data_15926 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15926 _Entry.Title ; N-terminal domain of the Bacillus subtilis helicase-loading protein DnaI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-19 _Entry.Accession_date 2008-08-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The helicase loader protein DnaI (the Bacillus subtilis homologue of Escherichia coli DnaC) is required to load the hexameric helicase DnaC (the B. subtilis homologue of E. coli DnaB) onto DNA at the start of replication' _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 Karin Loscha N. V. . 15926 2 Kristaps Jaudzems . . . 15926 3 Charikleia Ioannou . . . 15926 4 Xun-Cheng Su . . . 15926 5 Nicholas Dixon . E. . 15926 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15926 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Latvian Institute of Organic Synthesis' . 15926 2 . 'The Australian National University' . 15926 3 . 'University of Wollongong' . 15926 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DnaI N-terminal domain' . 15926 'helicase-loading protein' . 15926 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15926 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 114 15926 '1H chemical shifts' 771 15926 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 3 . . 2010-05-27 2008-08-19 update BMRB 'update entity/assembly name' 15926 2 . . 2009-05-05 2008-08-19 update BMRB 'complete entry citation' 15926 1 . . 2009-04-04 2008-08-19 original author 'original release' 15926 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K7R 'BMRB Entry Tracking System' 15926 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15926 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19255093 _Citation.Full_citation . _Citation.Title 'A novel zinc-binding fold in the helicase interaction domain of the Bacillus subtilis DnaI helicase loader' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 7 _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 2395 _Citation.Page_last 2404 _Citation.Year 2009 _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 Karin Loscha . V. . 15926 1 2 Kristaps Jaudzems . . . 15926 1 3 Charikleia Ioannou . . . 15926 1 4 Xun-Cheng Su . . . 15926 1 5 Flynn Hill . R. . 15926 1 6 Gottfried Otting . . . 15926 1 7 Nicholas Dixon . E. . 15926 1 8 Edvards Liepinsh . . . 15926 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DnaI N-terminal domain' 15926 1 'helicase-loading protein' 15926 1 'NMR structure' 15926 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15926 _Assembly.ID 1 _Assembly.Name 'DnaI N-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DnaI N-domain' 1 $entity_1 A . yes native no no . . . 15926 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 15926 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 entity_1 1 CYS 67 67 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 15926 1 2 coordination single . 1 entity_1 1 CYS 70 70 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 15926 1 3 coordination single . 1 entity_1 1 HIS 84 84 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 15926 1 4 coordination single . 1 entity_1 1 CYS 101 101 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . . . . . . . . . 15926 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 84 84 HE2 . 