data_17350 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17350 _Entry.Title ; SOLUTION STRUCTURE OF THE R2 DOMAIN OF TALIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-07 _Entry.Accession_date 2010-12-07 _Entry.Last_release_date 2013-02-04 _Entry.Original_release_date 2013-02-04 _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 Benjamin Goult . T. . 17350 2 Alexandre Gingras . R. . 17350 3 Neil Bate . . . 17350 4 Gordon Roberts . C.K. . 17350 5 Igor Barsukov . L. . 17350 6 David Critchley . R. . 17350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 17350 '15N chemical shifts' 131 17350 '1H chemical shifts' 131 17350 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 . . 2013-02-04 2010-12-07 original author . 17350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SJ8 'Structure of the VBS1-VBS2A domains of talin' 17350 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17350 _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 'RIAM and vinculin binding to talin are mutually exclusive and regulate adhesion assembly and turnover' _Citation.Status accepted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Benjamin Goult . T. . 17350 1 2 Tom Zacharchenko . . . 17350 1 3 Neil Bate . . . 17350 1 4 Ricky Tsang . . . 17350 1 5 Fiona Hey . . . 17350 1 6 Alexandre Gingras . R. . 17350 1 7 Paul Elliott . R. . 17350 1 8 Gordon Roberts . CK . 17350 1 9 Christoph Ballestrem . . . 17350 1 10 David Critchley . R. . 17350 1 11 Igor Barsukov . L. . 17350 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bundle 17350 1 'focal adhesion' 17350 1 riam 17350 1 talin 17350 1 vinculin 17350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17350 _Assembly.ID 1 _Assembly.Name vbs2a _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 14027 _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 vbs2a 1 $vbs2a A . yes native no no . . . 17350 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1SJ8 . . X-ray . . . 17350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_vbs2a _Entity.Sf_category entity _Entity.Sf_framecode vbs2a _Entity.Entry_ID 17350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name vbs2a _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 ; GIDPFTIGESDTDPHFQDVL MQLANAVASAAAALVLKAKS VAQRTEDSGLQTQVIAAATQ CALSTSQLVACTKVVAPTIS SPVCQEQLVEAGRLVAKAVE GCVSASQAATEDGQLLRGVG AAATAVTQALNELLQHVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 (residues 649-654) 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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SJ8 . "Crystal Structure Of Talin Residues 482-789" . . . . . 95.65 308 100.00 100.00 1.09e-81 . . . . 17350 1 2 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 95.65 2541 98.48 98.48 1.76e-73 . . . . 17350 1 3 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 95.65 2564 99.24 99.24 4.04e-74 . . . . 17350 1 4 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 95.65 2541 99.24 99.24 3.68e-74 . . . . 17350 1 5 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 95.65 2541 98.48 98.48 1.76e-73 . . . . 17350 1 6 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 95.65 2541 100.00 100.00 5.26e-75 . . . . 17350 1 7 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 95.65 2541 98.48 98.48 1.40e-73 . . . . 17350 1 8 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 95.65 2541 98.48 98.48 1.75e-73 . . . . 17350 1 9 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 95.65 2540 98.48 98.48 1.76e-73 . . . . 17350 1 10 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 95.65 2541 98.48 98.48 1.71e-73 . . . . 17350 1 11 no GB AAI50811 . "Talin 1 [Mus musculus]" . . . . . 95.65 2541 99.24 99.24 4.05e-74 . . . . 17350 1 12 no PRF 1617167A . talin . . . . . 95.65 2541 100.00 100.00 5.26e-75 . . . . 17350 1 13 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 95.65 2541 98.48 99.24 5.42e-74 . . . . 17350 1 14 no REF NP_001192357 . "talin-1 [Bos taurus]" . . . . . 95.65 2541 97.73 98.48 7.97e-73 . . . . 17350 1 15 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 95.65 2541 98.48 98.48 1.76e-73 . . . . 17350 1 16 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 95.65 2541 99.24 99.24 4.05e-74 . . . . 17350 1 17 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 95.65 2428 99.24 99.24 3.92e-74 . . . . 17350 1 18 no SP P26039 . "RecName: Full=Talin-1" . . . . . 95.65 2541 99.24 99.24 4.05e-74 . . . . 17350 1 19 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 95.65 2541 98.48 98.48 1.76e-73 . . . . 17350 1 20 no TPG DAA26829 . "TPA: talin 1 [Bos taurus]" . . . . . 95.65 2541 97.73 98.48 8.05e-73 . . . . 17350 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 . 17350 1 2 . ILE . 17350 1 3 . ASP . 17350 1 4 . PRO . 17350 1 5 . PHE . 17350 1 6 . THR . 17350 1 7 . ILE . 17350 1 8 . GLY . 17350 1 9 . GLU . 17350 1 10 . SER . 17350 1 11 . ASP . 17350 1 12 . THR . 17350 1 13 . ASP . 17350 1 14 . PRO . 17350 1 15 . HIS . 17350 1 16 . PHE . 17350 1 17 . GLN . 17350 1 18 . ASP . 17350 1 19 . VAL . 17350 1 20 . LEU . 17350 1 21 . MET . 17350 1 22 . GLN . 17350 1 23 . LEU . 17350 1 24 . ALA . 17350 1 25 . ASN . 17350 1 26 . ALA . 17350 1 27 . VAL . 17350 1 28 . ALA . 17350 1 29 . SER . 17350 1 30 . ALA . 17350 1 31 . ALA . 17350 1 32 . ALA . 17350 1 33 . ALA . 17350 1 34 . LEU . 17350 1 35 . VAL . 17350 1 36 . LEU . 17350 1 37 . LYS . 17350 1 38 . ALA . 17350 1 39 . LYS . 17350 1 40 . SER . 17350 1 41 . VAL . 17350 1 42 . ALA . 17350 1 43 . GLN . 17350 1 44 . ARG . 17350 1 45 . THR . 17350 1 46 . GLU . 17350 1 47 . ASP . 17350 1 48 . SER . 17350 1 49 . GLY . 17350 1 50 . LEU . 17350 1 51 . GLN . 17350 1 52 . THR . 17350 1 53 . GLN . 17350 1 54 . VAL . 17350 1 55 . ILE . 17350 1 56 . ALA . 17350 1 57 . ALA . 17350 1 58 . ALA . 17350 1 59 . THR . 17350 1 60 . GLN . 17350 1 61 . CYS . 17350 1 62 . ALA . 17350 1 63 . LEU . 17350 1 64 . SER . 17350 1 65 . THR . 17350 1 66 . SER . 17350 1 67 . GLN . 17350 1 68 . LEU . 17350 1 69 . VAL . 17350 1 70 . ALA . 17350 1 71 . CYS . 17350 1 72 . THR . 17350 1 73 . LYS . 17350 1 74 . VAL . 17350 1 75 . VAL . 17350 1 76 . ALA . 17350 1 77 . PRO . 17350 1 78 . THR . 17350 1 79 . ILE . 17350 1 80 . SER . 17350 1 81 . SER . 17350 1 82 . PRO . 17350 1 83 . VAL . 17350 1 84 . CYS . 17350 1 85 . GLN . 17350 1 86 . GLU . 17350 1 87 . GLN . 17350 1 88 . LEU . 17350 1 89 . VAL . 17350 1 90 . GLU . 17350 1 91 . ALA . 17350 1 92 . GLY . 17350 1 93 . ARG . 17350 1 94 . LEU . 17350 1 95 . VAL . 17350 1 96 . ALA . 17350 1 97 . LYS . 17350 1 98 . ALA . 17350 1 99 . VAL . 17350 1 100 . GLU . 17350 1 101 . GLY . 17350 1 102 . CYS . 17350 1 103 . VAL . 17350 1 104 . SER . 17350 1 105 . ALA . 17350 1 106 . SER . 17350 1 107 . GLN . 17350 1 108 . ALA . 17350 1 109 . ALA . 17350 1 110 . THR . 17350 1 111 . GLU . 17350 1 112 . ASP . 17350 1 113 . GLY . 17350 1 114 . GLN . 17350 1 115 . LEU . 17350 1 116 . LEU . 17350 1 117 . ARG . 17350 1 118 . GLY . 17350 1 119 . VAL . 17350 1 120 . GLY . 17350 1 121 . ALA . 17350 1 122 . ALA . 17350 1 123 . ALA . 17350 1 124 . THR . 17350 1 125 . ALA . 17350 1 126 . VAL . 17350 1 127 . THR . 17350 1 128 . GLN . 17350 1 129 . ALA . 17350 1 130 . LEU . 17350 1 131 . ASN . 17350 1 132 . GLU . 17350 1 133 . LEU . 17350 1 134 . LEU . 17350 1 135 . GLN . 17350 1 136 . HIS . 17350 1 137 . VAL . 17350 1 138 . LYS . 