . . . 26 LEU N . 16930 1 118 . 1 1 27 27 TYR H H 1 8.468 0.02 . 1 . . . . 27 TYR H . 16930 1 119 . 1 1 27 27 TYR C C 13 177.329 0.2 . 1 . . . . 27 TYR C . 16930 1 120 . 1 1 27 27 TYR CA C 13 60.774 0.2 . 1 . . . . 27 TYR CA . 16930 1 121 . 1 1 27 27 TYR CB C 13 37.863 0.2 . 1 . . . . 27 TYR CB . 16930 1 122 . 1 1 27 27 TYR N N 15 120.943 0.2 . 1 . . . . 27 TYR N . 16930 1 123 . 1 1 28 28 VAL H H 1 8.361 0.02 . 1 . . . . 28 VAL H . 16930 1 124 . 1 1 28 28 VAL C C 13 174.718 0.2 . 1 . . . . 28 VAL C . 16930 1 125 . 1 1 28 28 VAL CA C 13 66.878 0.2 . 1 . . . . 28 VAL CA . 16930 1 126 . 1 1 28 28 VAL CB C 13 31.315 0.2 . 1 . . . . 28 VAL CB . 16930 1 127 . 1 1 28 28 VAL N N 15 118.390 0.2 . 1 . . . . 28 VAL N . 16930 1 128 . 1 1 29 29 GLN H H 1 7.287 0.02 . 1 . . . . 29 GLN H . 16930 1 129 . 1 1 29 29 GLN C C 13 174.428 0.2 . 1 . . . . 29 GLN C . 16930 1 130 . 1 1 29 29 GLN CA C 13 58.651 0.2 . 1 . . . . 29 GLN CA . 16930 1 131 . 1 1 29 29 GLN CB C 13 28.674 0.2 . 1 . . . . 29 GLN CB . 16930 1 132 . 1 1 29 29 GLN N N 15 116.015 0.2 . 1 . . . . 29 GLN N . 16930 1 133 . 1 1 30 30 ALA H H 1 7.673 0.02 . 1 . . . . 30 ALA H . 16930 1 134 . 1 1 30 30 ALA C C 13 172.731 0.2 . 1 . . . . 30 ALA C . 16930 1 135 . 1 1 30 30 ALA CA C 13 54.886 0.2 . 1 . . . . 30 ALA CA . 16930 1 136 . 1 1 30 30 ALA CB C 13 17.946 0.2 . 1 . . . . 30 ALA CB . 16930 1 137 . 1 1 30 30 ALA N N 15 120.640 0.2 . 1 . . . . 30 ALA N . 16930 1 138 . 1 1 31 31 ARG H H 1 8.596 0.02 . 1 . . . . 31 ARG H . 16930 1 139 . 1 1 31 31 ARG C C 13 173.199 0.2 . 1 . . . . 31 ARG C . 16930 1 140 . 1 1 31 31 ARG CA C 13 57.020 0.2 . 1 . . . . 31 ARG CA . 16930 1 141 . 1 1 31 31 ARG CB C 13 29.170 0.2 . 1 . . . . 31 ARG CB . 16930 1 142 . 1 1 31 31 ARG N N 15 119.524 0.2 . 1 . . . . 31 ARG N . 16930 1 143 . 1 1 32 32 ASP H H 1 8.550 0.02 . 1 . . . . 32 ASP H . 16930 1 144 . 1 1 32 32 ASP C C 13 173.386 0.2 . 1 . . . . 32 ASP C . 16930 1 145 . 1 1 32 32 ASP CA C 13 57.607 0.2 . 1 . . . . 32 ASP CA . 16930 1 146 . 1 1 32 32 ASP CB C 13 38.522 0.2 . 1 . . . . 32 ASP CB . 16930 1 147 . 1 1 32 32 ASP N N 15 120.047 0.2 . 1 . . . . 32 ASP N . 16930 1 148 . 1 1 33 33 ASP H H 1 7.650 0.02 . 1 . . . . 33 ASP H . 16930 1 149 . 1 1 33 33 ASP C C 13 173.181 0.2 . 1 . . . . 33 ASP C . 16930 1 150 . 1 1 33 33 ASP CA C 13 56.798 0.2 . 1 . . . . 33 ASP CA . 16930 1 151 . 1 1 33 33 ASP CB C 13 40.097 0.2 . 1 . . . . 33 ASP CB . 16930 1 152 . 1 1 33 33 ASP N N 15 119.151 0.2 . 1 . . . . 33 ASP N . 16930 1 153 . 1 1 34 34 ILE H H 1 7.572 0.02 . 1 . . . . 34 ILE H . 16930 1 154 . 1 1 34 34 ILE C C 13 171.822 0.2 . 1 . . . . 34 ILE C . 16930 1 155 . 1 1 34 34 ILE CA C 13 63.944 0.2 . 1 . . . . 34 ILE CA . 16930 1 156 . 1 1 34 34 ILE CB C 13 37.057 0.2 . 1 . . . . 34 ILE CB . 16930 1 157 . 1 1 34 34 ILE N N 15 122.511 0.2 . 1 . . . . 34 ILE N . 16930 1 158 . 1 1 35 35 LEU H H 1 8.968 0.02 . 1 . . . . 35 LEU H . 16930 1 159 . 1 1 35 35 LEU C C 13 172.275 0.2 . 1 . . . . 35 LEU C . 16930 1 160 . 1 1 35 35 LEU CA C 13 58.114 0.2 . 1 . . . . 35 LEU CA . 16930 1 161 . 1 1 35 35 LEU CB C 13 41.096 0.2 . 1 . . . . 35 LEU CB . 16930 1 162 . 1 1 35 35 LEU N N 15 119.861 0.2 . 1 . . . . 35 LEU N . 16930 1 163 . 1 1 36 36 ASN H H 1 8.532 0.02 . 1 . . . . 36 ASN H . 16930 1 164 . 1 1 36 36 ASN C C 13 175.125 0.2 . 1 . . . . 36 ASN C . 16930 1 165 . 1 1 36 36 ASN CA C 13 52.989 0.2 . 1 . . . . 36 ASN CA . 16930 1 166 . 1 1 36 36 ASN CB C 13 37.934 0.2 . 1 . . . . 36 ASN CB . 16930 1 167 . 1 1 36 36 ASN N N 15 114.041 0.2 . 1 . . . . 36 ASN N . 16930 1 168 . 1 1 37 37 GLY H H 1 7.494 0.02 . 1 . . . . 37 GLY H . 16930 1 169 . 1 1 37 37 GLY C C 13 177.326 0.2 . 1 . . . . 37 GLY C . 16930 1 170 . 1 1 37 37 GLY CA C 13 45.623 0.2 . 1 . . . . 37 GLY CA . 16930 1 171 . 1 1 37 37 GLY N N 15 107.210 0.2 . 1 . . . . 37 GLY N . 16930 1 172 . 1 1 38 38 SER H H 1 8.489 0.02 . 1 . . . . 38 SER H . 16930 1 173 . 1 1 38 38 SER C C 13 177.969 0.2 . 1 . . . . 38 SER C . 16930 1 174 . 1 1 38 38 SER CA C 13 61.003 0.2 . 1 . . . . 