84 HIS HE2 15926 1 . . 1 1 CYS 101 101 HG . 101 CYS HG 15926 1 . . 1 1 CYS 67 67 HG . 67 CYS HG 15926 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 15926 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15926 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaI N-domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEPIGRSLQGVTGRPDFQKR LEQMKEKVMKDQDVQAFLKE NEEVIDQKMIEKSLNKLYEY IEQSKNCSYCSEDENCNNLL EGYHPKLVVNGRSIDIEYYE CPVKRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of the Bacillus subtilis helicase-loading protein DnaI' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12543.353 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K7R . "N-Terminal Domain Of The Bacillus Subtilis Helicase-Loading Protein Dnai" . . . . . 100.00 106 100.00 100.00 1.02e-69 . . . . 15926 1 2 no PDB 4M4W . "Mechanistic Implications For The Bacterial Primosome Assembly Of The Structure Of A Helicase-helicase Loader Complex" . . . . . 100.00 317 100.00 100.00 3.40e-69 . . . . 15926 1 3 no DBJ BAI86406 . "primosomal protein DnaI [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 311 100.00 100.00 3.68e-69 . . . . 15926 1 4 no DBJ BAM54146 . "primosomal protein DnaI [Bacillus subtilis BEST7613]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 5 no DBJ BAM58975 . "primosomal protein DnaI [Bacillus subtilis BEST7003]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 6 no DBJ GAK79927 . "primosomal protein DnaI [Bacillus subtilis Miyagi-4]" . . . . . 100.00 311 100.00 100.00 3.68e-69 . . . . 15926 1 7 no EMBL CAA28633 . "unnamed protein product [Bacillus subtilis]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 8 no EMBL CAA99605 . "replication protein [Bacillus subtilis]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 9 no EMBL CAB14858 . "helicase loader [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 10 no EMBL CCU59399 . "Helicase loader DnaI [Bacillus subtilis E1]" . . . . . 100.00 311 100.00 100.00 3.93e-69 . . . . 15926 1 11 no EMBL CEI58128 . "primosomal protein DnaI [Bacillus subtilis]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 12 no GB AAA22405 . "ORFY, partial [Bacillus subtilis]" . . . . . 100.00 207 98.11 98.11 3.57e-68 . . . . 15926 1 13 no GB AAC00359 . "DnaI [Bacillus subtilis]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 14 no GB ADV93692 . "primosomal protein DnaI [Bacillus subtilis BSn5]" . . . . . 100.00 311 100.00 100.00 3.68e-69 . . . . 15926 1 15 no GB AEP91897 . "primosomal protein DnaI [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 311 97.17 98.11 1.78e-67 . . . . 15926 1 16 no GB AFI29422 . "primosomal protein DnaI [Bacillus sp. JS]" . . . . . 100.00 311 99.06 100.00 6.12e-69 . . . . 15926 1 17 no REF NP_390776 . "primosomal protein DnaI [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 18 no REF WP_003229466 . "MULTISPECIES: primosomal protein DnaI [Bacillus]" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 19 no REF WP_014477627 . "primosomal protein DnaI [Bacillus subtilis]" . . . . . 100.00 311 97.17 98.11 1.78e-67 . . . . 15926 1 20 no REF WP_014480531 . "MULTISPECIES: primosomal protein DnaI [Bacillus]" . . . . . 100.00 311 100.00 100.00 3.68e-69 . . . . 15926 1 21 no REF WP_014664931 . "primosomal protein DnaI [Bacillus sp. JS]" . . . . . 