17350 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 17350 1 . ILE 2 2 17350 1 . ASP 3 3 17350 1 . PRO 4 4 17350 1 . PHE 5 5 17350 1 . THR 6 6 17350 1 . ILE 7 7 17350 1 . GLY 8 8 17350 1 . GLU 9 9 17350 1 . SER 10 10 17350 1 . ASP 11 11 17350 1 . THR 12 12 17350 1 . ASP 13 13 17350 1 . PRO 14 14 17350 1 . HIS 15 15 17350 1 . PHE 16 16 17350 1 . GLN 17 17 17350 1 . ASP 18 18 17350 1 . VAL 19 19 17350 1 . LEU 20 20 17350 1 . MET 21 21 17350 1 . GLN 22 22 17350 1 . LEU 23 23 17350 1 . ALA 24 24 17350 1 . ASN 25 25 17350 1 . ALA 26 26 17350 1 . VAL 27 27 17350 1 . ALA 28 28 17350 1 . SER 29 29 17350 1 . ALA 30 30 17350 1 . ALA 31 31 17350 1 . ALA 32 32 17350 1 . ALA 33 33 17350 1 . LEU 34 34 17350 1 . VAL 35 35 17350 1 . LEU 36 36 17350 1 . LYS 37 37 17350 1 . ALA 38 38 17350 1 . LYS 39 39 17350 1 . SER 40 40 17350 1 . VAL 41 41 17350 1 . ALA 42 42 17350 1 . GLN 43 43 17350 1 . ARG 44 44 17350 1 . THR 45 45 17350 1 . GLU 46 46 17350 1 . ASP 47 47 17350 1 . SER 48 48 17350 1 . GLY 49 49 17350 1 . LEU 50 50 17350 1 . GLN 51 51 17350 1 . THR 52 52 17350 1 . GLN 53 53 17350 1 . VAL 54 54 17350 1 . ILE 55 55 17350 1 . ALA 56 56 17350 1 . ALA 57 57 17350 1 . ALA 58 58 17350 1 . THR 59 59 17350 1 . GLN 60 60 17350 1 . CYS 61 61 17350 1 . ALA 62 62 17350 1 . LEU 63 63 17350 1 . SER 64 64 17350 1 . THR 65 65 17350 1 . SER 66 66 17350 1 . GLN 67 67 17350 1 . LEU 68 68 17350 1 . VAL 69 69 17350 1 . ALA 70 70 17350 1 . CYS 71 71 17350 1 . THR 72 72 17350 1 . LYS 73 73 17350 1 . VAL 74 74 17350 1 . VAL 75 75 17350 1 . ALA 76 76 17350 1 . PRO 77 77 17350 1 . THR 78 78 17350 1 . ILE 79 79 17350 1 . SER 80 80 17350 1 . SER 81 81 17350 1 . PRO 82 82 17350 1 . VAL 83 83 17350 1 . CYS 84 84 17350 1 . GLN 85 85 17350 1 . GLU 86 86 17350 1 . GLN 87 87 17350 1 . LEU 88 88 17350 1 . VAL 89 89 17350 1 . GLU 90 90 17350 1 . ALA 91 91 17350 1 . GLY 92 92 17350 1 . ARG 93 93 17350 1 . LEU 94 94 17350 1 . VAL 95 95 17350 1 . ALA 96 96 17350 1 . LYS 97 97 17350 1 . ALA 98 98 17350 1 . VAL 99 99 17350 1 . GLU 100 100 17350 1 . GLY 101 101 17350 1 . CYS 102 102 17350 1 . VAL 103 103 17350 1 . SER 104 104 17350 1 . ALA 105 105 17350 1 . SER 106 106 17350 1 . GLN 107 107 17350 1 . ALA 108 108 17350 1 . ALA 109 109 17350 1 . THR 110 110 17350 1 . GLU 111 111 17350 1 . ASP 112 112 17350 1 . GLY 113 113 17350 1 . GLN 114 114 17350 1 . LEU 115 115 17350 1 . LEU 116 116 17350 1 . ARG 117 117 17350 1 . GLY 118 118 17350 1 . VAL 119 119 17350 1 . GLY 120 120 17350 1 . ALA 121 121 17350 1 . ALA 122 122 17350 1 . ALA 123 123 17350 1 . THR 124 124 17350 1 . ALA 125 125 17350 1 . VAL 126 126 17350 1 . THR 127 127 17350 1 . GLN 128 128 17350 1 . ALA 129 129 17350 1 . LEU 130 130 17350 1 . ASN 131 131 17350 1 . GLU 132 132 17350 1 . LEU 133 133 17350 1 . LEU 134 134 17350 1 . GLN 135 135 17350 1 . HIS 136 136 17350 1 . VAL 137 137 17350 1 . LYS 138 138 17350 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 17350 _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 $vbs2a . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17350 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 17350 _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 $vbs2a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) * . . . . . . . . . . . . . . pet151TOPO . . . . . . 17350 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17350 _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 vbs2a '[U-100% 13C; U-100% 15N]' . . 1 $vbs2a . . 1 . . mM 0.05 . . . 17350 1 2 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 17350 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 17350 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.05 . . . 17350 1 5 D2O 'natural abundance' . . . . . . 10 . . % 0.1 . . . 17350 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17350 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 17350 _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 0.1 mM 17350 1 pH 6.5 0.1 pH 17350 1 pressure 1 . atm 17350 1 temperature 298 0.1 K 17350 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17350 _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' . . 17350 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17350 1 processing 17350 1 stop_ save_ save_CCPNAnalysis _Software.Sf_category software _Software.Sf_framecode CCPNAnalysis _Software.Entry_ID 17350 _Software.ID 2 _Software.Name CCPNAnalysis _Software.Version 1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17350 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17350 2 'data analysis' 17350 2 'peak picking' 17350 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17350 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17350 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle prediction' 17350 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17350 _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 17350 _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 . . . 17350 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 17350 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17350 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17350 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17350 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17350 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17350 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17350 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 17350 _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' . . . 17350 1 2 '3D HNCO' . . . 17350 1 3 '3D CBCA(CO)NH' . . . 17350 1 4 '3D HNCA' . . . 17350 1 5 '3D HNCACB' . . . 17350 1 6 '3D HN(CO)CA' . . . 17350 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 13 175.696 0.20 . 1 . . . . 2 ILE C . 17350 1 2 . 1 1 2 2 ILE CA C 13 61.064 0.20 . 1 . . . . 2 ILE CA . 17350 1 3 . 1 1 2 2 ILE CB C 13 38.986 0.20 . 1 . . . . 2 ILE CB . 17350 1 4 . 1 1 3 3 ASP H H 1 8.369 0.02 . 1 . . . . 3 ASP H . 17350 1 5 . 1 1 3 3 ASP CA C 13 52.163 0.20 . 1 . . . . 3 ASP CA . 17350 1 6 . 1 1 3 3 ASP CB C 13 41.214 0.20 . 1 . . . . 3 ASP CB . 17350 1 7 . 1 1 3 3 ASP N N 15 126.084 0.2 . 1 . . . . 3 ASP N . 17350 1 8 . 1 1 4 4 PRO C C 13 176.771 0.20 . 1 . . . . 4 PRO C . 17350 1 9 . 1 1 4 4 PRO CA C 13 63.619 0.20 . 1 . . . . 4 PRO CA . 17350 1 10 . 1 1 4 4 PRO CB C 13 31.908 0.20 . 1 . . . . 4 PRO CB . 17350 1 11 . 1 1 5 5 PHE H H 1 8.150 0.02 . 1 . . . . 5 PHE H . 17350 1 12 . 1 1 5 5 PHE C C 13 175.936 0.20 . 1 . . . . 5 PHE C . 17350 1 13 . 1 1 5 5 PHE CA C 13 57.960 0.20 . 1 . . . . 5 PHE CA . 17350 1 14 . 1 1 5 5 PHE CB C 13 38.953 0.20 . 1 . . . . 5 PHE CB . 17350 1 15 . 1 1 5 5 PHE N N 15 118.409 0.2 . 1 . . . . 5 PHE N . 17350 1 16 . 1 1 6 6 THR H H 1 7.827 0.02 . 1 . . . . 6 THR H . 17350 1 17 . 1 1 6 6 THR C C 13 174.101 0.20 . 1 . . . . 6 THR C . 17350 1 18 . 1 1 6 6 THR CA C 13 62.009 0.20 . 1 . . . . 6 THR CA . 17350 1 19 . 1 1 6 6 THR CB C 13 70.062 0.20 . 1 . . . . 6 THR CB . 17350 1 20 . 1 1 6 6 THR N N 15 115.387 0.2 . 1 . . . . 6 THR N . 17350 1 21 . 1 1 7 7 ILE H H 1 8.037 0.02 . 1 . . . . 7 ILE H . 17350 1 22 . 1 1 7 7 ILE C C 13 176.468 0.20 . 1 . . . . 7 ILE C . 17350 1 23 . 1 1 7 7 ILE CA C 13 61.498 0.20 . 1 . . . . 7 ILE CA . 17350 1 24 . 1 1 7 7 ILE CB C 13 38.667 0.20 . 1 . . . . 7 ILE CB . 17350 1 25 . 1 1 7 7 ILE N N 15 123.494 0.2 . 1 . . . . 7 ILE N . 17350 1 26 . 1 1 8 8 GLY H H 1 8.401 0.02 . 1 . . . . 8 GLY H . 17350 1 27 . 1 1 8 8 GLY C C 13 174.027 0.20 . 1 . . . . 8 GLY C . 17350 1 28 . 1 1 8 8 GLY CA C 13 45.142 0.20 . 1 . . . . 8 GLY CA . 17350 1 29 . 1 1 8 8 GLY N N 15 112.872 0.2 . 1 . . . . 8 GLY N . 17350 1 30 . 1 1 9 9 GLU H H 1 8.218 0.02 . 1 . . . . 9 GLU H . 