38 SER CA . 16930 1 175 . 1 1 38 38 SER CB C 13 62.698 0.2 . 1 . . . . 38 SER CB . 16930 1 176 . 1 1 38 38 SER N N 15 117.653 0.2 . 1 . . . . 38 SER N . 16930 1 177 . 1 1 39 39 HIS H H 1 7.593 0.02 . 1 . . . . 39 HIS H . 16930 1 178 . 1 1 39 39 HIS CA C 13 51.057 0.2 . 1 . . . . 39 HIS CA . 16930 1 179 . 1 1 39 39 HIS CB C 13 31.251 0.2 . 1 . . . . 39 HIS CB . 16930 1 180 . 1 1 39 39 HIS N N 15 120.490 0.2 . 1 . . . . 39 HIS N . 16930 1 181 . 1 1 40 40 PRO CA C 13 63.310 0.2 . 1 . . . . 40 PRO CA . 16930 1 182 . 1 1 40 40 PRO CB C 13 32.016 0.2 . 1 . . . . 40 PRO CB . 16930 1 183 . 1 1 41 41 VAL H H 1 8.146 0.02 . 1 . . . . 41 VAL H . 16930 1 184 . 1 1 41 41 VAL C C 13 176.422 0.2 . 1 . . . . 41 VAL C . 16930 1 185 . 1 1 41 41 VAL CA C 13 58.892 0.2 . 1 . . . . 41 VAL CA . 16930 1 186 . 1 1 41 41 VAL CB C 13 36.753 0.2 . 1 . . . . 41 VAL CB . 16930 1 187 . 1 1 41 41 VAL N N 15 115.861 0.2 . 1 . . . . 41 VAL N . 16930 1 188 . 1 1 42 42 SER H H 1 8.839 0.02 . 1 . . . . 42 SER H . 16930 1 189 . 1 1 42 42 SER C C 13 178.170 0.2 . 1 . . . . 42 SER C . 16930 1 190 . 1 1 42 42 SER CA C 13 57.565 0.2 . 1 . . . . 42 SER CA . 16930 1 191 . 1 1 42 42 SER CB C 13 64.991 0.2 . 1 . . . . 42 SER CB . 16930 1 192 . 1 1 42 42 SER N N 15 119.319 0.2 . 1 . . . . 42 SER N . 16930 1 193 . 1 1 43 43 PHE H H 1 9.025 0.02 . 1 . . . . 43 PHE H . 16930 1 194 . 1 1 43 43 PHE C C 13 174.675 0.2 . 1 . . . . 43 PHE C . 16930 1 195 . 1 1 43 43 PHE CA C 13 60.205 0.2 . 1 . . . . 43 PHE CA . 16930 1 196 . 1 1 43 43 PHE CB C 13 38.720 0.2 . 1 . . . . 43 PHE CB . 16930 1 197 . 1 1 43 43 PHE N N 15 123.439 0.2 . 1 . . . . 43 PHE N . 16930 1 198 . 1 1 44 44 ASP H H 1 8.465 0.02 . 1 . . . . 44 ASP H . 16930 1 199 . 1 1 44 44 ASP C C 13 172.113 0.2 . 1 . . . . 44 ASP C . 16930 1 200 . 1 1 44 44 ASP CA C 13 57.616 0.2 . 1 . . . . 44 ASP CA . 16930 1 201 . 1 1 44 44 ASP CB C 13 40.058 0.2 . 1 . . . . 44 ASP CB . 16930 1 202 . 1 1 44 44 ASP N N 15 117.171 0.2 . 1 . . . . 44 ASP N . 16930 1 203 . 1 1 45 45 LYS H H 1 7.564 0.02 . 1 . . . . 45 LYS H . 16930 1 204 . 1 1 45 45 LYS C C 13 174.039 0.2 . 1 . . . . 45 LYS C . 16930 1 205 . 1 1 45 45 LYS CA C 13 57.356 0.2 . 1 . . . . 45 LYS CA . 16930 1 206 . 1 1 45 45 LYS CB C 13 31.013 0.2 . 1 . . . . 45 LYS CB . 16930 1 207 . 1 1 45 45 LYS N N 15 118.933 0.2 . 1 . . . . 45 LYS N . 16930 1 208 . 1 1 46 46 ALA H H 1 9.105 0.02 . 1 . . . . 46 ALA H . 16930 1 209 . 1 1 46 46 ALA C C 13 171.126 0.2 . 1 . . . . 46 ALA C . 16930 1 210 . 1 1 46 46 ALA CA C 13 56.062 0.2 . 1 . . . . 46 ALA CA . 16930 1 211 . 1 1 46 46 ALA CB C 13 17.783 0.2 . 1 . . . . 46 ALA CB . 16930 1 212 . 1 1 46 46 ALA N N 15 122.001 0.2 . 1 . . . . 46 ALA N . 16930 1 213 . 1 1 47 47 CYS H H 1 7.707 0.02 . 1 . . . . 47 CYS H . 16930 1 214 . 1 1 47 47 CYS C C 13 176.879 0.2 . 1 . . . . 47 CYS C . 16930 1 215 . 1 1 47 47 CYS CA C 13 63.977 0.2 . 1 . . . . 47 CYS CA . 16930 1 216 . 1 1 47 47 CYS CB C 13 26.961 0.2 . 1 . . . . 47 CYS CB . 16930 1 217 . 1 1 47 47 CYS N N 15 115.613 0.2 . 1 . . . . 47 CYS N . 16930 1 218 . 1 1 48 48 GLU H H 1 7.215 0.02 . 1 . . . . 48 GLU H . 16930 1 219 . 1 1 48 48 GLU C C 13 172.083 0.2 . 1 . . . . 48 GLU C . 16930 1 220 . 1 1 48 48 GLU CA C 13 59.920 0.2 . 1 . . . . 48 GLU CA . 16930 1 221 . 1 1 48 48 GLU CB C 13 29.132 0.2 . 1 . . . . 48 GLU CB . 16930 1 222 . 1 1 48 48 GLU N N 15 121.475 0.2 . 1 . . . . 48 GLU N . 16930 1 223 . 1 1 49 49 PHE H H 1 8.495 0.02 . 1 . . . . 49 PHE H . 16930 1 224 . 1 1 49 49 PHE C C 13 174.049 0.2 . 1 . . . . 49 PHE C . 16930 1 225 . 1 1 49 49 PHE CA C 13 63.922 0.2 . 1 . . . . 49 PHE CA . 16930 1 226 . 1 1 49 49 PHE CB C 13 37.583 0.2 . 1 . . . . 49 PHE CB . 16930 1 227 . 1 1 49 49 PHE N N 15 118.582 0.2 . 1 . . . . 49 PHE N . 16930 1 228 . 1 1 50 50 ALA H H 1 8.138 0.02 . 1 . . . . 50 ALA H . 16930 1 229 . 1 1 50 50 ALA C C 13 172.040 0.2 . 1 . . . . 50 ALA C . 16930 1 230 . 1 1 50 50 ALA CA C 13 54.590 0.2 . 1 . . . . 50 ALA CA . 16930 1 231 . 1 1 50 50 ALA CB C 13 19.226 0.2 . 1 . . . . 50 ALA CB . 