100.00 311 99.06 100.00 6.12e-69 . . . . 15926 1 22 no SP P06567 . "RecName: Full=Primosomal protein DnaI" . . . . . 100.00 311 100.00 100.00 3.30e-69 . . . . 15926 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID helicase-loader 15926 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15926 1 2 . GLU . 15926 1 3 . PRO . 15926 1 4 . ILE . 15926 1 5 . GLY . 15926 1 6 . ARG . 15926 1 7 . SER . 15926 1 8 . LEU . 15926 1 9 . GLN . 15926 1 10 . GLY . 15926 1 11 . VAL . 15926 1 12 . THR . 15926 1 13 . GLY . 15926 1 14 . ARG . 15926 1 15 . PRO . 15926 1 16 . ASP . 15926 1 17 . PHE . 15926 1 18 . GLN . 15926 1 19 . LYS . 15926 1 20 . ARG . 15926 1 21 . LEU . 15926 1 22 . GLU . 15926 1 23 . GLN . 15926 1 24 . MET . 15926 1 25 . LYS . 15926 1 26 . GLU . 15926 1 27 . LYS . 15926 1 28 . VAL . 15926 1 29 . MET . 15926 1 30 . LYS . 15926 1 31 . ASP . 15926 1 32 . GLN . 15926 1 33 . ASP . 15926 1 34 . VAL . 15926 1 35 . GLN . 15926 1 36 . ALA . 15926 1 37 . PHE . 15926 1 38 . LEU . 15926 1 39 . LYS . 15926 1 40 . GLU . 15926 1 41 . ASN . 15926 1 42 . GLU . 15926 1 43 . GLU . 15926 1 44 . VAL . 15926 1 45 . ILE . 15926 1 46 . ASP . 15926 1 47 . GLN . 15926 1 48 . LYS . 15926 1 49 . MET . 15926 1 50 . ILE . 15926 1 51 . GLU . 15926 1 52 . LYS . 15926 1 53 . SER . 15926 1 54 . LEU . 15926 1 55 . ASN . 15926 1 56 . LYS . 15926 1 57 . LEU . 15926 1 58 . TYR . 15926 1 59 . GLU . 15926 1 60 . TYR . 15926 1 61 . ILE . 15926 1 62 . GLU . 15926 1 63 . GLN . 15926 1 64 . SER . 15926 1 65 . LYS . 15926 1 66 . ASN . 15926 1 67 . CYS . 15926 1 68 . SER . 15926 1 69 . TYR . 15926 1 70 . CYS . 15926 1 71 . SER . 15926 1 72 . GLU . 15926 1 73 . ASP . 15926 1 74 . GLU . 15926 1 75 . ASN . 15926 1 76 . CYS . 15926 1 77 . ASN . 15926 1 78 . ASN . 15926 1 79 . LEU . 15926 1 80 . LEU . 15926 1 81 . GLU . 15926 1 82 . GLY . 15926 1 83 . TYR . 15926 1 84 . HIS . 15926 1 85 . PRO . 15926 1 86 . LYS . 15926 1 87 . LEU . 15926 1 88 . VAL . 15926 1 89 . VAL . 15926 1 90 . ASN . 15926 1 91 . GLY . 15926 1 92 . ARG . 15926 1 93 . SER . 15926 1 94 . ILE . 15926 1 95 . ASP . 15926 1 96 . ILE . 15926 1 97 . GLU . 15926 1 98 . TYR . 15926 1 99 . TYR . 15926 1 100 . GLU . 15926 1 101 . CYS . 15926 1 102 . PRO . 15926 1 103 . VAL . 15926 1 104 . LYS . 15926 1 105 . ARG . 15926 1 106 . LYS . 15926 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15926 1 . GLU 2 2 15926 1 . PRO 3 3 15926 1 . ILE 4 4 15926 1 . GLY 5 5 15926 1 . ARG 6 6 15926 1 . SER 7 7 15926 1 . LEU 8 8 15926 1 . GLN 9 9 15926 1 . GLY 10 10 15926 1 . VAL 11 11 15926 1 . THR 12 12 15926 1 . GLY 13 13 15926 1 . ARG 14 14 15926 1 . PRO 15 15 15926 1 . ASP 16 16 15926 1 . PHE 17 17 15926 1 . GLN 18 18 15926 1 . LYS 19 19 15926 1 . ARG 20 20 15926 1 . LEU 21 21 15926 1 . GLU 22 22 15926 1 . GLN 23 23 15926 1 . MET 24 24 15926 1 . LYS 25 25 15926 1 . GLU 26 26 15926 1 . LYS 27 27 15926 1 . VAL 28 28 15926 1 . MET 29 29 15926 1 . LYS 30 30 15926 1 . ASP 31 31 15926 1 . GLN 32 32 15926 1 . ASP 33 33 15926 1 . VAL 34 34 15926 1 . GLN 35 35 15926 1 . ALA 36 36 15926 1 . PHE 37 37 15926 1 . LEU 38 38 15926 1 . LYS 39 39 15926 1 . GLU 40 40 15926 1 . ASN 41 41 15926 1 . GLU 42 42 15926 1 . GLU 43 43 15926 1 . VAL 44 44 15926 1 . ILE 45 45 15926 1 . ASP 46 46 15926 1 . GLN 47 47 15926 1 . LYS 48 48 15926 1 . MET 49 49 15926 1 . ILE 