17350 1 31 . 1 1 9 9 GLU C C 13 176.656 0.20 . 1 . . . . 9 GLU C . 17350 1 32 . 1 1 9 9 GLU CA C 13 56.650 0.20 . 1 . . . . 9 GLU CA . 17350 1 33 . 1 1 9 9 GLU CB C 13 30.372 0.20 . 1 . . . . 9 GLU CB . 17350 1 34 . 1 1 9 9 GLU N N 15 120.607 0.2 . 1 . . . . 9 GLU N . 17350 1 35 . 1 1 10 10 SER H H 1 8.317 0.02 . 1 . . . . 10 SER H . 17350 1 36 . 1 1 10 10 SER C C 13 174.299 0.20 . 1 . . . . 10 SER C . 17350 1 37 . 1 1 10 10 SER CA C 13 58.435 0.20 . 1 . . . . 10 SER CA . 17350 1 38 . 1 1 10 10 SER CB C 13 63.952 0.20 . 1 . . . . 10 SER CB . 17350 1 39 . 1 1 10 10 SER N N 15 116.124 0.2 . 1 . . . . 10 SER N . 17350 1 40 . 1 1 11 11 ASP H H 1 8.289 0.02 . 1 . . . . 11 ASP H . 17350 1 41 . 1 1 11 11 ASP C C 13 176.364 0.20 . 1 . . . . 11 ASP C . 17350 1 42 . 1 1 11 11 ASP CA C 13 54.617 0.20 . 1 . . . . 11 ASP CA . 17350 1 43 . 1 1 11 11 ASP CB C 13 41.065 0.20 . 1 . . . . 11 ASP CB . 17350 1 44 . 1 1 11 11 ASP N N 15 122.207 0.2 . 1 . . . . 11 ASP N . 17350 1 45 . 1 1 12 12 THR H H 1 8.005 0.02 . 1 . . . . 12 THR H . 17350 1 46 . 1 1 12 12 THR C C 13 174.208 0.20 . 1 . . . . 12 THR C . 17350 1 47 . 1 1 12 12 THR CA C 13 61.913 0.20 . 1 . . . . 12 THR CA . 17350 1 48 . 1 1 12 12 THR CB C 13 70.054 0.20 . 1 . . . . 12 THR CB . 17350 1 49 . 1 1 12 12 THR N N 15 113.649 0.2 . 1 . . . . 12 THR N . 17350 1 50 . 1 1 13 13 ASP H H 1 8.395 0.02 . 1 . . . . 13 ASP H . 17350 1 51 . 1 1 13 13 ASP CA C 13 52.445 0.20 . 1 . . . . 13 ASP CA . 17350 1 52 . 1 1 13 13 ASP CB C 13 41.835 0.20 . 1 . . . . 13 ASP CB . 17350 1 53 . 1 1 13 13 ASP N N 15 125.440 0.2 . 1 . . . . 13 ASP N . 17350 1 54 . 1 1 14 14 PRO C C 13 177.944 0.20 . 1 . . . . 14 PRO C . 17350 1 55 . 1 1 14 14 PRO CA C 13 64.532 0.20 . 1 . . . . 14 PRO CA . 17350 1 56 . 1 1 14 14 PRO CB C 13 32.140 0.20 . 1 . . . . 14 PRO CB . 17350 1 57 . 1 1 15 15 HIS H H 1 8.591 0.02 . 1 . . . . 15 HIS H . 17350 1 58 . 1 1 15 15 HIS C C 13 176.276 0.20 . 1 . . . . 15 HIS C . 17350 1 59 . 1 1 15 15 HIS CA C 13 57.478 0.20 . 1 . . . . 15 HIS CA . 17350 1 60 . 1 1 15 15 HIS CB C 13 28.538 0.20 . 1 . . . . 15 HIS CB . 17350 1 61 . 1 1 15 15 HIS N N 15 117.326 0.2 . 1 . . . . 15 HIS N . 17350 1 62 . 1 1 16 16 PHE H H 1 8.089 0.02 . 1 . . . . 16 PHE H . 17350 1 63 . 1 1 16 16 PHE C C 13 177.385 0.20 . 1 . . . . 16 PHE C . 17350 1 64 . 1 1 16 16 PHE CA C 13 60.777 0.20 . 1 . . . . 16 PHE CA . 17350 1 65 . 1 1 16 16 PHE CB C 13 38.981 0.20 . 1 . . . . 16 PHE CB . 17350 1 66 . 1 1 16 16 PHE N N 15 121.235 0.2 . 1 . . . . 16 PHE N . 17350 1 67 . 1 1 17 17 GLN H H 1 8.217 0.02 . 1 . . . . 17 GLN H . 17350 1 68 . 1 1 17 17 GLN C C 13 176.967 0.20 . 1 . . . . 17 GLN C . 17350 1 69 . 1 1 17 17 GLN CA C 13 59.102 0.20 . 1 . . . . 17 GLN CA . 17350 1 70 . 1 1 17 17 GLN CB C 13 28.226 0.20 . 1 . . . . 17 GLN CB . 17350 1 71 . 1 1 17 17 GLN N N 15 117.749 0.2 . 1 . . . . 17 GLN N . 17350 1 72 . 1 1 18 18 ASP H H 1 7.677 0.02 . 1 . . . . 18 ASP H . 17350 1 73 . 1 1 18 18 ASP C C 13 178.502 0.20 . 1 . . . . 18 ASP C . 17350 1 74 . 1 1 18 18 ASP CA C 13 56.902 0.20 . 1 . . . . 18 ASP CA . 17350 1 75 . 1 1 18 18 ASP CB C 13 40.800 0.20 . 1 . . . . 18 ASP CB . 17350 1 76 . 1 1 18 18 ASP N N 15 119.530 0.2 . 1 . . . . 18 ASP N . 17350 1 77 . 1 1 19 19 VAL H H 1 7.776 0.02 . 1 . . . . 19 VAL H . 17350 1 78 . 1 1 19 19 VAL C C 13 177.723 0.20 . 1 . . . . 19 VAL C . 17350 1 79 . 1 1 19 19 VAL CA C 13 66.316 0.20 . 1 . . . . 19 VAL CA . 17350 1 80 . 1 1 19 19 VAL CB C 13 31.235 0.20 . 1 . . . . 19 VAL CB . 17350 1 81 . 1 1 19 19 VAL N N 15 121.903 0.2 . 1 . . . . 19 VAL N . 17350 1 82 . 1 1 20 20 LEU H H 1 7.770 0.02 . 1 . . . . 20 LEU H . 17350 1 83 . 1 1 20 20 LEU C C 13 178.700 0.20 . 1 . . . . 20 LEU C . 17350 1 84 . 1 1 20 20 LEU CA C 13 58.283 0.20 . 1 . . . . 20 LEU CA . 17350 1 85 . 1 1 20 20 LEU CB C 13 41.340 0.20 . 1 . . . . 20 LEU CB . 17350 1 86 . 1 1 20 20 LEU N N 15 118.862 0.2 . 1 . . . . 20 LEU N . 17350 1 87 . 1 1 21 21 MET H H 1 7.727 0.02 . 1 . . . . 21 MET H . 17350 1 88 . 1 1 21 21 MET C C 13 179.181 0.20 . 1 . . . . 21 MET C . 17350 1 89 . 1 1 21 21 MET CA C 13 57.253 0.20 . 1 . . . . 21 MET CA . 17350 1 90 . 1 1 21 21 MET CB C 13 30.926 0.20 . 1 . . . . 21 MET CB . 17350 1 91 . 1 1 21 21 MET N N 15 115.697 0.2 . 1 . . . . 21 MET N . 17350 1 92 . 1 1 22 22 GLN H H 1 8.162 0.02 . 1 . . . . 22 GLN H . 17350 1 93 . 1 1 22 22 GLN C C 13 180.069 0.20 . 1 . . . . 22 GLN C . 17350 1 94 . 1 1 22 22 GLN CA C 13 59.309 0.20 . 1 . . . . 22 GLN CA . 17350 1 95 . 1 1 22 22 GLN CB C 13 27.771 0.20 . 1 . . . . 22 GLN CB . 17350 1 96 . 1 1 22 22 GLN N N 15 120.857 0.2 . 1 . . . . 22 GLN N . 17350 1 97 . 1 1 23 23 LEU H H 1 8.448 0.02 . 1 . . . . 23 LEU H . 17350 1 98 . 1 1 23 23 LEU C C 13 181.002 0.20 . 1 . . . . 23 LEU C . 17350 1 99 . 1 1 23 23 LEU CA C 13 57.624 0.20 . 1 . . . . 23 LEU CA . 17350 1 100 . 1 1 23 23 LEU CB C 13 42.097 0.20 . 1 . . . . 23 LEU CB . 17350 1 101 . 1 1 23 23 LEU N N 15 121.100 0.2 . 1 . . . . 23 LEU N . 17350 1 102 . 1 1 24 24 ALA H H 1 8.691 0.02 . 1 . . . . 24 ALA H . 17350 1 103 . 1 1 24 24 ALA C C 13 179.435 0.20 . 1 . . . . 24 ALA C . 17350 1 104 . 1 1 24 24 ALA CA C 13 56.007 0.20 . 1 . . . . 24 ALA CA . 17350 1 105 . 1 1 24 24 ALA CB C 13 17.837 0.20 . 1 . . . . 24 ALA CB . 17350 1 106 . 1 1 24 24 ALA N N 15 124.716 0.2 . 1 . . . . 24 ALA N . 17350 1 107 . 1 1 25 25 ASN H H 1 8.547 0.02 . 1 . . . . 25 ASN H . 17350 1 108 . 1 1 25 25 ASN C C 13 178.047 0.20 . 1 . . . . 25 ASN C . 17350 1 109 . 1 1 25 25 ASN CA C 13 55.977 0.20 . 1 . . . . 25 ASN CA . 17350 1 110 . 1 1 25 25 ASN CB C 13 37.687 0.20 . 1 . . . . 25 ASN CB . 17350 1 111 . 1 1 25 25 ASN N N 15 117.755 0.2 . 1 . . . . 25 ASN N . 17350 1 112 . 1 1 26 26 ALA H H 1 8.006 0.02 . 1 . . . . 26 ALA H . 17350 1 113 . 1 1 26 26 ALA C C 13 181.403 0.20 . 1 . . . . 26 ALA C . 17350 1 114 . 1 1 26 26 ALA CA C 13 55.011 0.20 . 1 . . . . 26 ALA CA . 17350 1 115 . 1 1 26 26 ALA CB C 13 17.506 0.20 . 1 . . . . 26 ALA CB . 17350 1 116 . 1 1 26 26 ALA N N 15 123.646 0.2 . 1 . . . . 26 ALA N . 17350 1 117 . 1 1 27 27 VAL H H 1 7.602 0.02 . 1 . . . . 27 VAL H . 17350 1 118 . 1 1 27 27 VAL C C 13 177.430 0.20 . 1 . . . . 27 VAL C . 17350 1 119 . 1 1 27 27 VAL CA C 13 66.601 0.20 . 1 . . . . 27 VAL CA . 17350 1 120 . 1 1 27 27 VAL CB C 13 30.840 0.20 . 1 . . . . 27 VAL CB . 17350 1 121 . 1 1 27 27 VAL N N 15 119.862 0.2 . 1 . . . . 27 VAL N . 17350 1 122 . 1 1 28 28 ALA H H 1 7.795 0.02 . 1 . . . . 28 ALA H . 17350 1 123 . 1 1 28 28 ALA C C 13 180.687 0.20 . 1 . . . . 28 ALA C . 17350 1 124 . 1 1 28 28 ALA CA C 13 55.556 0.20 . 1 . . . . 28 ALA CA . 17350 1 125 . 1 1 28 28 ALA CB C 13 17.561 0.20 . 1 . . . . 28 ALA CB . 17350 1 126 . 1 1 28 28 ALA N N 15 121.434 0.2 . 1 . . . . 28 ALA N . 17350 1 127 . 1 1 29 29 SER H H 1 8.695 0.02 . 1 . . . . 29 SER H . 17350 1 128 . 1 1 29 29 SER C C 13 177.378 0.20 . 1 . . . . 29 SER C . 17350 1 129 . 1 1 29 29 SER CA C 13 61.648 0.20 . 1 . . . . 29 SER CA . 17350 1 130 . 1 1 29 29 SER CB C 13 62.458 0.20 . 1 . . . . 29 SER CB . 17350 1 131 . 1 1 29 29 SER N N 15 115.757 0.2 . 1 . . . . 29 SER N . 17350 1 132 . 1 1 30 30 ALA H H 1 7.818 0.02 . 1 . . . . 30 ALA H . 17350 1 133 . 1 1 30 30 ALA C C 13 180.986 0.20 . 1 . . . . 30 ALA C . 17350 1 134 . 1 1 30 30 ALA CA C 13 54.751 0.20 . 1 . . . . 30 ALA CA . 17350 1 135 . 1 1 30 30 ALA CB C 13 16.974 0.20 . 1 . . . . 30 ALA CB . 17350 1 136 . 1 1 30 30 ALA N N 15 125.126 0.2 . 1 . . . . 30 ALA N . 17350 1 137 . 1 1 31 31 ALA H H 1 9.188 0.02 . 1 . . . . 31 ALA H . 