16930 1 232 . 1 1 50 50 ALA N N 15 119.766 0.2 . 1 . . . . 50 ALA N . 16930 1 233 . 1 1 51 51 GLY H H 1 8.134 0.02 . 1 . . . . 51 GLY H . 16930 1 234 . 1 1 51 51 GLY C C 13 176.473 0.2 . 1 . . . . 51 GLY C . 16930 1 235 . 1 1 51 51 GLY CA C 13 48.040 0.2 . 1 . . . . 51 GLY CA . 16930 1 236 . 1 1 51 51 GLY N N 15 107.274 0.2 . 1 . . . . 51 GLY N . 16930 1 237 . 1 1 52 52 PHE H H 1 7.303 0.02 . 1 . . . . 52 PHE H . 16930 1 238 . 1 1 52 52 PHE C C 13 174.042 0.2 . 1 . . . . 52 PHE C . 16930 1 239 . 1 1 52 52 PHE CA C 13 60.483 0.2 . 1 . . . . 52 PHE CA . 16930 1 240 . 1 1 52 52 PHE CB C 13 39.808 0.2 . 1 . . . . 52 PHE CB . 16930 1 241 . 1 1 52 52 PHE N N 15 119.306 0.2 . 1 . . . . 52 PHE N . 16930 1 242 . 1 1 53 53 GLN H H 1 9.096 0.02 . 1 . . . . 53 GLN H . 16930 1 243 . 1 1 53 53 GLN C C 13 172.730 0.2 . 1 . . . . 53 GLN C . 16930 1 244 . 1 1 53 53 GLN CA C 13 59.725 0.2 . 1 . . . . 53 GLN CA . 16930 1 245 . 1 1 53 53 GLN CB C 13 28.645 0.2 . 1 . . . . 53 GLN CB . 16930 1 246 . 1 1 53 53 GLN N N 15 121.718 0.2 . 1 . . . . 53 GLN N . 16930 1 247 . 1 1 54 54 CYS H H 1 8.802 0.02 . 1 . . . . 54 CYS H . 16930 1 248 . 1 1 54 54 CYS C C 13 176.247 0.2 . 1 . . . . 54 CYS C . 16930 1 249 . 1 1 54 54 CYS CA C 13 64.521 0.2 . 1 . . . . 54 CYS CA . 16930 1 250 . 1 1 54 54 CYS CB C 13 24.762 0.2 . 1 . . . . 54 CYS CB . 16930 1 251 . 1 1 54 54 CYS N N 15 117.821 0.2 . 1 . . . . 54 CYS N . 16930 1 252 . 1 1 55 55 GLN H H 1 7.659 0.02 . 1 . . . . 55 GLN H . 16930 1 253 . 1 1 55 55 GLN C C 13 172.067 0.2 . 1 . . . . 55 GLN C . 16930 1 254 . 1 1 55 55 GLN CA C 13 58.796 0.2 . 1 . . . . 55 GLN CA . 16930 1 255 . 1 1 55 55 GLN CB C 13 27.045 0.2 . 1 . . . . 55 GLN CB . 16930 1 256 . 1 1 55 55 GLN N N 15 123.079 0.2 . 1 . . . . 55 GLN N . 16930 1 257 . 1 1 56 56 ILE H H 1 8.282 0.02 . 1 . . . . 56 ILE H . 16930 1 258 . 1 1 56 56 ILE C C 13 174.821 0.2 . 1 . . . . 56 ILE C . 16930 1 259 . 1 1 56 56 ILE CA C 13 65.527 0.2 . 1 . . . . 56 ILE CA . 16930 1 260 . 1 1 56 56 ILE CB C 13 39.146 0.2 . 1 . . . . 56 ILE CB . 16930 1 261 . 1 1 56 56 ILE N N 15 119.505 0.2 . 1 . . . . 56 ILE N . 16930 1 262 . 1 1 57 57 GLN H H 1 8.247 0.02 . 1 . . . . 57 GLN H . 16930 1 263 . 1 1 57 57 GLN C C 13 174.032 0.2 . 1 . . . . 57 GLN C . 16930 1 264 . 1 1 57 57 GLN CA C 13 58.868 0.2 . 1 . . . . 57 GLN CA . 16930 1 265 . 1 1 57 57 GLN CB C 13 28.283 0.2 . 1 . . . . 57 GLN CB . 16930 1 266 . 1 1 57 57 GLN N N 15 115.735 0.2 . 1 . . . . 57 GLN N . 16930 1 267 . 1 1 58 58 PHE H H 1 8.898 0.02 . 1 . . . . 58 PHE H . 16930 1 268 . 1 1 58 58 PHE C C 13 174.587 0.2 . 1 . . . . 58 PHE C . 16930 1 269 . 1 1 58 58 PHE CA C 13 56.444 0.2 . 1 . . . . 58 PHE CA . 16930 1 270 . 1 1 58 58 PHE CB C 13 40.269 0.2 . 1 . . . . 58 PHE CB . 16930 1 271 . 1 1 58 58 PHE N N 15 114.893 0.2 . 1 . . . . 58 PHE N . 16930 1 272 . 1 1 59 59 GLY H H 1 7.658 0.02 . 1 . . . . 59 GLY H . 16930 1 273 . 1 1 59 59 GLY CA C 13 44.446 0.2 . 1 . . . . 59 GLY CA . 16930 1 274 . 1 1 59 59 GLY N N 15 111.184 0.2 . 1 . . . . 59 GLY N . 16930 1 275 . 1 1 60 60 PRO C C 13 175.996 0.2 . 1 . . . . 60 PRO C . 16930 1 276 . 1 1 60 60 PRO CA C 13 62.642 0.2 . 1 . . . . 60 PRO CA . 16930 1 277 . 1 1 60 60 PRO CB C 13 32.096 0.2 . 1 . . . . 60 PRO CB . 16930 1 278 . 1 1 61 61 HIS H H 1 8.870 0.02 . 1 . . . . 61 HIS H . 16930 1 279 . 1 1 61 61 HIS C C 13 177.261 0.2 . 1 . . . . 61 HIS C . 16930 1 280 . 1 1 61 61 HIS CA C 13 58.392 0.2 . 1 . . . . 61 HIS CA . 16930 1 281 . 1 1 61 61 HIS CB C 13 28.361 0.2 . 1 . . . . 61 HIS CB . 16930 1 282 . 1 1 61 61 HIS N N 15 124.165 0.2 . 1 . . . . 61 HIS N . 16930 1 283 . 1 1 62 62 ASN H H 1 10.033 0.02 . 1 . . . . 62 ASN H . 16930 1 284 . 1 1 62 62 ASN C C 13 177.132 0.2 . 1 . . . . 62 ASN C . 16930 1 285 . 1 1 62 62 ASN CA C 13 51.209 0.2 . 1 . . . . 62 ASN CA . 16930 1 286 . 1 1 62 62 ASN CB C 13 39.269 0.2 . 1 . . . . 62 ASN CB . 16930 1 287 . 1 1 62 62 ASN N N 15 112.025 10.2 . 1 . . . . 62 ASN N . 16930 1 288 . 1 1 63 63 GLU H H 1 9.071 0.02 . 1 . . . . 63 GLU H . 16930 1 289 . 