50 50 15926 1 . GLU 51 51 15926 1 . LYS 52 52 15926 1 . SER 53 53 15926 1 . LEU 54 54 15926 1 . ASN 55 55 15926 1 . LYS 56 56 15926 1 . LEU 57 57 15926 1 . TYR 58 58 15926 1 . GLU 59 59 15926 1 . TYR 60 60 15926 1 . ILE 61 61 15926 1 . GLU 62 62 15926 1 . GLN 63 63 15926 1 . SER 64 64 15926 1 . LYS 65 65 15926 1 . ASN 66 66 15926 1 . CYS 67 67 15926 1 . SER 68 68 15926 1 . TYR 69 69 15926 1 . CYS 70 70 15926 1 . SER 71 71 15926 1 . GLU 72 72 15926 1 . ASP 73 73 15926 1 . GLU 74 74 15926 1 . ASN 75 75 15926 1 . CYS 76 76 15926 1 . ASN 77 77 15926 1 . ASN 78 78 15926 1 . LEU 79 79 15926 1 . LEU 80 80 15926 1 . GLU 81 81 15926 1 . GLY 82 82 15926 1 . TYR 83 83 15926 1 . HIS 84 84 15926 1 . PRO 85 85 15926 1 . LYS 86 86 15926 1 . LEU 87 87 15926 1 . VAL 88 88 15926 1 . VAL 89 89 15926 1 . ASN 90 90 15926 1 . GLY 91 91 15926 1 . ARG 92 92 15926 1 . SER 93 93 15926 1 . ILE 94 94 15926 1 . ASP 95 95 15926 1 . ILE 96 96 15926 1 . GLU 97 97 15926 1 . TYR 98 98 15926 1 . TYR 99 99 15926 1 . GLU 100 100 15926 1 . CYS 101 101 15926 1 . PRO 102 102 15926 1 . VAL 103 103 15926 1 . LYS 104 104 15926 1 . ARG 105 105 15926 1 . LYS 106 106 15926 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15926 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 15926 2 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 15926 _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 $entity_1 . 1423 plasmid . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15926 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 15926 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pKL1272 . . . . . . 15926 1 2 2 $ZN . 'obtained from a vendor' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 15926 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15926 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code ZN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.01 15926 ZN [Zn++] SMILES CACTVS 3.341 15926 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15926 ZN [Zn+2] SMILES ACDLabs 10.04 15926 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15926 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15926 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15926 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15926 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15926 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15926 _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 entity_1 '[U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 15926 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 0.5 . . mM 0.05 . . . 15926 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % 0.5 . . . 15926 1 4 H2O 'natural abundance' . . . . . . 90 . . % 0.5 . . . 15926 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 15926 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.01 . . . 