17350 1 138 . 1 1 31 31 ALA C C 13 178.688 0.20 . 1 . . . . 31 ALA C . 17350 1 139 . 1 1 31 31 ALA CA C 13 55.397 0.20 . 1 . . . . 31 ALA CA . 17350 1 140 . 1 1 31 31 ALA CB C 13 18.854 0.20 . 1 . . . . 31 ALA CB . 17350 1 141 . 1 1 31 31 ALA N N 15 123.918 0.2 . 1 . . . . 31 ALA N . 17350 1 142 . 1 1 32 32 ALA H H 1 8.059 0.02 . 1 . . . . 32 ALA H . 17350 1 143 . 1 1 32 32 ALA C C 13 178.416 0.20 . 1 . . . . 32 ALA C . 17350 1 144 . 1 1 32 32 ALA CA C 13 55.258 0.20 . 1 . . . . 32 ALA CA . 17350 1 145 . 1 1 32 32 ALA CB C 13 17.399 0.20 . 1 . . . . 32 ALA CB . 17350 1 146 . 1 1 32 32 ALA N N 15 120.876 0.2 . 1 . . . . 32 ALA N . 17350 1 147 . 1 1 33 33 ALA H H 1 7.197 0.02 . 1 . . . . 33 ALA H . 17350 1 148 . 1 1 33 33 ALA C C 13 180.242 0.20 . 1 . . . . 33 ALA C . 17350 1 149 . 1 1 33 33 ALA CA C 13 54.824 0.20 . 1 . . . . 33 ALA CA . 17350 1 150 . 1 1 33 33 ALA CB C 13 17.760 0.20 . 1 . . . . 33 ALA CB . 17350 1 151 . 1 1 33 33 ALA N N 15 120.008 0.2 . 1 . . . . 33 ALA N . 17350 1 152 . 1 1 34 34 LEU H H 1 7.567 0.02 . 1 . . . . 34 LEU H . 17350 1 153 . 1 1 34 34 LEU C C 13 177.421 0.20 . 1 . . . . 34 LEU C . 17350 1 154 . 1 1 34 34 LEU CA C 13 58.213 0.20 . 1 . . . . 34 LEU CA . 17350 1 155 . 1 1 34 34 LEU CB C 13 40.922 0.20 . 1 . . . . 34 LEU CB . 17350 1 156 . 1 1 34 34 LEU N N 15 120.007 0.2 . 1 . . . . 34 LEU N . 17350 1 157 . 1 1 35 35 VAL H H 1 8.642 0.02 . 1 . . . . 35 VAL H . 17350 1 158 . 1 1 35 35 VAL C C 13 177.785 0.20 . 1 . . . . 35 VAL C . 17350 1 159 . 1 1 35 35 VAL CA C 13 67.744 0.20 . 1 . . . . 35 VAL CA . 17350 1 160 . 1 1 35 35 VAL CB C 13 31.506 0.20 . 1 . . . . 35 VAL CB . 17350 1 161 . 1 1 35 35 VAL N N 15 120.103 0.2 . 1 . . . . 35 VAL N . 17350 1 162 . 1 1 36 36 LEU H H 1 7.606 0.02 . 1 . . . . 36 LEU H . 17350 1 163 . 1 1 36 36 LEU C C 13 180.515 0.20 . 1 . . . . 36 LEU C . 17350 1 164 . 1 1 36 36 LEU CA C 13 58.601 0.20 . 1 . . . . 36 LEU CA . 17350 1 165 . 1 1 36 36 LEU CB C 13 41.776 0.20 . 1 . . . . 36 LEU CB . 17350 1 166 . 1 1 36 36 LEU N N 15 118.499 0.2 . 1 . . . . 36 LEU N . 17350 1 167 . 1 1 37 37 LYS H H 1 7.895 0.02 . 1 . . . . 37 LYS H . 17350 1 168 . 1 1 37 37 LYS C C 13 179.601 0.20 . 1 . . . . 37 LYS C . 17350 1 169 . 1 1 37 37 LYS CA C 13 57.894 0.20 . 1 . . . . 37 LYS CA . 17350 1 170 . 1 1 37 37 LYS CB C 13 31.473 0.20 . 1 . . . . 37 LYS CB . 17350 1 171 . 1 1 37 37 LYS N N 15 119.253 0.2 . 1 . . . . 37 LYS N . 17350 1 172 . 1 1 38 38 ALA H H 1 8.913 0.02 . 1 . . . . 38 ALA H . 17350 1 173 . 1 1 38 38 ALA C C 13 179.449 0.20 . 1 . . . . 38 ALA C . 17350 1 174 . 1 1 38 38 ALA CA C 13 55.184 0.20 . 1 . . . . 38 ALA CA . 17350 1 175 . 1 1 38 38 ALA CB C 13 17.461 0.20 . 1 . . . . 38 ALA CB . 17350 1 176 . 1 1 38 38 ALA N N 15 123.267 0.2 . 1 . . . . 38 ALA N . 17350 1 177 . 1 1 39 39 LYS H H 1 8.618 0.02 . 1 . . . . 39 LYS H . 17350 1 178 . 1 1 39 39 LYS C C 13 179.243 0.20 . 1 . . . . 39 LYS C . 17350 1 179 . 1 1 39 39 LYS CA C 13 60.833 0.20 . 1 . . . . 39 LYS CA . 17350 1 180 . 1 1 39 39 LYS CB C 13 31.651 0.20 . 1 . . . . 39 LYS CB . 17350 1 181 . 1 1 39 39 LYS N N 15 118.135 0.2 . 1 . . . . 39 LYS N . 17350 1 182 . 1 1 40 40 SER H H 1 7.742 0.02 . 1 . . . . 40 SER H . 17350 1 183 . 1 1 40 40 SER C C 13 176.664 0.20 . 1 . . . . 40 SER C . 17350 1 184 . 1 1 40 40 SER CA C 13 62.292 0.20 . 1 . . . . 40 SER CA . 17350 1 185 . 1 1 40 40 SER CB C 13 62.701 0.20 . 1 . . . . 40 SER CB . 17350 1 186 . 1 1 40 40 SER N N 15 116.117 0.2 . 1 . . . . 40 SER N . 17350 1 187 . 1 1 41 41 VAL H H 1 7.465 0.02 . 1 . . . . 41 VAL H . 17350 1 188 . 1 1 41 41 VAL C C 13 179.247 0.20 . 1 . . . . 41 VAL C . 17350 1 189 . 1 1 41 41 VAL CA C 13 66.542 0.20 . 1 . . . . 41 VAL CA . 17350 1 190 . 1 1 41 41 VAL CB C 13 30.909 0.20 . 1 . . . . 41 VAL CB . 17350 1 191 . 1 1 41 41 VAL N N 15 121.660 0.2 . 1 . . . . 41 VAL N . 17350 1 192 . 1 1 42 42 ALA H H 1 8.269 0.02 . 1 . . . . 42 ALA H . 17350 1 193 . 1 1 42 42 ALA C C 13 178.991 0.20 . 1 . . . . 42 ALA C . 17350 1 194 . 1 1 42 42 ALA CA C 13 55.596 0.20 . 1 . . . . 42 ALA CA . 17350 1 195 . 1 1 42 42 ALA CB C 13 18.134 0.20 . 1 . . . . 42 ALA CB . 17350 1 196 . 1 1 42 42 ALA N N 15 122.699 0.2 . 1 . . . . 42 ALA N . 17350 1 197 . 1 1 43 43 GLN H H 1 7.809 0.02 . 1 . . . . 43 GLN H . 17350 1 198 . 1 1 43 43 GLN C C 13 176.771 0.20 . 1 . . . . 43 GLN C . 17350 1 199 . 1 1 43 43 GLN CA C 13 57.803 0.20 . 1 . . . . 43 GLN CA . 17350 1 200 . 1 1 43 43 GLN CB C 13 28.771 0.20 . 1 . . . . 43 GLN CB . 17350 1 201 . 1 1 43 43 GLN N N 15 114.258 0.2 . 1 . . . . 43 GLN N . 17350 1 202 . 1 1 44 44 ARG H H 1 7.280 0.02 . 1 . . . . 44 ARG H . 17350 1 203 . 1 1 44 44 ARG C C 13 175.609 0.20 . 1 . . . . 44 ARG C . 17350 1 204 . 1 1 44 44 ARG CA C 13 54.989 0.20 . 1 . . . . 44 ARG CA . 17350 1 205 . 1 1 44 44 ARG CB C 13 30.398 0.20 . 1 . . . . 44 ARG CB . 17350 1 206 . 1 1 44 44 ARG N N 15 116.491 0.2 . 1 . . . . 44 ARG N . 17350 1 207 . 1 1 45 45 THR H H 1 7.352 0.02 . 1 . . . . 45 THR H . 17350 1 208 . 1 1 45 45 THR C C 13 173.533 0.20 . 1 . . . . 45 THR C . 17350 1 209 . 1 1 45 45 THR CA C 13 62.521 0.20 . 1 . . . . 45 THR CA . 17350 1 210 . 1 1 45 45 THR CB C 13 69.456 0.20 . 1 . . . . 45 THR CB . 17350 1 211 . 1 1 45 45 THR N N 15 117.025 0.2 . 1 . . . . 45 THR N . 17350 1 212 . 1 1 46 46 GLU H H 1 8.604 0.02 . 1 . . . . 46 GLU H . 17350 1 213 . 1 1 46 46 GLU C C 13 176.410 0.20 . 1 . . . . 46 GLU C . 17350 1 214 . 1 1 46 46 GLU CA C 13 57.456 0.20 . 1 . . . . 46 GLU CA . 17350 1 215 . 1 1 46 46 GLU CB C 13 30.046 0.20 . 1 . . . . 46 GLU CB . 17350 1 216 . 1 1 46 46 GLU N N 15 126.420 0.2 . 1 . . . . 46 GLU N . 17350 1 217 . 1 1 47 47 ASP H H 1 7.933 0.02 . 1 . . . . 47 ASP H . 17350 1 218 . 1 1 47 47 ASP C C 13 180.492 0.20 . 1 . . . . 47 ASP C . 17350 1 219 . 1 1 47 47 ASP CA C 13 54.212 0.20 . 1 . . . . 47 ASP CA . 17350 1 220 . 1 1 47 47 ASP CB C 13 43.012 0.20 . 1 . . . . 47 ASP CB . 17350 1 221 . 1 1 47 47 ASP N N 15 120.992 0.2 . 1 . . . . 47 ASP N . 17350 1 222 . 1 1 48 48 SER H H 1 8.895 0.02 . 1 . . . . 48 SER H . 17350 1 223 . 1 1 48 48 SER C C 13 176.862 0.20 . 1 . . . . 48 SER C . 17350 1 224 . 1 1 48 48 SER CA C 13 61.721 0.20 . 1 . . . . 48 SER CA . 17350 1 225 . 1 1 48 48 SER CB C 13 62.870 0.20 . 1 . . . . 48 SER CB . 17350 1 226 . 1 1 48 48 SER N N 15 123.471 0.2 . 1 . . . . 48 SER N . 17350 1 227 . 1 1 49 49 GLY H H 1 8.387 0.02 . 1 . . . . 49 GLY H . 17350 1 228 . 1 1 49 49 GLY C C 13 176.873 0.20 . 1 . . . . 49 GLY C . 17350 1 229 . 1 1 49 49 GLY CA C 13 47.215 0.20 . 1 . . . . 49 GLY CA . 17350 1 230 . 1 1 49 49 GLY N N 15 112.636 0.2 . 1 . . . . 49 GLY N . 17350 1 231 . 1 1 50 50 LEU H H 1 8.373 0.02 . 1 . . . . 50 LEU H . 17350 1 232 . 1 1 50 50 LEU C C 13 180.170 0.20 . 1 . . . . 50 LEU C . 17350 1 233 . 1 1 50 50 LEU CA C 13 57.452 0.20 . 1 . . . . 50 LEU CA . 17350 1 234 . 1 1 50 50 LEU CB C 13 41.973 0.20 . 1 . . . . 50 LEU CB . 17350 1 235 . 1 1 50 50 LEU N N 15 123.595 0.2 . 1 . . . . 50 LEU N . 17350 1 236 . 1 1 51 51 GLN H H 1 8.666 0.02 . 1 . . . . 51 GLN H . 17350 1 237 . 1 1 51 51 GLN C C 13 177.875 0.20 . 1 . . . . 51 GLN C . 17350 1 238 . 1 1 51 51 GLN CA C 13 60.545 0.20 . 1 . . . . 51 GLN CA . 17350 1 239 . 1 1 51 51 GLN CB C 13 29.928 0.20 . 1 . . . . 51 GLN CB . 17350 1 240 . 1 1 51 51 GLN N N 15 120.627 0.2 . 1 . . . . 51 GLN N . 17350 1 241 . 1 1 52 52 THR H H 1 8.245 0.02 . 1 . . . . 52 THR H . 17350 1 242 . 1 1 52 52 THR C C 13 176.488 0.20 . 1 . . . . 52 THR C . 17350 1 243 . 1 1 52 52 THR CA C 13 66.709 0.20 . 1 . . . . 