1 1 63 63 GLU C C 13 175.612 0.2 . 1 . . . . 63 GLU C . 16930 1 290 . 1 1 63 63 GLU CA C 13 58.675 0.2 . 1 . . . . 63 GLU CA . 16930 1 291 . 1 1 63 63 GLU CB C 13 29.379 0.2 . 1 . . . . 63 GLU CB . 16930 1 292 . 1 1 63 63 GLU N N 15 125.353 0.2 . 1 . . . . 63 GLU N . 16930 1 293 . 1 1 64 64 GLN H H 1 7.555 0.02 . 1 . . . . 64 GLN H . 16930 1 294 . 1 1 64 64 GLN C C 13 175.992 0.2 . 1 . . . . 64 GLN C . 16930 1 295 . 1 1 64 64 GLN CA C 13 57.292 0.2 . 1 . . . . 64 GLN CA . 16930 1 296 . 1 1 64 64 GLN CB C 13 28.377 0.2 . 1 . . . . 64 GLN CB . 16930 1 297 . 1 1 64 64 GLN N N 15 114.516 0.2 . 1 . . . . 64 GLN N . 16930 1 298 . 1 1 65 65 LYS H H 1 6.784 0.02 . 1 . . . . 65 LYS H . 16930 1 299 . 1 1 65 65 LYS C C 13 176.423 0.2 . 1 . . . . 65 LYS C . 16930 1 300 . 1 1 65 65 LYS CA C 13 56.029 0.2 . 1 . . . . 65 LYS CA . 16930 1 301 . 1 1 65 65 LYS CB C 13 35.027 0.2 . 1 . . . . 65 LYS CB . 16930 1 302 . 1 1 65 65 LYS N N 15 116.212 0.2 . 1 . . . . 65 LYS N . 16930 1 303 . 1 1 66 66 HIS H H 1 7.759 0.02 . 1 . . . . 66 HIS H . 16930 1 304 . 1 1 66 66 HIS C C 13 180.375 0.2 . 1 . . . . 66 HIS C . 16930 1 305 . 1 1 66 66 HIS CA C 13 53.934 0.2 . 1 . . . . 66 HIS CA . 16930 1 306 . 1 1 66 66 HIS CB C 13 29.332 0.2 . 1 . . . . 66 HIS CB . 16930 1 307 . 1 1 66 66 HIS N N 15 122.249 0.2 . 1 . . . . 66 HIS N . 16930 1 308 . 1 1 67 67 LYS H H 1 6.576 0.02 . 1 . . . . 67 LYS H . 16930 1 309 . 1 1 67 67 LYS C C 13 176.927 0.2 . 1 . . . . 67 LYS C . 16930 1 310 . 1 1 67 67 LYS CA C 13 53.901 0.2 . 1 . . . . 67 LYS CA . 16930 1 311 . 1 1 67 67 LYS CB C 13 34.693 0.2 . 1 . . . . 67 LYS CB . 16930 1 312 . 1 1 67 67 LYS N N 15 118.096 0.2 . 1 . . . . 67 LYS N . 16930 1 313 . 1 1 68 68 ALA H H 1 8.359 0.02 . 1 . . . . 68 ALA H . 16930 1 314 . 1 1 68 68 ALA C C 13 173.241 0.2 . 1 . . . . 68 ALA C . 16930 1 315 . 1 1 68 68 ALA CA C 13 54.053 0.2 . 1 . . . . 68 ALA CA . 16930 1 316 . 1 1 68 68 ALA CB C 13 18.172 0.2 . 1 . . . . 68 ALA CB . 16930 1 317 . 1 1 68 68 ALA N N 15 121.819 0.2 . 1 . . . . 68 ALA N . 16930 1 318 . 1 1 69 69 GLY H H 1 10.109 0.02 . 1 . . . . 69 GLY H . 16930 1 319 . 1 1 69 69 GLY C C 13 176.872 0.2 . 1 . . . . 69 GLY C . 16930 1 320 . 1 1 69 69 GLY CA C 13 45.080 0.2 . 1 . . . . 69 GLY CA . 16930 1 321 . 1 1 69 69 GLY N N 15 114.407 0.2 . 1 . . . . 69 GLY N . 16930 1 322 . 1 1 70 70 PHE H H 1 8.563 0.02 . 1 . . . . 70 PHE H . 16930 1 323 . 1 1 70 70 PHE C C 13 176.445 0.2 . 1 . . . . 70 PHE C . 16930 1 324 . 1 1 70 70 PHE CA C 13 60.028 0.2 . 1 . . . . 70 PHE CA . 16930 1 325 . 1 1 70 70 PHE CB C 13 41.185 0.2 . 1 . . . . 70 PHE CB . 16930 1 326 . 1 1 70 70 PHE N N 15 121.642 0.2 . 1 . . . . 70 PHE N . 16930 1 327 . 1 1 71 71 LEU H H 1 7.963 0.02 . 1 . . . . 71 LEU H . 16930 1 328 . 1 1 71 71 LEU C C 13 175.757 0.2 . 1 . . . . 71 LEU C . 16930 1 329 . 1 1 71 71 LEU CA C 13 53.769 0.2 . 1 . . . . 71 LEU CA . 16930 1 330 . 1 1 71 71 LEU CB C 13 43.218 0.2 . 1 . . . . 71 LEU CB . 16930 1 331 . 1 1 71 71 LEU N N 15 115.663 0.2 . 1 . . . . 71 LEU N . 16930 1 332 . 1 1 72 72 ASP H H 1 8.704 0.02 . 1 . . . . 72 ASP H . 16930 1 333 . 1 1 72 72 ASP C C 13 174.681 0.2 . 1 . . . . 72 ASP C . 16930 1 334 . 1 1 72 72 ASP CA C 13 52.794 0.2 . 1 . . . . 72 ASP CA . 16930 1 335 . 1 1 72 72 ASP CB C 13 39.962 0.2 . 1 . . . . 72 ASP CB . 16930 1 336 . 1 1 72 72 ASP N N 15 123.113 0.2 . 1 . . . . 72 ASP N . 16930 1 337 . 1 1 73 73 LEU H H 1 8.541 0.02 . 1 . . . . 73 LEU H . 16930 1 338 . 1 1 73 73 LEU C C 13 173.803 0.2 . 1 . . . . 73 LEU C . 16930 1 339 . 1 1 73 73 LEU CA C 13 58.786 0.2 . 1 . . . . 73 LEU CA . 16930 1 340 . 1 1 73 73 LEU CB C 13 41.822 0.2 . 1 . . . . 73 LEU CB . 16930 1 341 . 1 1 73 73 LEU N N 15 124.594 0.2 . 1 . . . . 73 LEU N . 16930 1 342 . 1 1 74 74 LYS H H 1 8.307 0.02 . 1 . . . . 74 LYS H . 16930 1 343 . 1 1 74 74 LYS C C 13 174.943 0.2 . 1 . . . . 74 LYS C . 16930 1 344 . 1 1 74 74 LYS CA C 13 58.213 0.2 . 1 . . . . 74 LYS CA . 16930 1 345 . 1 1 74 74 LYS CB C 13 31.169 0.2 . 1 . . . . 74 LYS CB . 16930 1 346 . 