15926 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 15926 1 8 DTT 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 15926 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 15926 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.05 M 15926 1 pH 7.0 0.1 pH 15926 1 pressure 1 . atm 15926 1 temperature 298.15 0.1 K 15926 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15926 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15926 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15926 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15926 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15926 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15926 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15926 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15926 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15926 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15926 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15926 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15926 4 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15926 _Software.ID 5 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 15926 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15926 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15926 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15926 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15926 6 'peak picking' 15926 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15926 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15926 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15926 7 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 15926 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15926 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI cryoprobes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15926 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'TCI cryoprobes' . . 15926 1 2 spectrometer_2 Bruker Avance . 600 'TCI cryoprobes' . . 15926 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 15926 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 2 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15926 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15926 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 15926 _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 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 15926 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 15926 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 15926 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 15926 1 2 '3D HNHA' . . . 15926 1 4 '2D DQF-COSY' . . . 15926 1 5 '2D 1H-1H TOCSY' . . . 15926 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 1 1 MET HA H 1 3.979 0.020 . 1 . . . . 1 MET HA . 15926 1 2 . 1 1 1 1 MET HB2 H 1 2.071 0.020 . 2 . . . . 1 MET HB2 . 15926 1 3 . 1 1 1 1 MET HB3 H 1 2.071 0.020 . 2 . . . . 1 MET HB3 . 15926 1 4 . 1 1 1 1 MET HG2 H 1 2.576 0.020 . 2 . . . . 1 MET HG2 . 15926 1 5 . 1 1 1 1 MET HG3 H 1 2.576 0.020 . 2 . . . . 1 MET HG3 . 15926 1 6 . 1 1 2 2 GLU HA H 1 4.671 0.020 . 1 . . . . 2 GLU HA . 15926 1 7 . 1 1 2 2 GLU HB2 H 1 2.026 0.020 . 2 . . . . 2 GLU HB2 . 15926 1 8 . 1 1 2 2 GLU HB3 H 1 2.089 0.020 . 2 . . . . 2 GLU HB3 . 15926 1 9 . 1 1 2 2 GLU HG2 H 1 2.357 0.020 . 2 . . . . 2 GLU HG2 . 15926 1 10 . 1 1 2 2 GLU HG3 H 1 2.357 0.020 . 2 . . . . 2 GLU HG3 . 15926 1 11 . 1 1 3 3 PRO HA H 1 4.473 0.020 . 1 . . . . 3 PRO HA . 15926 1 12 . 1 1 3 3 PRO HB2 H 1 2.068 0.020 . 2 . . . . 3 PRO HB2 . 15926 1 13 . 1 1 3 3 PRO HB3 H 1 2.289 0.020 . 2 . . . . 3 PRO HB3 . 15926 1 14 . 1 1 3 3 PRO HD2 H 1 3.719 0.020 . 2 . . . . 3 PRO HD2 . 15926 1 15 . 1 1 3 3 PRO HD3 H 1 3.849 0.020 . 2 . . . . 3 PRO HD3 . 15926 1 16 . 