52 THR CA . 17350 1 244 . 1 1 52 52 THR CB C 13 68.869 0.20 . 1 . . . . 52 THR CB . 17350 1 245 . 1 1 52 52 THR N N 15 114.603 0.2 . 1 . . . . 52 THR N . 17350 1 246 . 1 1 53 53 GLN H H 1 7.723 0.02 . 1 . . . . 53 GLN H . 17350 1 247 . 1 1 53 53 GLN C C 13 179.090 0.20 . 1 . . . . 53 GLN C . 17350 1 248 . 1 1 53 53 GLN CA C 13 59.135 0.20 . 1 . . . . 53 GLN CA . 17350 1 249 . 1 1 53 53 GLN CB C 13 28.564 0.20 . 1 . . . . 53 GLN CB . 17350 1 250 . 1 1 53 53 GLN N N 15 120.511 0.2 . 1 . . . . 53 GLN N . 17350 1 251 . 1 1 54 54 VAL H H 1 7.867 0.02 . 1 . . . . 54 VAL H . 17350 1 252 . 1 1 54 54 VAL C C 13 177.498 0.20 . 1 . . . . 54 VAL C . 17350 1 253 . 1 1 54 54 VAL CA C 13 66.963 0.20 . 1 . . . . 54 VAL CA . 17350 1 254 . 1 1 54 54 VAL CB C 13 31.553 0.20 . 1 . . . . 54 VAL CB . 17350 1 255 . 1 1 54 54 VAL N N 15 120.408 0.2 . 1 . . . . 54 VAL N . 17350 1 256 . 1 1 55 55 ILE H H 1 8.004 0.02 . 1 . . . . 55 ILE H . 17350 1 257 . 1 1 55 55 ILE C C 13 179.119 0.20 . 1 . . . . 55 ILE C . 17350 1 258 . 1 1 55 55 ILE CA C 13 64.194 0.20 . 1 . . . . 55 ILE CA . 17350 1 259 . 1 1 55 55 ILE CB C 13 36.688 0.20 . 1 . . . . 55 ILE CB . 17350 1 260 . 1 1 55 55 ILE N N 15 119.953 0.2 . 1 . . . . 55 ILE N . 17350 1 261 . 1 1 56 56 ALA H H 1 8.826 0.02 . 1 . . . . 56 ALA H . 17350 1 262 . 1 1 56 56 ALA C C 13 180.634 0.20 . 1 . . . . 56 ALA C . 17350 1 263 . 1 1 56 56 ALA CA C 13 55.409 0.20 . 1 . . . . 56 ALA CA . 17350 1 264 . 1 1 56 56 ALA CB C 13 17.707 0.20 . 1 . . . . 56 ALA CB . 17350 1 265 . 1 1 56 56 ALA N N 15 124.422 0.2 . 1 . . . . 56 ALA N . 17350 1 266 . 1 1 57 57 ALA H H 1 7.867 0.02 . 1 . . . . 57 ALA H . 17350 1 267 . 1 1 57 57 ALA C C 13 181.053 0.20 . 1 . . . . 57 ALA C . 17350 1 268 . 1 1 57 57 ALA CA C 13 54.791 0.20 . 1 . . . . 57 ALA CA . 17350 1 269 . 1 1 57 57 ALA CB C 13 17.488 0.20 . 1 . . . . 57 ALA CB . 17350 1 270 . 1 1 57 57 ALA N N 15 121.540 0.2 . 1 . . . . 57 ALA N . 17350 1 271 . 1 1 58 58 ALA H H 1 8.644 0.02 . 1 . . . . 58 ALA H . 17350 1 272 . 1 1 58 58 ALA C C 13 179.357 0.20 . 1 . . . . 58 ALA C . 17350 1 273 . 1 1 58 58 ALA CA C 13 55.667 0.20 . 1 . . . . 58 ALA CA . 17350 1 274 . 1 1 58 58 ALA CB C 13 17.583 0.20 . 1 . . . . 58 ALA CB . 17350 1 275 . 1 1 58 58 ALA N N 15 123.809 0.2 . 1 . . . . 58 ALA N . 17350 1 276 . 1 1 59 59 THR H H 1 8.762 0.02 . 1 . . . . 59 THR H . 17350 1 277 . 1 1 59 59 THR C C 13 176.292 0.20 . 1 . . . . 59 THR C . 17350 1 278 . 1 1 59 59 THR CA C 13 66.836 0.20 . 1 . . . . 59 THR CA . 17350 1 279 . 1 1 59 59 THR CB C 13 68.785 0.20 . 1 . . . . 59 THR CB . 17350 1 280 . 1 1 59 59 THR N N 15 116.960 0.2 . 1 . . . . 59 THR N . 17350 1 281 . 1 1 60 60 GLN H H 1 8.081 0.02 . 1 . . . . 60 GLN H . 17350 1 282 . 1 1 60 60 GLN C C 13 178.971 0.20 . 1 . . . . 60 GLN C . 17350 1 283 . 1 1 60 60 GLN CA C 13 58.301 0.20 . 1 . . . . 60 GLN CA . 17350 1 284 . 1 1 60 60 GLN CB C 13 27.749 0.20 . 1 . . . . 60 GLN CB . 17350 1 285 . 1 1 60 60 GLN N N 15 120.781 0.2 . 1 . . . . 60 GLN N . 17350 1 286 . 1 1 61 61 CYS H H 1 8.092 0.02 . 1 . . . . 61 CYS H . 17350 1 287 . 1 1 61 61 CYS C C 13 176.328 0.20 . 1 . . . . 61 CYS C . 17350 1 288 . 1 1 61 61 CYS CA C 13 63.371 0.20 . 1 . . . . 61 CYS CA . 17350 1 289 . 1 1 61 61 CYS CB C 13 26.041 0.20 . 1 . . . . 61 CYS CB . 17350 1 290 . 1 1 61 61 CYS N N 15 120.683 0.2 . 1 . . . . 61 CYS N . 17350 1 291 . 1 1 62 62 ALA H H 1 8.043 0.02 . 1 . . . . 62 ALA H . 17350 1 292 . 1 1 62 62 ALA C C 13 180.038 0.20 . 1 . . . . 62 ALA C . 17350 1 293 . 1 1 62 62 ALA CA C 13 55.806 0.20 . 1 . . . . 62 ALA CA . 17350 1 294 . 1 1 62 62 ALA CB C 13 17.958 0.20 . 1 . . . . 62 ALA CB . 17350 1 295 . 1 1 62 62 ALA N N 15 124.852 0.2 . 1 . . . . 62 ALA N . 17350 1 296 . 1 1 63 63 LEU H H 1 8.551 0.02 . 1 . . . . 63 LEU H . 17350 1 297 . 1 1 63 63 LEU C C 13 179.973 0.20 . 1 . . . . 63 LEU C . 17350 1 298 . 1 1 63 63 LEU CA C 13 58.222 0.20 . 1 . . . . 63 LEU CA . 17350 1 299 . 1 1 63 63 LEU CB C 13 42.089 0.20 . 1 . . . . 63 LEU CB . 17350 1 300 . 1 1 63 63 LEU N N 15 120.094 0.2 . 1 . . . . 63 LEU N . 17350 1 301 . 1 1 64 64 SER H H 1 8.592 0.02 . 1 . . . . 64 SER H . 17350 1 302 . 1 1 64 64 SER C C 13 178.154 0.20 . 1 . . . . 64 SER C . 17350 1 303 . 1 1 64 64 SER CA C 13 62.166 0.20 . 1 . . . . 64 SER CA . 17350 1 304 . 1 1 64 64 SER N N 15 115.274 0.2 . 1 . . . . 64 SER N . 17350 1 305 . 1 1 65 65 THR H H 1 8.101 0.02 . 1 . . . . 65 THR H . 17350 1 306 . 1 1 65 65 THR C C 13 176.185 0.20 . 1 . . . . 65 THR C . 17350 1 307 . 1 1 65 65 THR CA C 13 67.728 0.20 . 1 . . . . 65 THR CA . 17350 1 308 . 1 1 65 65 THR CB C 13 67.728 0.20 . 1 . . . . 65 THR CB . 17350 1 309 . 1 1 65 65 THR N N 15 120.790 0.2 . 1 . . . . 65 THR N . 17350 1 310 . 1 1 66 66 SER H H 1 8.138 0.02 . 1 . . . . 66 SER H . 17350 1 311 . 1 1 66 66 SER CA C 13 62.313 0.20 . 1 . . . . 66 SER CA . 17350 1 312 . 1 1 66 66 SER N N 15 119.701 0.2 . 1 . . . . 66 SER N . 17350 1 313 . 1 1 67 67 GLN C C 13 178.342 0.20 . 1 . . . . 67 GLN C . 17350 1 314 . 1 1 67 67 GLN CA C 13 58.821 0.20 . 1 . . . . 67 GLN CA . 17350 1 315 . 1 1 67 67 GLN CB C 13 27.881 0.20 . 1 . . . . 67 GLN CB . 17350 1 316 . 1 1 68 68 LEU H H 1 7.893 0.02 . 1 . . . . 68 LEU H . 17350 1 317 . 1 1 68 68 LEU C C 13 179.286 0.20 . 1 . . . . 68 LEU C . 17350 1 318 . 1 1 68 68 LEU CA C 13 58.821 0.20 . 1 . . . . 68 LEU CA . 17350 1 319 . 1 1 68 68 LEU CB C 13 41.289 0.20 . 1 . . . . 68 LEU CB . 17350 1 320 . 1 1 68 68 LEU N N 15 122.944 0.2 . 1 . . . . 68 LEU N . 17350 1 321 . 1 1 69 69 VAL H H 1 8.295 0.02 . 1 . . . . 69 VAL H . 17350 1 322 . 1 1 69 69 VAL C C 13 177.224 0.20 . 1 . . . . 69 VAL C . 17350 1 323 . 1 1 69 69 VAL CA C 13 67.844 0.20 . 1 . . . . 69 VAL CA . 17350 1 324 . 1 1 69 69 VAL CB C 13 31.682 0.20 . 1 . . . . 69 VAL CB . 17350 1 325 . 1 1 69 69 VAL N N 15 123.293 0.2 . 1 . . . . 69 VAL N . 17350 1 326 . 1 1 70 70 ALA H H 1 7.829 0.02 . 1 . . . . 70 ALA H . 17350 1 327 . 1 1 70 70 ALA C C 13 179.935 0.20 . 1 . . . . 70 ALA C . 17350 1 328 . 1 1 70 70 ALA CA C 13 55.336 0.20 . 1 . . . . 70 ALA CA . 17350 1 329 . 1 1 70 70 ALA CB C 13 17.993 0.20 . 1 . . . . 70 ALA CB . 17350 1 330 . 1 1 70 70 ALA N N 15 121.185 0.2 . 1 . . . . 70 ALA N . 17350 1 331 . 1 1 71 71 CYS H H 1 8.390 0.02 . 1 . . . . 71 CYS H . 17350 1 332 . 1 1 71 71 CYS C C 13 176.347 0.20 . 1 . . . . 71 CYS C . 17350 1 333 . 1 1 71 71 CYS CA C 13 61.789 0.20 . 1 . . . . 71 CYS CA . 17350 1 334 . 1 1 71 71 CYS CB C 13 26.459 0.20 . 1 . . . . 71 CYS CB . 17350 1 335 . 1 1 71 71 CYS N N 15 117.773 0.2 . 1 . . . . 71 CYS N . 17350 1 336 . 1 1 72 72 THR H H 1 8.200 0.02 . 1 . . . . 72 THR H . 17350 1 337 . 1 1 72 72 THR C C 13 174.904 0.20 . 1 . . . . 72 THR C . 17350 1 338 . 1 1 72 72 THR CA C 13 68.355 0.20 . 1 . . . . 72 THR CA . 17350 1 339 . 1 1 72 72 THR CB C 13 67.960 0.20 . 1 . . . . 72 THR CB . 17350 1 340 . 1 1 72 72 THR N N 15 115.460 0.2 . 1 . . . . 72 THR N . 17350 1 341 . 1 1 73 73 LYS H H 1 7.559 0.02 . 1 . . . . 73 LYS H . 17350 1 342 . 1 1 73 73 LYS C C 13 178.519 0.20 . 1 . . . . 73 LYS C . 17350 1 343 . 1 1 73 73 LYS CA C 13 59.704 0.20 . 1 . . . . 73 LYS CA . 17350 1 344 . 1 1 73 73 LYS CB C 13 32.542 0.20 . 1 . . . . 73 LYS CB . 17350 1 345 . 1 1 73 73 LYS N N 15 118.522 0.2 . 1 . . . . 73 LYS N . 17350 1 346 . 1 1 74 74 VAL H H 1 7.363 0.02 . 1 . . . . 74 VAL H . 17350 1 347 . 1 1 74 74 VAL C C 13 178.457 0.20 . 1 . . . . 74 VAL C . 17350 1 348 . 1 1 74 74 VAL CA C 13 65.465 0.20 . 1 . . . . 74 VAL CA . 17350 1 349 . 1 1 74 74 VAL CB C 13 32.207 0.20 . 