1 1 74 74 LYS N N 15 116.425 0.2 . 1 . . . . 74 LYS N . 16930 1 347 . 1 1 75 75 ASP H H 1 7.995 0.02 . 1 . . . . 75 ASP H . 16930 1 348 . 1 1 75 75 ASP C C 13 176.708 0.2 . 1 . . . . 75 ASP C . 16930 1 349 . 1 1 75 75 ASP CA C 13 54.732 0.2 . 1 . . . . 75 ASP CA . 16930 1 350 . 1 1 75 75 ASP CB C 13 41.359 0.2 . 1 . . . . 75 ASP CB . 16930 1 351 . 1 1 75 75 ASP N N 15 117.736 0.2 . 1 . . . . 75 ASP N . 16930 1 352 . 1 1 76 76 PHE H H 1 7.495 0.02 . 1 . . . . 76 PHE H . 16930 1 353 . 1 1 76 76 PHE C C 13 178.624 0.2 . 1 . . . . 76 PHE C . 16930 1 354 . 1 1 76 76 PHE CA C 13 58.860 0.2 . 1 . . . . 76 PHE CA . 16930 1 355 . 1 1 76 76 PHE CB C 13 43.732 0.2 . 1 . . . . 76 PHE CB . 16930 1 356 . 1 1 76 76 PHE N N 15 114.978 0.2 . 1 . . . . 76 PHE N . 16930 1 357 . 1 1 77 77 LEU H H 1 7.438 0.02 . 1 . . . . 77 LEU H . 16930 1 358 . 1 1 77 77 LEU CA C 13 50.977 0.2 . 1 . . . . 77 LEU CA . 16930 1 359 . 1 1 77 77 LEU CB C 13 46.170 0.2 . 1 . . . . 77 LEU CB . 16930 1 360 . 1 1 77 77 LEU N N 15 118.051 0.2 . 1 . . . . 77 LEU N . 16930 1 361 . 1 1 78 78 PRO C C 13 174.470 0.2 . 1 . . . . 78 PRO C . 16930 1 362 . 1 1 78 78 PRO CA C 13 62.273 0.2 . 1 . . . . 78 PRO CA . 16930 1 363 . 1 1 78 78 PRO CB C 13 32.230 0.2 . 1 . . . . 78 PRO CB . 16930 1 364 . 1 1 79 79 LYS H H 1 8.515 0.02 . 1 . . . . 79 LYS H . 16930 1 365 . 1 1 79 79 LYS C C 13 173.603 0.2 . 1 . . . . 79 LYS C . 16930 1 366 . 1 1 79 79 LYS CA C 13 59.918 0.2 . 1 . . . . 79 LYS CA . 16930 1 367 . 1 1 79 79 LYS CB C 13 32.230 0.2 . 1 . . . . 79 LYS CB . 16930 1 368 . 1 1 79 79 LYS N N 15 122.676 0.2 . 1 . . . . 79 LYS N . 16930 1 369 . 1 1 80 80 GLU H H 1 9.223 0.02 . 1 . . . . 80 GLU H . 16930 1 370 . 1 1 80 80 GLU C C 13 174.702 0.2 . 1 . . . . 80 GLU C . 16930 1 371 . 1 1 80 80 GLU CA C 13 58.640 0.2 . 1 . . . . 80 GLU CA . 16930 1 372 . 1 1 80 80 GLU CB C 13 28.620 0.2 . 1 . . . . 80 GLU CB . 16930 1 373 . 1 1 80 80 GLU N N 15 117.622 0.2 . 1 . . . . 80 GLU N . 16930 1 374 . 1 1 81 81 TYR H H 1 7.955 0.02 . 1 . . . . 81 TYR H . 16930 1 375 . 1 1 81 81 TYR C C 13 175.554 0.2 . 1 . . . . 81 TYR C . 16930 1 376 . 1 1 81 81 TYR CA C 13 55.240 0.2 . 1 . . . . 81 TYR CA . 16930 1 377 . 1 1 81 81 TYR CB C 13 40.045 0.2 . 1 . . . . 81 TYR CB . 16930 1 378 . 1 1 81 81 TYR N N 15 115.789 0.2 . 1 . . . . 81 TYR N . 16930 1 379 . 1 1 82 82 VAL H H 1 7.248 0.02 . 1 . . . . 82 VAL H . 16930 1 380 . 1 1 82 82 VAL C C 13 175.783 0.2 . 1 . . . . 82 VAL C . 16930 1 381 . 1 1 82 82 VAL CA C 13 66.366 0.2 . 1 . . . . 82 VAL CA . 16930 1 382 . 1 1 82 82 VAL CB C 13 31.607 0.2 . 1 . . . . 82 VAL CB . 16930 1 383 . 1 1 82 82 VAL N N 15 119.759 0.2 . 1 . . . . 82 VAL N . 16930 1 384 . 1 1 83 83 LYS H H 1 8.131 0.02 . 1 . . . . 83 LYS H . 16930 1 385 . 1 1 83 83 LYS C C 13 175.736 0.2 . 1 . . . . 83 LYS C . 16930 1 386 . 1 1 83 83 LYS CA C 13 56.054 0.2 . 1 . . . . 83 LYS CA . 16930 1 387 . 1 1 83 83 LYS CB C 13 31.900 0.2 . 1 . . . . 83 LYS CB . 16930 1 388 . 1 1 83 83 LYS N N 15 118.308 0.2 . 1 . . . . 83 LYS N . 16930 1 389 . 1 1 84 84 GLN H H 1 7.497 0.02 . 1 . . . . 84 GLN H . 16930 1 390 . 1 1 84 84 GLN C C 13 176.201 0.2 . 1 . . . . 84 GLN C . 16930 1 391 . 1 1 84 84 GLN CA C 13 56.202 0.2 . 1 . . . . 84 GLN CA . 16930 1 392 . 1 1 84 84 GLN CB C 13 28.803 0.2 . 1 . . . . 84 GLN CB . 16930 1 393 . 1 1 84 84 GLN N N 15 118.305 0.2 . 1 . . . . 84 GLN N . 16930 1 394 . 1 1 85 85 LYS H H 1 8.350 0.02 . 1 . . . . 85 LYS H . 16930 1 395 . 1 1 85 85 LYS C C 13 174.247 0.2 . 1 . . . . 85 LYS C . 16930 1 396 . 1 1 85 85 LYS CA C 13 56.816 0.2 . 1 . . . . 85 LYS CA . 16930 1 397 . 1 1 85 85 LYS CB C 13 29.551 0.2 . 1 . . . . 85 LYS CB . 16930 1 398 . 1 1 85 85 LYS N N 15 118.029 0.2 . 1 . . . . 85 LYS N . 16930 1 399 . 1 1 86 86 GLY H H 1 8.389 0.02 . 1 . . . . 86 GLY H . 16930 1 400 . 1 1 86 86 GLY C C 13 177.786 0.2 . 1 . . . . 86 GLY C . 16930 1 401 . 1 1 86 86 GLY CA C 13 46.319 0.2 . 1 . . . . 86 GLY CA . 16930 1 402 . 1 1 86 86 GLY N N 15 106.417 0.2 . 1 . . . . 86 GLY N . 16930 1 403 . 