1 1 3 3 PRO HG2 H 1 1.922 0.020 . 2 . . . . 3 PRO HG2 . 15926 1 17 . 1 1 3 3 PRO HG3 H 1 2.038 0.020 . 2 . . . . 3 PRO HG3 . 15926 1 18 . 1 1 4 4 ILE H H 1 8.270 0.020 . 1 . . . . 4 ILE H . 15926 1 19 . 1 1 4 4 ILE HA H 1 4.156 0.020 . 1 . . . . 4 ILE HA . 15926 1 20 . 1 1 4 4 ILE HB H 1 1.878 0.020 . 1 . . . . 4 ILE HB . 15926 1 21 . 1 1 4 4 ILE HD11 H 1 0.896 0.020 . 1 . . . . 4 ILE HD1 . 15926 1 22 . 1 1 4 4 ILE HD12 H 1 0.896 0.020 . 1 . . . . 4 ILE HD1 . 15926 1 23 . 1 1 4 4 ILE HD13 H 1 0.896 0.020 . 1 . . . . 4 ILE HD1 . 15926 1 24 . 1 1 4 4 ILE HG12 H 1 1.238 0.020 . 2 . . . . 4 ILE HG12 . 15926 1 25 . 1 1 4 4 ILE HG13 H 1 1.536 0.020 . 2 . . . . 4 ILE HG13 . 15926 1 26 . 1 1 4 4 ILE HG21 H 1 0.949 0.020 . 1 . . . . 4 ILE HG2 . 15926 1 27 . 1 1 4 4 ILE HG22 H 1 0.949 0.020 . 1 . . . . 4 ILE HG2 . 15926 1 28 . 1 1 4 4 ILE HG23 H 1 0.949 0.020 . 1 . . . . 4 ILE HG2 . 15926 1 29 . 1 1 4 4 ILE N N 15 121.501 0.400 . 1 . . . . 4 ILE N . 15926 1 30 . 1 1 5 5 GLY H H 1 8.516 0.020 . 1 . . . . 5 GLY H . 15926 1 31 . 1 1 5 5 GLY HA2 H 1 3.952 0.020 . 2 . . . . 5 GLY HA2 . 15926 1 32 . 1 1 5 5 GLY HA3 H 1 3.992 0.020 . 2 . . . . 5 GLY HA3 . 15926 1 33 . 1 1 5 5 GLY N N 15 112.831 0.400 . 1 . . . . 5 GLY N . 15926 1 34 . 1 1 6 6 ARG H H 1 8.197 0.020 . 1 . . . . 6 ARG H . 15926 1 35 . 1 1 6 6 ARG HA H 1 4.383 0.020 . 1 . . . . 6 ARG HA . 15926 1 36 . 1 1 6 6 ARG HB2 H 1 1.783 0.020 . 2 . . . . 6 ARG HB2 . 15926 1 37 . 1 1 6 6 ARG HB3 H 1 1.899 0.020 . 2 . . . . 6 ARG HB3 . 15926 1 38 . 1 1 6 6 ARG HD2 H 1 3.229 0.020 . 2 . . . . 6 ARG HD2 . 15926 1 39 . 1 1 6 6 ARG HD3 H 1 3.229 0.020 . 2 . . . . 6 ARG HD3 . 15926 1 40 . 1 1 6 6 ARG HG2 H 1 1.655 0.020 . 2 . . . . 6 ARG HG2 . 15926 1 41 . 1 1 6 6 ARG HG3 H 1 1.655 0.020 . 2 . . . . 6 ARG HG3 . 15926 1 42 . 1 1 6 6 ARG N N 15 121.014 0.400 . 1 . . . . 6 ARG N . 15926 1 43 . 1 1 7 7 SER H H 1 8.400 0.020 . 1 . . . . 7 SER H . 15926 1 44 . 1 1 7 7 SER HA H 1 4.472 0.020 . 1 . . . . 7 SER HA . 15926 1 45 . 1 1 7 7 SER HB2 H 1 3.900 0.020 . 2 . . . . 7 SER HB2 . 15926 1 46 . 1 1 7 7 SER HB3 H 1 3.900 0.020 . 2 . . . . 7 SER HB3 . 15926 1 47 . 1 1 7 7 SER N N 15 116.921 0.400 . 1 . . . . 7 SER N . 15926 1 48 . 1 1 8 8 LEU H H 1 8.376 0.020 . 1 . . . . 8 LEU H . 15926 1 49 . 1 1 8 8 LEU HA H 1 4.390 0.020 . 1 . . . . 8 LEU HA . 15926 1 50 . 1 1 8 8 LEU HB2 H 1 1.643 0.020 . 2 . . . . 8 LEU HB2 . 15926 1 51 . 1 1 8 8 LEU HB3 H 1 1.668 0.020 . 2 . . . . 8 LEU HB3 . 15926 1 52 . 1 1 8 8 LEU HD11 H 1 0.871 0.020 . 2 . . . . 8 LEU HD1 . 15926 1 53 . 1 1 8 8 LEU HD12 H 1 0.871 0.020 . 2 . . . . 8 LEU HD1 . 15926 1 54 . 1 1 8 8 LEU HD13 H 1 0.871 0.020 . 2 . . . . 8 LEU HD1 . 15926 1 55 . 1 1 8 8 LEU HD21 H 1 0.911 0.020 . 2 . . . . 8 LEU HD2 . 15926 1 56 . 1 1 8 8 LEU HD22 H 1 0.911 0.020 . 2 . . . . 8 LEU HD2 . 15926 1 57 . 1 1 8 8 LEU HD23 H 1 0.911 0.020 . 2 . . . . 8 LEU HD2 . 15926 1 58 . 1 1 8 8 LEU HG H 1 1.644 0.020 . 1 . . . . 8 LEU HG . 15926 1 59 . 1 1 8 8 LEU N N 15 124.394 0.400 . 1 . . . . 8 LEU N . 15926 1 60 . 1 1 9 9 GLN H H 1 8.292 0.020 . 1 . . . . 9 GLN H . 15926 1 61 . 1 1 9 9 GLN HA H 1 4.323 0.020 . 1 . . . . 9 GLN HA . 15926 1 62 . 1 1 9 9 GLN HB2 H 1 2.030 0.020 . 2 . . . . 9 GLN HB2 . 15926 1 63 . 1 1 9 9 GLN HB3 H 1 2.128 0.020 . 2 . . . . 9 GLN HB3 . 15926 1 64 . 1 1 9 9 GLN HE21 H 1 7.535 0.020 . 