1 . . . . 74 VAL CB . 17350 1 350 . 1 1 74 74 VAL N N 15 115.886 0.2 . 1 . . . . 74 VAL N . 17350 1 351 . 1 1 75 75 VAL H H 1 8.388 0.02 . 1 . . . . 75 VAL H . 17350 1 352 . 1 1 75 75 VAL C C 13 176.946 0.20 . 1 . . . . 75 VAL C . 17350 1 353 . 1 1 75 75 VAL CA C 13 62.745 0.20 . 1 . . . . 75 VAL CA . 17350 1 354 . 1 1 75 75 VAL CB C 13 32.991 0.20 . 1 . . . . 75 VAL CB . 17350 1 355 . 1 1 75 75 VAL N N 15 111.366 0.2 . 1 . . . . 75 VAL N . 17350 1 356 . 1 1 76 76 ALA H H 1 8.118 0.02 . 1 . . . . 76 ALA H . 17350 1 357 . 1 1 76 76 ALA CA C 13 57.049 0.20 . 1 . . . . 76 ALA CA . 17350 1 358 . 1 1 76 76 ALA CB C 13 16.230 0.20 . 1 . . . . 76 ALA CB . 17350 1 359 . 1 1 76 76 ALA N N 15 123.643 0.2 . 1 . . . . 76 ALA N . 17350 1 360 . 1 1 77 77 PRO C C 13 177.349 0.20 . 1 . . . . 77 PRO C . 17350 1 361 . 1 1 77 77 PRO CA C 13 65.244 0.20 . 1 . . . . 77 PRO CA . 17350 1 362 . 1 1 77 77 PRO CB C 13 31.929 0.20 . 1 . . . . 77 PRO CB . 17350 1 363 . 1 1 78 78 THR H H 1 7.777 0.02 . 1 . . . . 78 THR H . 17350 1 364 . 1 1 78 78 THR C C 13 176.193 0.20 . 1 . . . . 78 THR C . 17350 1 365 . 1 1 78 78 THR CA C 13 59.388 0.20 . 1 . . . . 78 THR CA . 17350 1 366 . 1 1 78 78 THR CB C 13 68.447 0.20 . 1 . . . . 78 THR CB . 17350 1 367 . 1 1 78 78 THR N N 15 106.842 0.2 . 1 . . . . 78 THR N . 17350 1 368 . 1 1 79 79 ILE H H 1 6.972 0.02 . 1 . . . . 79 ILE H . 17350 1 369 . 1 1 79 79 ILE C C 13 173.719 0.20 . 1 . . . . 79 ILE C . 17350 1 370 . 1 1 79 79 ILE CA C 13 59.873 0.20 . 1 . . . . 79 ILE CA . 17350 1 371 . 1 1 79 79 ILE CB C 13 39.240 0.20 . 1 . . . . 79 ILE CB . 17350 1 372 . 1 1 79 79 ILE N N 15 122.420 0.2 . 1 . . . . 79 ILE N . 17350 1 373 . 1 1 80 80 SER H H 1 7.990 0.02 . 1 . . . . 80 SER H . 17350 1 374 . 1 1 80 80 SER C C 13 175.474 0.20 . 1 . . . . 80 SER C . 17350 1 375 . 1 1 80 80 SER CA C 13 59.317 0.20 . 1 . . . . 80 SER CA . 17350 1 376 . 1 1 80 80 SER CB C 13 63.142 0.20 . 1 . . . . 80 SER CB . 17350 1 377 . 1 1 80 80 SER N N 15 113.885 0.2 . 1 . . . . 80 SER N . 17350 1 378 . 1 1 81 81 SER H H 1 8.053 0.02 . 1 . . . . 81 SER H . 17350 1 379 . 1 1 81 81 SER CA C 13 55.246 0.20 . 1 . . . . 81 SER CA . 17350 1 380 . 1 1 81 81 SER CB C 13 63.669 0.20 . 1 . . . . 81 SER CB . 17350 1 381 . 1 1 81 81 SER N N 15 118.508 0.2 . 1 . . . . 81 SER N . 17350 1 382 . 1 1 82 82 PRO C C 13 178.691 0.20 . 1 . . . . 82 PRO C . 17350 1 383 . 1 1 82 82 PRO CA C 13 65.517 0.20 . 1 . . . . 82 PRO CA . 17350 1 384 . 1 1 82 82 PRO CB C 13 32.246 0.20 . 1 . . . . 82 PRO CB . 17350 1 385 . 1 1 83 83 VAL H H 1 7.631 0.02 . 1 . . . . 83 VAL H . 17350 1 386 . 1 1 83 83 VAL C C 13 180.452 0.20 . 1 . . . . 83 VAL C . 17350 1 387 . 1 1 83 83 VAL CA C 13 65.385 0.20 . 1 . . . . 83 VAL CA . 17350 1 388 . 1 1 83 83 VAL CB C 13 31.841 0.20 . 1 . . . . 83 VAL CB . 17350 1 389 . 1 1 83 83 VAL N N 15 116.313 0.2 . 1 . . . . 83 VAL N . 17350 1 390 . 1 1 84 84 CYS H H 1 7.201 0.02 . 1 . . . . 84 CYS H . 17350 1 391 . 1 1 84 84 CYS C C 13 176.523 0.20 . 1 . . . . 84 CYS C . 17350 1 392 . 1 1 84 84 CYS CA C 13 62.366 0.20 . 1 . . . . 84 CYS CA . 17350 1 393 . 1 1 84 84 CYS CB C 13 27.976 0.20 . 1 . . . . 84 CYS CB . 17350 1 394 . 1 1 84 84 CYS N N 15 120.135 0.2 . 1 . . . . 84 CYS N . 17350 1 395 . 1 1 85 85 GLN H H 1 7.926 0.02 . 1 . . . . 85 GLN H . 17350 1 396 . 1 1 85 85 GLN C C 13 177.759 0.20 . 1 . . . . 85 GLN C . 17350 1 397 . 1 1 85 85 GLN CA C 13 59.998 0.20 . 1 . . . . 85 GLN CA . 17350 1 398 . 1 1 85 85 GLN CB C 13 27.799 0.20 . 1 . . . . 85 GLN CB . 17350 1 399 . 1 1 85 85 GLN N N 15 118.881 0.2 . 1 . . . . 85 GLN N . 17350 1 400 . 1 1 86 86 GLU H H 1 7.964 0.02 . 1 . . . . 86 GLU H . 17350 1 401 . 1 1 86 86 GLU C C 13 179.043 0.20 . 1 . . . . 86 GLU C . 17350 1 402 . 1 1 86 86 GLU CA C 13 59.249 0.20 . 1 . . . . 86 GLU CA . 17350 1 403 . 1 1 86 86 GLU CB C 13 29.147 0.20 . 1 . . . . 86 GLU CB . 17350 1 404 . 1 1 86 86 GLU N N 15 117.160 0.2 . 1 . . . . 86 GLU N . 17350 1 405 . 1 1 87 87 GLN H H 1 7.624 0.02 . 1 . . . . 87 GLN H . 17350 1 406 . 1 1 87 87 GLN C C 13 178.968 0.20 . 1 . . . . 87 GLN C . 17350 1 407 . 1 1 87 87 GLN CA C 13 59.169 0.20 . 1 . . . . 87 GLN CA . 17350 1 408 . 1 1 87 87 GLN CB C 13 28.745 0.20 . 1 . . . . 87 GLN CB . 17350 1 409 . 1 1 87 87 GLN N N 15 118.245 0.2 . 1 . . . . 87 GLN N . 17350 1 410 . 1 1 88 88 LEU H H 1 7.646 0.02 . 1 . . . . 88 LEU H . 17350 1 411 . 1 1 88 88 LEU C C 13 178.451 0.20 . 1 . . . . 88 LEU C . 17350 1 412 . 1 1 88 88 LEU CA C 13 58.026 0.20 . 1 . . . . 88 LEU CA . 17350 1 413 . 1 1 88 88 LEU CB C 13 42.022 0.20 . 1 . . . . 88 LEU CB . 17350 1 414 . 1 1 88 88 LEU N N 15 121.985 0.2 . 1 . . . . 88 LEU N . 17350 1 415 . 1 1 89 89 VAL H H 1 8.378 0.02 . 1 . . . . 89 VAL H . 17350 1 416 . 1 1 89 89 VAL C C 13 179.307 0.20 . 1 . . . . 89 VAL C . 17350 1 417 . 1 1 89 89 VAL CA C 13 67.225 0.20 . 1 . . . . 89 VAL CA . 17350 1 418 . 1 1 89 89 VAL CB C 13 31.557 0.20 . 1 . . . . 89 VAL CB . 17350 1 419 . 1 1 89 89 VAL N N 15 120.012 0.2 . 1 . . . . 89 VAL N . 17350 1 420 . 1 1 90 90 GLU H H 1 8.259 0.02 . 1 . . . . 90 GLU H . 17350 1 421 . 1 1 90 90 GLU C C 13 178.552 0.20 . 1 . . . . 90 GLU C . 17350 1 422 . 1 1 90 90 GLU CA C 13 59.175 0.20 . 1 . . . . 90 GLU CA . 17350 1 423 . 1 1 90 90 GLU CB C 13 28.742 0.20 . 1 . . . . 90 GLU CB . 17350 1 424 . 1 1 90 90 GLU N N 15 120.830 0.2 . 1 . . . . 90 GLU N . 17350 1 425 . 1 1 91 91 ALA H H 1 8.002 0.02 . 1 . . . . 91 ALA H . 17350 1 426 . 1 1 91 91 ALA C C 13 181.818 0.20 . 1 . . . . 91 ALA C . 17350 1 427 . 1 1 91 91 ALA CA C 13 55.242 0.20 . 1 . . . . 91 ALA CA . 17350 1 428 . 1 1 91 91 ALA CB C 13 17.692 0.20 . 1 . . . . 91 ALA CB . 17350 1 429 . 1 1 91 91 ALA N N 15 122.032 0.2 . 1 . . . . 91 ALA N . 17350 1 430 . 1 1 92 92 GLY H H 1 8.916 0.02 . 1 . . . . 92 GLY H . 17350 1 431 . 1 1 92 92 GLY C C 13 174.981 0.20 . 1 . . . . 92 GLY C . 17350 1 432 . 1 1 92 92 GLY CA C 13 47.504 0.20 . 1 . . . . 92 GLY CA . 17350 1 433 . 1 1 92 92 GLY N N 15 107.308 0.2 . 1 . . . . 92 GLY N . 17350 1 434 . 1 1 93 93 ARG H H 1 8.569 0.02 . 1 . . . . 93 ARG H . 17350 1 435 . 1 1 93 93 ARG C C 13 179.425 0.20 . 1 . . . . 93 ARG C . 17350 1 436 . 1 1 93 93 ARG CA C 13 59.692 0.20 . 1 . . . . 93 ARG CA . 17350 1 437 . 1 1 93 93 ARG CB C 13 29.889 0.20 . 1 . . . . 93 ARG CB . 17350 1 438 . 1 1 93 93 ARG N N 15 124.792 0.2 . 1 . . . . 93 ARG N . 17350 1 439 . 1 1 94 94 LEU H H 1 7.717 0.02 . 1 . . . . 94 LEU H . 17350 1 440 . 1 1 94 94 LEU C C 13 180.728 0.20 . 1 . . . . 94 LEU C . 17350 1 441 . 1 1 94 94 LEU CA C 13 58.063 0.20 . 1 . . . . 94 LEU CA . 17350 1 442 . 1 1 94 94 LEU CB C 13 41.236 0.20 . 1 . . . . 94 LEU CB . 17350 1 443 . 1 1 94 94 LEU N N 15 118.966 0.2 . 1 . . . . 94 LEU N . 17350 1 444 . 1 1 95 95 VAL H H 1 7.478 0.02 . 1 . . . . 95 VAL H . 17350 1 445 . 1 1 95 95 VAL C C 13 177.363 0.20 . 1 . . . . 95 VAL C . 17350 1 446 . 1 1 95 95 VAL CA C 13 66.181 0.20 . 1 . . . . 95 VAL CA . 17350 1 447 . 1 1 95 95 VAL CB C 13 30.972 0.20 . 1 . . . . 95 VAL CB . 17350 1 448 . 1 1 95 95 VAL N N 15 120.760 0.2 . 1 . . . . 95 VAL N . 17350 1 449 . 1 1 96 96 ALA H H 1 8.163 0.02 . 1 . . . . 96 ALA H . 17350 1 450 . 1 1 96 96 ALA C C 13 180.905 0.20 . 1 . . . . 96 ALA C . 17350 1 451 . 1 1 96 96 ALA CA C 13 55.797 0.20 . 1 . . . . 96 ALA CA . 17350 1 452 . 1 1 96 96 ALA CB C 13 17.700 0.20 . 1 . . . . 96 ALA CB . 17350 1 453 . 1 1 96 96 ALA N N 15 122.361 0.2 . 1 . . . . 96 ALA N . 17350 1 454 . 1 1 97 97 LYS H H 1 8.128 0.02 . 1 . . . . 97 LYS H . 17350 1 455 . 1 1 97 97 LYS C C 13 179.217 0.20 . 