1 1 87 87 GLU H H 1 8.812 0.02 . 1 . . . . 87 GLU H . 16930 1 404 . 1 1 87 87 GLU C C 13 175.125 0.2 . 1 . . . . 87 GLU C . 16930 1 405 . 1 1 87 87 GLU CA C 13 61.579 0.2 . 1 . . . . 87 GLU CA . 16930 1 406 . 1 1 87 87 GLU CB C 13 29.727 0.2 . 1 . . . . 87 GLU CB . 16930 1 407 . 1 1 87 87 GLU N N 15 121.262 0.2 . 1 . . . . 87 GLU N . 16930 1 408 . 1 1 88 88 ARG H H 1 8.433 0.02 . 1 . . . . 88 ARG H . 16930 1 409 . 1 1 88 88 ARG C C 13 172.713 0.2 . 1 . . . . 88 ARG C . 16930 1 410 . 1 1 88 88 ARG CA C 13 59.733 0.2 . 1 . . . . 88 ARG CA . 16930 1 411 . 1 1 88 88 ARG CB C 13 29.536 0.2 . 1 . . . . 88 ARG CB . 16930 1 412 . 1 1 88 88 ARG N N 15 116.328 0.2 . 1 . . . . 88 ARG N . 16930 1 413 . 1 1 89 89 LYS H H 1 7.479 0.02 . 1 . . . . 89 LYS H . 16930 1 414 . 1 1 89 89 LYS C C 13 171.880 0.2 . 1 . . . . 89 LYS C . 16930 1 415 . 1 1 89 89 LYS CA C 13 59.197 0.2 . 1 . . . . 89 LYS CA . 16930 1 416 . 1 1 89 89 LYS CB C 13 32.480 0.2 . 1 . . . . 89 LYS CB . 16930 1 417 . 1 1 89 89 LYS N N 15 119.285 0.2 . 1 . . . . 89 LYS N . 16930 1 418 . 1 1 90 90 ILE H H 1 8.043 0.02 . 1 . . . . 90 ILE H . 16930 1 419 . 1 1 90 90 ILE C C 13 174.047 0.2 . 1 . . . . 90 ILE C . 16930 1 420 . 1 1 90 90 ILE CA C 13 65.633 0.2 . 1 . . . . 90 ILE CA . 16930 1 421 . 1 1 90 90 ILE CB C 13 37.791 0.2 . 1 . . . . 90 ILE CB . 16930 1 422 . 1 1 90 90 ILE N N 15 122.309 0.2 . 1 . . . . 90 ILE N . 16930 1 423 . 1 1 91 91 PHE H H 1 8.436 0.02 . 1 . . . . 91 PHE H . 16930 1 424 . 1 1 91 91 PHE C C 13 173.572 0.2 . 1 . . . . 91 PHE C . 16930 1 425 . 1 1 91 91 PHE CA C 13 58.690 0.2 . 1 . . . . 91 PHE CA . 16930 1 426 . 1 1 91 91 PHE CB C 13 37.351 0.2 . 1 . . . . 91 PHE CB . 16930 1 427 . 1 1 91 91 PHE N N 15 117.944 0.2 . 1 . . . . 91 PHE N . 16930 1 428 . 1 1 92 92 GLN H H 1 7.971 0.02 . 1 . . . . 92 GLN H . 16930 1 429 . 1 1 92 92 GLN C C 13 174.468 0.2 . 1 . . . . 92 GLN C . 16930 1 430 . 1 1 92 92 GLN CA C 13 58.847 0.2 . 1 . . . . 92 GLN CA . 16930 1 431 . 1 1 92 92 GLN CB C 13 28.387 0.2 . 1 . . . . 92 GLN CB . 16930 1 432 . 1 1 92 92 GLN N N 15 120.114 0.2 . 1 . . . . 92 GLN N . 16930 1 433 . 1 1 93 93 ALA H H 1 7.456 0.02 . 1 . . . . 93 ALA H . 16930 1 434 . 1 1 93 93 ALA C C 13 172.446 0.2 . 1 . . . . 93 ALA C . 16930 1 435 . 1 1 93 93 ALA CA C 13 55.049 0.2 . 1 . . . . 93 ALA CA . 16930 1 436 . 1 1 93 93 ALA CB C 13 18.234 0.2 . 1 . . . . 93 ALA CB . 16930 1 437 . 1 1 93 93 ALA N N 15 122.629 0.2 . 1 . . . . 93 ALA N . 16930 1 438 . 1 1 94 94 HIS H H 1 8.905 0.02 . 1 . . . . 94 HIS H . 16930 1 439 . 1 1 94 94 HIS C C 13 172.166 0.2 . 1 . . . . 94 HIS C . 16930 1 440 . 1 1 94 94 HIS CA C 13 57.300 0.2 . 1 . . . . 94 HIS CA . 16930 1 441 . 1 1 94 94 HIS CB C 13 33.991 0.2 . 1 . . . . 94 HIS CB . 16930 1 442 . 1 1 94 94 HIS N N 15 119.871 0.2 . 1 . . . . 94 HIS N . 16930 1 443 . 1 1 95 95 LYS H H 1 8.547 0.02 . 1 . . . . 95 LYS H . 16930 1 444 . 1 1 95 95 LYS C C 13 172.537 0.2 . 1 . . . . 95 LYS C . 16930 1 445 . 1 1 95 95 LYS CA C 13 60.083 0.2 . 1 . . . . 95 LYS CA . 16930 1 446 . 1 1 95 95 LYS CB C 13 32.057 0.2 . 1 . . . . 95 LYS CB . 16930 1 447 . 1 1 95 95 LYS N N 15 122.085 0.2 . 1 . . . . 95 LYS N . 16930 1 448 . 1 1 96 96 ASN H H 1 8.012 0.02 . 1 . . . . 96 ASN H . 16930 1 449 . 1 1 96 96 ASN C C 13 175.153 0.2 . 1 . . . . 96 ASN C . 16930 1 450 . 1 1 96 96 ASN CA C 13 54.650 0.2 . 1 . . . . 96 ASN CA . 16930 1 451 . 1 1 96 96 ASN CB C 13 37.711 0.2 . 1 . . . . 96 ASN CB . 16930 1 452 . 1 1 96 96 ASN N N 15 117.875 0.2 . 1 . . . . 96 ASN N . 16930 1 453 . 1 1 97 97 CYS H H 1 7.656 0.02 . 1 . . . . 97 CYS H . 16930 1 454 . 1 1 97 97 CYS C C 13 175.783 0.2 . 1 . . . . 97 CYS C . 16930 1 455 . 1 1 97 97 CYS CA C 13 62.386 0.2 . 1 . . . . 97 CYS CA . 16930 1 456 . 1 1 97 97 CYS CB C 13 26.936 0.2 . 1 . . . . 97 CYS CB . 16930 1 457 . 1 1 97 97 CYS N N 15 116.836 0.2 . 1 . . . . 97 CYS N . 16930 1 458 . 1 1 98 98 GLY H H 1 7.871 0.02 . 1 . . . . 98 GLY H . 16930 1 459 . 1 1 98 98 GLY C C 13 176.669 0.2 . 1 . . . . 98 GLY C . 16930 1 460 . 