1 . . . . 97 LYS C . 17350 1 456 . 1 1 97 97 LYS CA C 13 58.685 0.20 . 1 . . . . 97 LYS CA . 17350 1 457 . 1 1 97 97 LYS CB C 13 32.102 0.20 . 1 . . . . 97 LYS CB . 17350 1 458 . 1 1 97 97 LYS N N 15 118.055 0.2 . 1 . . . . 97 LYS N . 17350 1 459 . 1 1 98 98 ALA H H 1 7.987 0.02 . 1 . . . . 98 ALA H . 17350 1 460 . 1 1 98 98 ALA C C 13 181.538 0.20 . 1 . . . . 98 ALA C . 17350 1 461 . 1 1 98 98 ALA CA C 13 54.400 0.20 . 1 . . . . 98 ALA CA . 17350 1 462 . 1 1 98 98 ALA CB C 13 17.574 0.20 . 1 . . . . 98 ALA CB . 17350 1 463 . 1 1 98 98 ALA N N 15 123.908 0.2 . 1 . . . . 98 ALA N . 17350 1 464 . 1 1 99 99 VAL H H 1 8.878 0.02 . 1 . . . . 99 VAL H . 17350 1 465 . 1 1 99 99 VAL C C 13 177.741 0.20 . 1 . . . . 99 VAL C . 17350 1 466 . 1 1 99 99 VAL CA C 13 67.550 0.20 . 1 . . . . 99 VAL CA . 17350 1 467 . 1 1 99 99 VAL CB C 13 31.332 0.20 . 1 . . . . 99 VAL CB . 17350 1 468 . 1 1 99 99 VAL N N 15 122.739 0.2 . 1 . . . . 99 VAL N . 17350 1 469 . 1 1 100 100 GLU H H 1 7.745 0.02 . 1 . . . . 100 GLU H . 17350 1 470 . 1 1 100 100 GLU C C 13 179.793 0.20 . 1 . . . . 100 GLU C . 17350 1 471 . 1 1 100 100 GLU CA C 13 59.613 0.20 . 1 . . . . 100 GLU CA . 17350 1 472 . 1 1 100 100 GLU CB C 13 29.226 0.20 . 1 . . . . 100 GLU CB . 17350 1 473 . 1 1 100 100 GLU N N 15 119.334 0.2 . 1 . . . . 100 GLU N . 17350 1 474 . 1 1 101 101 GLY H H 1 8.205 0.02 . 1 . . . . 101 GLY H . 17350 1 475 . 1 1 101 101 GLY C C 13 176.294 0.20 . 1 . . . . 101 GLY C . 17350 1 476 . 1 1 101 101 GLY CA C 13 47.068 0.20 . 1 . . . . 101 GLY CA . 17350 1 477 . 1 1 101 101 GLY N N 15 106.063 0.2 . 1 . . . . 101 GLY N . 17350 1 478 . 1 1 102 102 CYS H H 1 8.046 0.02 . 1 . . . . 102 CYS H . 17350 1 479 . 1 1 102 102 CYS C C 13 177.225 0.20 . 1 . . . . 102 CYS C . 17350 1 480 . 1 1 102 102 CYS CA C 13 63.665 0.20 . 1 . . . . 102 CYS CA . 17350 1 481 . 1 1 102 102 CYS CB C 13 27.328 0.20 . 1 . . . . 102 CYS CB . 17350 1 482 . 1 1 102 102 CYS N N 15 121.315 0.2 . 1 . . . . 102 CYS N . 17350 1 483 . 1 1 103 103 VAL H H 1 8.158 0.02 . 1 . . . . 103 VAL H . 17350 1 484 . 1 1 103 103 VAL C C 13 177.983 0.20 . 1 . . . . 103 VAL C . 17350 1 485 . 1 1 103 103 VAL CA C 13 67.780 0.20 . 1 . . . . 103 VAL CA . 17350 1 486 . 1 1 103 103 VAL CB C 13 31.627 0.20 . 1 . . . . 103 VAL CB . 17350 1 487 . 1 1 103 103 VAL N N 15 123.154 0.2 . 1 . . . . 103 VAL N . 17350 1 488 . 1 1 104 104 SER H H 1 8.654 0.02 . 1 . . . . 104 SER H . 17350 1 489 . 1 1 104 104 SER C C 13 177.859 0.20 . 1 . . . . 104 SER C . 17350 1 490 . 1 1 104 104 SER CA C 13 61.876 0.20 . 1 . . . . 104 SER CA . 17350 1 491 . 1 1 104 104 SER CB C 13 62.456 0.20 . 1 . . . . 104 SER CB . 17350 1 492 . 1 1 104 104 SER N N 15 115.393 0.2 . 1 . . . . 104 SER N . 17350 1 493 . 1 1 105 105 ALA H H 1 8.254 0.02 . 1 . . . . 105 ALA H . 17350 1 494 . 1 1 105 105 ALA C C 13 180.179 0.20 . 1 . . . . 105 ALA C . 17350 1 495 . 1 1 105 105 ALA CA C 13 54.962 0.20 . 1 . . . . 105 ALA CA . 17350 1 496 . 1 1 105 105 ALA CB C 13 18.055 0.20 . 1 . . . . 105 ALA CB . 17350 1 497 . 1 1 105 105 ALA N N 15 122.985 0.2 . 1 . . . . 105 ALA N . 17350 1 498 . 1 1 106 106 SER H H 1 7.770 0.02 . 1 . . . . 106 SER H . 17350 1 499 . 1 1 106 106 SER C C 13 174.813 0.20 . 1 . . . . 106 SER C . 17350 1 500 . 1 1 106 106 SER CA C 13 63.951 0.20 . 1 . . . . 106 SER CA . 17350 1 501 . 1 1 106 106 SER CB C 13 62.924 0.20 . 1 . . . . 106 SER CB . 17350 1 502 . 1 1 106 106 SER N N 15 114.384 0.2 . 1 . . . . 106 SER N . 17350 1 503 . 1 1 107 107 GLN H H 1 8.067 0.02 . 1 . . . . 107 GLN H . 17350 1 504 . 1 1 107 107 GLN C C 13 177.109 0.20 . 1 . . . . 107 GLN C . 17350 1 505 . 1 1 107 107 GLN CA C 13 58.086 0.20 . 1 . . . . 107 GLN CA . 17350 1 506 . 1 1 107 107 GLN CB C 13 27.969 0.20 . 1 . . . . 107 GLN CB . 17350 1 507 . 1 1 107 107 GLN N N 15 118.827 0.2 . 1 . . . . 107 GLN N . 17350 1 508 . 1 1 108 108 ALA H H 1 7.283 0.02 . 1 . . . . 108 ALA H . 17350 1 509 . 1 1 108 108 ALA C C 13 178.185 0.20 . 1 . . . . 108 ALA C . 17350 1 510 . 1 1 108 108 ALA CA C 13 53.232 0.20 . 1 . . . . 108 ALA CA . 17350 1 511 . 1 1 108 108 ALA CB C 13 18.400 0.20 . 1 . . . . 108 ALA CB . 17350 1 512 . 1 1 108 108 ALA N N 15 117.635 0.2 . 1 . . . . 108 ALA N . 17350 1 513 . 1 1 109 109 ALA H H 1 7.271 0.02 . 1 . . . . 109 ALA H . 17350 1 514 . 1 1 109 109 ALA C C 13 176.480 0.20 . 1 . . . . 109 ALA C . 17350 1 515 . 1 1 109 109 ALA CA C 13 53.232 0.20 . 1 . . . . 109 ALA CA . 17350 1 516 . 1 1 109 109 ALA CB C 13 20.907 0.20 . 1 . . . . 109 ALA CB . 17350 1 517 . 1 1 109 109 ALA N N 15 117.873 0.2 . 1 . . . . 109 ALA N . 17350 1 518 . 1 1 110 110 THR H H 1 7.594 0.02 . 1 . . . . 110 THR H . 17350 1 519 . 1 1 110 110 THR C C 13 170.366 0.20 . 1 . . . . 110 THR C . 17350 1 520 . 1 1 110 110 THR CA C 13 60.315 0.20 . 1 . . . . 110 THR CA . 17350 1 521 . 1 1 110 110 THR CB C 13 69.675 0.20 . 1 . . . . 110 THR CB . 17350 1 522 . 1 1 110 110 THR N N 15 111.850 0.2 . 1 . . . . 110 THR N . 17350 1 523 . 1 1 111 111 GLU H H 1 8.128 0.02 . 1 . . . . 111 GLU H . 17350 1 524 . 1 1 111 111 GLU C C 13 176.680 0.20 . 1 . . . . 111 GLU C . 17350 1 525 . 1 1 111 111 GLU CA C 13 55.048 0.20 . 1 . . . . 111 GLU CA . 17350 1 526 . 1 1 111 111 GLU CB C 13 30.640 0.20 . 1 . . . . 111 GLU CB . 17350 1 527 . 1 1 111 111 GLU N N 15 121.502 0.2 . 1 . . . . 111 GLU N . 17350 1 528 . 1 1 112 112 ASP H H 1 8.683 0.02 . 1 . . . . 112 ASP H . 17350 1 529 . 1 1 112 112 ASP C C 13 176.676 0.20 . 1 . . . . 112 ASP C . 17350 1 530 . 1 1 112 112 ASP CA C 13 55.019 0.20 . 1 . . . . 112 ASP CA . 17350 1 531 . 1 1 112 112 ASP CB C 13 42.068 0.20 . 1 . . . . 112 ASP CB . 17350 1 532 . 1 1 112 112 ASP N N 15 124.625 0.2 . 1 . . . . 112 ASP N . 17350 1 533 . 1 1 113 113 GLY H H 1 8.801 0.02 . 1 . . . . 113 GLY H . 17350 1 534 . 1 1 113 113 GLY C C 13 176.271 0.20 . 1 . . . . 113 GLY C . 17350 1 535 . 1 1 113 113 GLY CA C 13 47.462 0.20 . 1 . . . . 113 GLY CA . 17350 1 536 . 1 1 113 113 GLY N N 15 115.572 0.2 . 1 . . . . 113 GLY N . 17350 1 537 . 1 1 114 114 GLN H H 1 8.236 0.02 . 1 . . . . 114 GLN H . 17350 1 538 . 1 1 114 114 GLN C C 13 179.872 0.20 . 1 . . . . 114 GLN C . 17350 1 539 . 1 1 114 114 GLN CA C 13 59.076 0.20 . 1 . . . . 114 GLN CA . 17350 1 540 . 1 1 114 114 GLN CB C 13 28.073 0.20 . 1 . . . . 114 GLN CB . 17350 1 541 . 1 1 114 114 GLN N N 15 120.940 0.2 . 1 . . . . 114 GLN N . 17350 1 542 . 1 1 115 115 LEU H H 1 8.166 0.02 . 1 . . . . 115 LEU H . 17350 1 543 . 1 1 115 115 LEU C C 13 180.381 0.20 . 1 . . . . 115 LEU C . 17350 1 544 . 1 1 115 115 LEU CA C 13 57.455 0.20 . 1 . . . . 115 LEU CA . 17350 1 545 . 1 1 115 115 LEU CB C 13 41.801 0.20 . 1 . . . . 115 LEU CB . 17350 1 546 . 1 1 115 115 LEU N N 15 122.020 0.2 . 1 . . . . 115 LEU N . 17350 1 547 . 1 1 116 116 LEU H H 1 8.294 0.02 . 1 . . . . 116 LEU H . 17350 1 548 . 1 1 116 116 LEU C C 13 180.561 0.20 . 1 . . . . 116 LEU C . 17350 1 549 . 1 1 116 116 LEU CA C 13 57.919 0.20 . 1 . . . . 116 LEU CA . 17350 1 550 . 1 1 116 116 LEU CB C 13 41.341 0.20 . 1 . . . . 116 LEU CB . 17350 1 551 . 1 1 116 116 LEU N N 15 118.546 0.2 . 1 . . . . 116 LEU N . 17350 1 552 . 1 1 117 117 ARG H H 1 8.372 0.02 . 1 . . . . 117 ARG H . 17350 1 553 . 1 1 117 117 ARG C C 13 179.553 0.20 . 1 . . . . 117 ARG C . 17350 1 554 . 1 1 117 117 ARG CA C 13 59.434 0.20 . 1 . . . . 117 ARG CA . 17350 1 555 . 1 1 117 117 ARG CB C 13 29.717 0.20 . 1 . . . . 117 ARG CB . 17350 1 556 . 1 1 117 117 ARG N N 15 121.611 0.2 . 1 . . . . 117 ARG N . 17350 1 557 . 1 1 118 118 GLY H H 1 7.792 0.02 . 1 . . . . 118 GLY H . 17350 1 558 . 1 1 118 118 GLY C C 13 176.874 0.20 . 1 . . . . 118 GLY C . 17350 1 559 . 1 1 118 118 GLY CA C 13 47.116 0.20 . 1 . . . . 118 GLY CA . 17350 1 560 . 1 1 118 118 GLY N N 15 107.488 0.2 . 1 . . . . 118 GLY N . 17350 1 561 . 1 1 119 119 VAL H H 1 7.961 0.02 . 1 . . . . 119 VAL H . 17350 1 562 . 1 1 119 119 VAL C C 13 177.220 0.20 . 1 . . . . 119 VAL C . 17350 1 563 . 1 1 119 119 VAL CA C 13 67.211 0.20 . 1 . . . . 119 VAL CA . 17350 1 564 . 1 1 119 119 VAL CB C 13 31.854 0.20 . 1 . . . . 119 VAL CB . 17350 1 565 . 1 1 119 119 VAL N N 15 123.084 0.2 . 1 . . . . 119 VAL N . 17350 1 566 . 1 1 120 120 GLY H H 1 8.468 0.02 . 1 . . . . 120 GLY H . 17350 1 567 . 1 1 120 120 GLY C C 13 176.455 0.20 . 1 . . . . 120 GLY C . 17350 1 568 . 1 1 120 120 GLY CA C 13 47.482 0.20 . 1 . . . . 120 GLY CA . 17350 1 569 . 1 1 120 120 GLY N N 15 106.973 0.2 . 1 . . . . 120 GLY N . 17350 1 570 . 1 1 121 121 ALA H H 1 8.427 0.02 . 1 . . . . 121 ALA H . 17350 1 571 . 1 1 121 121 ALA C C 13 180.855 0.20 . 1 . . . . 121 ALA C . 17350 1 572 . 1 1 121 121 ALA CA C 13 54.944 0.20 . 1 . . . . 121 ALA CA . 17350 1 573 . 1 1 121 121 ALA CB C 13 17.975 0.20 . 1 . . . . 121 ALA CB . 17350 1 574 . 1 1 121 121 ALA N N 15 124.247 0.2 . 1 . . . . 121 ALA N . 17350 1 575 . 1 1 122 122 ALA H H 1 7.732 0.02 . 1 . . . . 122 ALA H . 17350 1 576 . 1 1 122 122 ALA C C 13 180.492 0.20 . 1 . . . . 122 ALA C . 17350 1 577 . 1 1 122 122 ALA CA C 13 54.450 0.20 . 1 . . . . 122 ALA CA . 17350 1 578 . 1 1 122 122 ALA CB C 13 17.811 0.20 . 1 . . . . 122 ALA CB . 17350 1 579 . 1 1 122 122 ALA N N 15 121.377 0.2 . 1 . . . . 122 ALA N . 17350 1 580 . 1 1 123 123 ALA H H 1 8.891 0.02 . 1 . . . . 123 ALA H . 17350 1 581 . 1 1 123 123 ALA C C 13 179.437 0.20 . 1 . . . . 123 ALA C . 17350 1 582 . 1 1 123 123 ALA CA C 13 55.978 0.20 . 1 . . . . 123 ALA CA . 17350 1 583 . 1 1 123 123 ALA CB C 13 18.358 0.20 . 1 . . . . 123 ALA CB . 17350 1 584 . 1 1 123 123 ALA N N 15 123.398 0.2 . 1 . . . . 123 ALA N . 17350 1 585 . 1 1 124 124 THR H H 1 8.312 0.02 . 1 . . . . 124 THR H . 17350 1 586 . 1 1 124 124 THR C C 13 175.768 0.20 . 1 . . . . 124 THR C . 17350 1 587 . 1 1 124 124 THR CA C 13 66.614 0.20 . 1 . . . . 124 THR CA . 17350 1 588 . 1 1 124 124 THR CB C 13 68.817 0.20 . 1 . . . . 124 THR CB . 17350 1 589 . 1 1 124 124 THR N N 15 116.200 0.2 . 1 . . . . 124 THR N . 17350 1 590 . 1 1 125 125 ALA H H 1 7.525 0.02 . 1 . . . . 125 ALA H . 17350 1 591 . 1 1 125 125 ALA C C 13 181.278 0.20 . 1 . . . . 125 ALA C . 17350 1 592 . 1 1 125 125 ALA CA C 13 55.252 0.20 . 1 . . . . 125 ALA CA . 17350 1 593 . 1 1 125 125 ALA CB C 13 17.612 0.20 . 1 . . . . 125 ALA CB . 17350 1 594 . 1 1 125 125 ALA N N 15 122.554 0.2 . 1 . . . . 125 ALA N . 17350 1 595 . 1 1 126 126 VAL H H 1 7.848 0.02 . 1 . . . . 126 VAL H . 17350 1 596 . 1 1 126 126 VAL C C 13 177.294 0.20 . 1 . . . . 126 VAL C . 17350 1 597 . 1 1 126 126 VAL CA C 13 66.753 0.20 . 1 . . . . 126 VAL CA . 17350 1 598 . 1 1 126 126 VAL CB C 13 30.788 0.20 . 1 . . . . 126 VAL CB . 17350 1 599 . 1 1 126 126 VAL N N 15 118.844 0.2 . 1 . . . . 126 VAL N . 17350 1 600 . 1 1 127 127 THR H H 1 8.380 0.02 . 1 . . . . 127 THR H . 17350 1 601 . 1 1 127 127 THR C C 13 176.531 0.20 . 1 . . . . 127 THR C . 17350 1 602 . 1 1 127 127 THR CA C 13 67.191 0.20 . 1 . . . . 127 THR CA . 17350 1 603 . 1 1 127 127 THR CB C 13 68.221 0.20 . 1 . . . . 127 THR CB . 17350 1 604 . 1 1 127 127 THR N N 15 116.616 0.2 . 1 . . . . 127 THR N . 17350 1 605 . 1 1 128 128 GLN H H 1 8.616 0.02 . 1 . . . . 128 GLN H . 17350 1 606 . 1 1 128 128 GLN C C 13 178.430 0.20 . 1 . . . . 128 GLN C . 17350 1 607 . 1 1 128 128 GLN CA C 13 59.249 0.20 . 1 . . . . 128 GLN CA . 17350 1 608 . 1 1 128 128 GLN CB C 13 28.099 0.20 . 1 . . . . 128 GLN CB . 17350 1 609 . 1 1 128 128 GLN N N 15 120.951 0.2 . 1 . . . . 128 GLN N . 17350 1 610 . 1 1 129 129 ALA H H 1 7.630 0.02 . 1 . . . . 129 ALA H . 17350 1 611 . 1 1 129 129 ALA C C 13 180.923 0.20 . 1 . . . . 129 ALA C . 17350 1 612 . 1 1 129 129 ALA CA C 13 54.953 0.20 . 1 . . . . 129 ALA CA . 17350 1 613 . 1 1 129 129 ALA CB C 13 17.172 0.20 . 1 . . . . 129 ALA CB . 17350 1 614 . 1 1 129 129 ALA N N 15 122.100 0.2 . 1 . . . . 129 ALA N . 17350 1 615 . 1 1 130 130 LEU H H 1 9.123 0.02 . 1 . . . . 130 LEU H . 17350 1 616 . 1 1 130 130 LEU C C 13 177.790 0.20 . 1 . . . . 130 LEU C . 17350 1 617 . 1 1 130 130 LEU CA C 13 57.958 0.20 . 1 . . . . 130 LEU CA . 17350 1 618 . 1 1 130 130 LEU CB C 13 42.428 0.20 . 1 . . . . 130 LEU CB . 17350 1 619 . 1 1 130 130 LEU N N 15 123.025 0.2 . 1 . . . . 130 LEU N . 17350 1 620 . 1 1 131 131 ASN H H 1 8.417 0.02 . 1 . . . . 131 ASN H . 17350 1 621 . 1 1 131 131 ASN C C 13 177.959 0.20 . 1 . . . . 131 ASN C . 17350 1 622 . 1 1 131 131 ASN CA C 13 56.197 0.20 . 1 . . . . 131 ASN CA . 17350 1 623 . 1 1 131 131 ASN CB C 13 37.631 0.20 . 1 . . . . 131 ASN CB . 17350 1 624 . 1 1 131 131 ASN N N 15 117.839 0.2 . 1 . . . . 131 ASN N . 17350 1 625 . 1 1 132 132 GLU H H 1 7.857 0.02 . 1 . . . . 132 GLU H . 17350 1 626 . 1 1 132 132 GLU C C 13 178.880 0.20 . 1 . . . . 132 GLU C . 17350 1 627 . 1 1 132 132 GLU CA C 13 59.690 0.20 . 1 . . . . 132 GLU CA . 17350 1 628 . 1 1 132 132 GLU CB C 13 29.215 0.20 . 1 . . . . 132 GLU CB . 17350 1 629 . 1 1 132 132 GLU N N 15 119.953 0.2 . 1 . . . . 132 GLU N . 17350 1 630 . 1 1 133 133 LEU H H 1 7.549 0.02 . 1 . . . . 133 LEU H . 17350 1 631 . 1 1 133 133 LEU C C 13 177.656 0.20 . 1 . . . . 133 LEU C . 17350 1 632 . 1 1 133 133 LEU CA C 13 58.746 0.20 . 1 . . . . 133 LEU CA . 17350 1 633 . 1 1 133 133 LEU CB C 13 41.535 0.20 . 1 . . . . 133 LEU CB . 17350 1 634 . 1 1 133 133 LEU N N 15 119.724 0.2 . 1 . . . . 133 LEU N . 17350 1 635 . 1 1 134 134 LEU H H 1 8.394 0.02 . 1 . . . . 134 LEU H . 17350 1 636 . 1 1 134 134 LEU C C 13 179.739 0.20 . 1 . . . . 134 LEU C . 17350 1 637 . 1 1 134 134 LEU CA C 13 57.472 0.20 . 1 . . . . 134 LEU CA . 17350 1 638 . 1 1 134 134 LEU CB C 13 40.568 0.20 . 1 . . . . 134 LEU CB . 17350 1 639 . 1 1 134 134 LEU N N 15 115.850 0.2 . 1 . . . . 134 LEU N . 17350 1 640 . 1 1 135 135 GLN H H 1 8.083 0.02 . 1 . . . . 135 GLN H . 17350 1 641 . 1 1 135 135 GLN C C 13 177.172 0.20 . 1 . . . . 135 GLN C . 17350 1 642 . 1 1 135 135 GLN CA C 13 57.761 0.20 . 1 . . . . 135 GLN CA . 17350 1 643 . 1 1 135 135 GLN CB C 13 28.075 0.20 . 1 . . . . 135 GLN CB . 17350 1 644 . 1 1 135 135 GLN N N 15 117.706 0.2 . 1 . . . . 135 GLN N . 17350 1 645 . 1 1 136 136 HIS H H 1 7.653 0.02 . 1 . . . . 136 HIS H . 17350 1 646 . 1 1 136 136 HIS C C 13 174.837 0.20 . 1 . . . . 136 HIS C . 17350 1 647 . 1 1 136 136 HIS CA C 13 57.968 0.20 . 1 . . . . 136 HIS CA . 17350 1 648 . 1 1 136 136 HIS CB C 13 30.166 0.20 . 1 . . . . 136 HIS CB . 17350 1 649 . 1 1 136 136 HIS N N 15 115.471 0.2 . 1 . . . . 136 HIS N . 17350 1 650 . 1 1 137 137 VAL H H 1 7.285 0.02 . 1 . . . . 137 VAL H . 17350 1 651 . 1 1 137 137 VAL C C 13 173.624 0.20 . 1 . . . . 137 VAL C . 17350 1 652 . 1 1 137 137 VAL CA C 13 62.347 0.20 . 1 . . . . 137 VAL CA . 17350 1 653 . 1 1 137 137 VAL CB C 13 31.936 0.20 . 1 . . . . 137 VAL CB . 17350 1 654 . 1 1 137 137 VAL N N 15 114.215 0.2 . 1 . . . . 137 VAL N . 17350 1 655 . 1 1 138 138 LYS H H 1 7.245 0.02 . 1 . . . . 138 LYS H . 17350 1 656 . 1 1 138 138 LYS CA C 13 57.631 0.20 . 1 . . . . 138 LYS CA . 17350 1 657 . 1 1 138 138 LYS CB C 13 33.504 0.20 . 1 . . . . 138 LYS CB . 17350 1 658 . 1 1 138 138 LYS N N 15 125.422 0.2 . 1 . . . . 138 LYS N . 17350 1 stop_ save_