1 1 98 98 GLY CA C 13 47.221 0.2 . 1 . . . . 98 GLY CA . 16930 1 461 . 1 1 98 98 GLY N N 15 108.704 0.2 . 1 . . . . 98 GLY N . 16930 1 462 . 1 1 99 99 GLN H H 1 8.936 0.02 . 1 . . . . 99 GLN H . 16930 1 463 . 1 1 99 99 GLN C C 13 177.088 0.2 . 1 . . . . 99 GLN C . 16930 1 464 . 1 1 99 99 GLN CA C 13 54.330 0.2 . 1 . . . . 99 GLN CA . 16930 1 465 . 1 1 99 99 GLN CB C 13 27.796 0.2 . 1 . . . . 99 GLN CB . 16930 1 466 . 1 1 99 99 GLN N N 15 124.835 0.2 . 1 . . . . 99 GLN N . 16930 1 467 . 1 1 100 100 MET H H 1 7.358 0.02 . 1 . . . . 100 MET H . 16930 1 468 . 1 1 100 100 MET C C 13 176.211 0.2 . 1 . . . . 100 MET C . 16930 1 469 . 1 1 100 100 MET CA C 13 57.319 0.2 . 1 . . . . 100 MET CA . 16930 1 470 . 1 1 100 100 MET CB C 13 35.098 0.2 . 1 . . . . 100 MET CB . 16930 1 471 . 1 1 100 100 MET N N 15 121.224 0.2 . 1 . . . . 100 MET N . 16930 1 472 . 1 1 101 101 SER H H 1 8.996 0.02 . 1 . . . . 101 SER H . 16930 1 473 . 1 1 101 101 SER C C 13 178.585 0.2 . 1 . . . . 101 SER C . 16930 1 474 . 1 1 101 101 SER CA C 13 58.030 0.2 . 1 . . . . 101 SER CA . 16930 1 475 . 1 1 101 101 SER CB C 13 65.364 0.2 . 1 . . . . 101 SER CB . 16930 1 476 . 1 1 101 101 SER N N 15 122.223 0.2 . 1 . . . . 101 SER N . 16930 1 477 . 1 1 102 102 GLU H H 1 8.846 0.02 . 1 . . . . 102 GLU H . 16930 1 478 . 1 1 102 102 GLU C C 13 174.082 0.2 . 1 . . . . 102 GLU C . 16930 1 479 . 1 1 102 102 GLU CA C 13 60.024 0.2 . 1 . . . . 102 GLU CA . 16930 1 480 . 1 1 102 102 GLU CB C 13 29.501 0.2 . 1 . . . . 102 GLU CB . 16930 1 481 . 1 1 102 102 GLU N N 15 121.266 0.2 . 1 . . . . 102 GLU N . 16930 1 482 . 1 1 103 103 ILE H H 1 7.576 0.02 . 1 . . . . 103 ILE H . 16930 1 483 . 1 1 103 103 ILE C C 13 175.161 0.2 . 1 . . . . 103 ILE C . 16930 1 484 . 1 1 103 103 ILE CA C 13 63.999 0.2 . 1 . . . . 103 ILE CA . 16930 1 485 . 1 1 103 103 ILE CB C 13 37.542 0.2 . 1 . . . . 103 ILE CB . 16930 1 486 . 1 1 103 103 ILE N N 15 116.222 0.2 . 1 . . . . 103 ILE N . 16930 1 487 . 1 1 104 104 GLU H H 1 7.563 0.02 . 1 . . . . 104 GLU H . 16930 1 488 . 1 1 104 104 GLU C C 13 173.802 0.2 . 1 . . . . 104 GLU C . 16930 1 489 . 1 1 104 104 GLU CA C 13 59.180 0.2 . 1 . . . . 104 GLU CA . 16930 1 490 . 1 1 104 104 GLU CB C 13 28.643 0.2 . 1 . . . . 104 GLU CB . 16930 1 491 . 1 1 104 104 GLU N N 15 120.469 0.2 . 1 . . . . 104 GLU N . 16930 1 492 . 1 1 105 105 ALA H H 1 8.247 0.02 . 1 . . . . 105 ALA H . 16930 1 493 . 1 1 105 105 ALA C C 13 172.979 0.2 . 1 . . . . 105 ALA C . 16930 1 494 . 1 1 105 105 ALA CA C 13 55.605 0.2 . 1 . . . . 105 ALA CA . 16930 1 495 . 1 1 105 105 ALA CB C 13 18.428 0.2 . 1 . . . . 105 ALA CB . 16930 1 496 . 1 1 105 105 ALA N N 15 120.885 0.2 . 1 . . . . 105 ALA N . 16930 1 497 . 1 1 106 106 LYS H H 1 7.823 0.02 . 1 . . . . 106 LYS H . 16930 1 498 . 1 1 106 106 LYS C C 13 173.610 0.2 . 1 . . . . 106 LYS C . 16930 1 499 . 1 1 106 106 LYS CA C 13 60.796 0.2 . 1 . . . . 106 LYS CA . 16930 1 500 . 1 1 106 106 LYS CB C 13 33.449 0.2 . 1 . . . . 106 LYS CB . 16930 1 501 . 1 1 106 106 LYS N N 15 118.340 0.2 . 1 . . . . 106 LYS N . 16930 1 502 . 1 1 107 107 VAL H H 1 8.195 0.02 . 1 . . . . 107 VAL H . 16930 1 503 . 1 1 107 107 VAL C C 13 173.720 0.2 . 1 . . . . 107 VAL C . 16930 1 504 . 1 1 107 107 VAL CA C 13 67.211 0.2 . 1 . . . . 107 VAL CA . 16930 1 505 . 1 1 107 107 VAL CB C 13 31.315 0.2 . 1 . . . . 107 VAL CB . 16930 1 506 . 1 1 107 107 VAL N N 15 119.138 0.2 . 1 . . . . 107 VAL N . 16930 1 507 . 1 1 108 108 ARG H H 1 8.313 0.02 . 1 . . . . 108 ARG H . 16930 1 508 . 1 1 108 108 ARG C C 13 173.319 0.2 . 1 . . . . 108 ARG C . 16930 1 509 . 1 1 108 108 ARG CA C 13 59.191 0.2 . 1 . . . . 108 ARG CA . 16930 1 510 . 1 1 108 108 ARG CB C 13 28.942 0.2 . 1 . . . . 108 ARG CB . 16930 1 511 . 1 1 108 108 ARG N N 15 117.629 0.2 . 1 . . . . 108 ARG N . 16930 1 512 . 1 1 109 109 TYR H H 1 8.273 0.02 . 1 . . . . 109 TYR H . 16930 1 513 . 1 1 109 109 TYR C C 13 173.806 0.2 . 1 . . . . 109 TYR C . 16930 1 514 . 1 1 109 109 TYR CA C 13 62.328 0.2 . 1 . . . . 109 TYR CA . 16930 1 515 . 1 1 109 109 TYR CB C 13 39.774 0.2 . 1 . . . . 109 TYR CB . 16930 1 516 . 1 1 109 109 TYR N N 15 122.752 0.2 . 1 . . . . 109 TYR N . 16930 1 517 . 1 1 110 110 VAL H H 1 8.469 0.02 . 1 . . . . 110 VAL H . 16930 1 518 . 1 1 110 110 VAL C C 13 173.582 0.2 . 1 . . . . 110 VAL C . 16930 1 519 . 1 1 110 110 VAL CA C 13 67.470 0.2 . 1 . . . . 110 VAL CA . 16930 1 520 . 1 1 110 110 VAL CB C 13 31.766 0.2 . 1 . . . . 110 VAL CB . 16930 1 521 . 1 1 110 110 VAL N N 15 117.956 0.2 . 1 . . . . 110 VAL N . 16930 1 522 . 1 1 111 111 LYS H H 1 8.808 0.02 . 1 . . . . 111 LYS H . 16930 1 523 . 1 1 111 111 LYS C C 13 172.288 0.2 . 1 . . . . 111 LYS C . 16930 1 524 . 1 1 111 111 LYS CA C 13 60.595 0.2 . 1 . . . . 111 LYS CA . 16930 1 525 . 1 1 111 111 LYS CB C 13 32.554 0.2 . 1 . . . . 111 LYS CB . 16930 1 526 . 1 1 111 111 LYS N N 15 119.087 0.2 . 1 . . . . 111 LYS N . 16930 1 527 . 1 1 112 112 LEU H H 1 8.291 0.02 . 1 . . . . 112 LEU H . 16930 1 528 . 1 1 112 112 LEU C C 13 172.204 0.2 . 1 . . . . 112 LEU C . 16930 1 529 . 1 1 112 112 LEU CA C 13 57.630 0.2 . 1 . . . . 112 LEU CA . 16930 1 530 . 1 1 112 112 LEU CB C 13 40.460 0.2 . 1 . . . . 112 LEU CB . 16930 1 531 . 1 1 112 112 LEU N N 15 122.202 0.2 . 1 . . . . 112 LEU N . 16930 1 532 . 1 1 113 113 ALA H H 1 8.688 0.02 . 1 . . . . 113 ALA H . 16930 1 533 . 1 1 113 113 ALA C C 13 172.066 0.2 . 1 . . . . 113 ALA C . 16930 1 534 . 1 1 113 113 ALA CA C 13 56.578 0.2 . 1 . . . . 113 ALA CA . 16930 1 535 . 1 1 113 113 ALA CB C 13 17.747 0.2 . 1 . . . . 113 ALA CB . 16930 1 536 . 1 1 113 113 ALA N N 15 122.525 0.2 . 1 . . . . 113 ALA N . 16930 1 537 . 1 1 114 114 ARG H H 1 8.383 0.02 . 1 . . . . 114 ARG H . 16930 1 538 . 1 1 114 114 ARG C C 13 173.189 0.2 . 1 . . . . 114 ARG C . 16930 1 539 . 1 1 114 114 ARG CA C 13 58.763 0.2 . 1 . . . . 114 ARG CA . 16930 1 540 . 1 1 114 114 ARG CB C 13 30.027 0.2 . 1 . . . . 114 ARG CB . 16930 1 541 . 1 1 114 114 ARG N N 15 116.146 0.2 . 1 . . . . 114 ARG N . 16930 1 542 . 1 1 115 115 SER H H 1 8.006 0.02 . 1 . . . . 115 SER H . 16930 1 543 . 1 1 115 115 SER C C 13 176.854 0.2 . 1 . . . . 115 SER C . 16930 1 544 . 1 1 115 115 SER CA C 13 60.720 0.2 . 1 . . . . 115 SER CA . 16930 1 545 . 1 1 115 115 SER CB C 13 63.368 0.2 . 1 . . . . 115 SER CB . 16930 1 546 . 1 1 115 115 SER N N 15 115.029 0.2 . 1 . . . . 115 SER N . 16930 1 547 . 1 1 116 116 LEU H H 1 7.514 0.02 . 1 . . . . 116 LEU H . 16930 1 548 . 1 1 116 116 LEU C C 13 174.247 0.2 . 1 . . . . 116 LEU C . 16930 1 549 . 1 1 116 116 LEU CA C 13 55.427 0.2 . 1 . . . . 116 LEU CA . 16930 1 550 . 1 1 116 116 LEU CB C 13 42.049 0.2 . 1 . . . . 116 LEU CB . 16930 1 551 . 1 1 116 116 LEU N N 15 121.598 0.2 . 1 . . . . 116 LEU N . 16930 1 552 . 1 1 117 117 LYS H H 1 7.716 0.02 . 1 . . . . 117 LYS H . 16930 1 553 . 1 1 117 117 LYS C C 13 175.598 0.2 . 1 . . . . 117 LYS C . 16930 1 554 . 1 1 117 117 LYS CA C 13 56.597 0.2 . 1 . . . . 117 LYS CA . 16930 1 555 . 1 1 117 117 LYS CB C 13 32.884 0.2 . 1 . . . . 117 LYS CB . 16930 1 556 . 1 1 117 117 LYS N N 15 120.994 0.2 . 1 . . . . 117 LYS N . 16930 1 557 . 1 1 118 118 THR H H 1 7.853 0.02 . 1 . . . . 118 THR H . 16930 1 558 . 1 1 118 118 THR C C 13 177.970 0.2 . 1 . . . . 118 THR C . 16930 1 559 . 1 1 118 118 THR CA C 13 62.249 0.2 . 1 . . . . 118 THR CA . 16930 1 560 . 1 1 118 118 THR CB C 13 69.777 0.2 . 1 . . . . 118 THR CB . 16930 1 561 . 1 1 118 118 THR N N 15 114.165 0.2 . 1 . . . . 118 THR N . 16930 1 562 . 1 1 119 119 TYR H H 1 8.099 0.02 . 1 . . . . 119 TYR H . 16930 1 563 . 1 1 119 119 TYR C C 13 176.880 0.2 . 1 . . . . 119 TYR C . 16930 1 564 . 1 1 119 119 TYR CA C 13 57.926 0.2 . 1 . . . . 119 TYR CA . 16930 1 565 . 1 1 119 119 TYR CB C 13 39.044 0.2 . 1 . . . . 119 TYR CB . 16930 1 566 . 1 1 119 119 TYR N N 15 121.973 0.2 . 1 . . . . 119 TYR N . 16930 1 567 . 1 1 120 120 GLY H H 1 7.794 0.02 . 1 . . . . 120 GLY H . 16930 1 568 . 1 1 120 120 GLY CA C 13 46.134 0.2 . 1 . . . . 120 GLY CA . 16930 1 569 . 1 1 120 120 GLY N N 15 116.433 0.2 . 1 . . . . 120 GLY N . 16930 1 stop_ save_