2 . . . . 9 GLN HE21 . 15926 1 65 . 1 1 9 9 GLN HE22 H 1 6.877 0.020 . 2 . . . . 9 GLN HE22 . 15926 1 66 . 1 1 9 9 GLN HG2 H 1 2.397 0.020 . 2 . . . . 9 GLN HG2 . 15926 1 67 . 1 1 9 9 GLN HG3 H 1 2.397 0.020 . 2 . . . . 9 GLN HG3 . 15926 1 68 . 1 1 9 9 GLN N N 15 120.593 0.400 . 1 . . . . 9 GLN N . 15926 1 69 . 1 1 9 9 GLN NE2 N 15 112.685 0.400 . 1 . . . . 9 GLN NE2 . 15926 1 70 . 1 1 10 10 GLY H H 1 8.417 0.020 . 1 . . . . 10 GLY H . 15926 1 71 . 1 1 10 10 GLY HA2 H 1 3.992 0.020 . 2 . . . . 10 GLY HA2 . 15926 1 72 . 1 1 10 10 GLY HA3 H 1 3.992 0.020 . 2 . . . . 10 GLY HA3 . 15926 1 73 . 1 1 10 10 GLY N N 15 110.179 0.400 . 1 . . . . 10 GLY N . 15926 1 74 . 1 1 11 11 VAL H H 1 8.040 0.020 . 1 . . . . 11 VAL H . 15926 1 75 . 1 1 11 11 VAL HA H 1 4.208 0.020 . 1 . . . . 11 VAL HA . 15926 1 76 . 1 1 11 11 VAL HB H 1 2.141 0.020 . 1 . . . . 11 VAL HB . 15926 1 77 . 1 1 11 11 VAL HG11 H 1 0.947 0.020 . 2 . . . . 11 VAL HG1 . 15926 1 78 . 1 1 11 11 VAL HG12 H 1 0.947 0.020 . 2 . . . . 11 VAL HG1 . 15926 1 79 . 1 1 11 11 VAL HG13 H 1 0.947 0.020 . 2 . . . . 11 VAL HG1 . 15926 1 80 . 1 1 11 11 VAL HG21 H 1 0.947 0.020 . 2 . . . . 11 VAL HG2 . 15926 1 81 . 1 1 11 11 VAL HG22 H 1 0.947 0.020 . 2 . . . . 11 VAL HG2 . 15926 1 82 . 1 1 11 11 VAL HG23 H 1 0.947 0.020 . 2 . . . . 11 VAL HG2 . 15926 1 83 . 1 1 11 11 VAL N N 15 119.334 0.400 . 1 . . . . 11 VAL N . 15926 1 84 . 1 1 12 12 THR H H 1 8.210 0.020 . 1 . . . . 12 THR H . 15926 1 85 . 1 1 12 12 THR HA H 1 4.285 0.020 . 1 . . . . 12 THR HA . 15926 1 86 . 1 1 12 12 THR HB H 1 4.218 0.020 . 1 . . . . 12 THR HB . 15926 1 87 . 1 1 12 12 THR HG21 H 1 1.214 0.020 . 1 . . . . 12 THR HG2 . 15926 1 88 . 1 1 12 12 THR HG22 H 1 1.214 0.020 . 1 . . . . 12 THR HG2 . 15926 1 89 . 1 1 12 12 THR HG23 H 1 1.214 0.020 . 1 . . . . 12 THR HG2 . 15926 1 90 . 1 1 12 12 THR N N 15 117.160 0.400 . 1 . . . . 12 THR N . 15926 1 91 . 1 1 13 13 GLY H H 1 8.388 0.020 . 1 . . . . 13 GLY H . 15926 1 92 . 1 1 13 13 GLY HA2 H 1 3.988 0.020 . 2 . . . . 13 GLY HA2 . 15926 1 93 . 1 1 13 13 GLY HA3 H 1 4.027 0.020 . 2 . . . . 13 GLY HA3 . 15926 1 94 . 1 1 13 13 GLY N N 15 111.151 0.400 . 1 . . . . 13 GLY N . 15926 1 95 . 1 1 14 14 ARG H H 1 8.169 0.020 . 1 . . . . 14 ARG H . 15926 1 96 . 1 1 14 14 ARG HA H 1 4.668 0.020 . 1 . . . . 14 ARG HA . 15926 1 97 . 1 1 14 14 ARG HB2 H 1 1.795 0.020 . 2 . . . . 14 ARG HB2 . 15926 1 98 . 1 1 14 14 ARG HB3 H 1 1.920 0.020 . 2 . . . . 14 ARG HB3 . 15926 1 99 . 1 1 14 14 ARG HD2 H 1 3.222 0.020 . 2 . . . . 14 ARG HD2 . 15926 1 100 . 1 1 14 14 ARG HD3 H 1 3.222 0.020 . 2 . . . . 14 ARG HD3 . 15926 1 101 . 1 1 14 14 ARG HG2 H 1 1.645 0.020 . 2 . . . . 14 ARG HG2 . 15926 1 102 . 1 1 14 14 ARG HG3 H 1 1.695 0.020 . 2 . . . . 14 ARG HG3 . 15926 1 103 . 1 1 14 14 ARG N N 15 121.499 0.400 . 1 . . . . 14 ARG N . 15926 1 104 . 1 1 15 15 PRO HA H 1 4.426 0.020 . 1 . . . . 15 PRO HA . 15926 1 105 . 1 1 15 15 PRO HB2 H 1 1.808 0.020 . 2 . . . . 15 PRO HB2 . 15926 1 106 . 1 1 15 15 PRO HB3 H 1 2.281 0.020 . 2 . . . . 15 PRO HB3 . 15926 1 107 . 1 1 15 15 PRO HD2 H 1 3.691 0.020 . 1 . . . . 15 PRO HD2 . 15926 1 108 . 1 1 15 15 PRO HD3 H 1 3.849 0.020 . 1 . . . . 15 PRO HD3 . 15926 1 109 . 1 1 15 15 PRO HG2 H 1 2.028 0.020 . 2 . . . . 15 PRO HG2 . 15926 1 110 . 1 1 15 15 PRO HG3 H 1 2.028 0.020 . 2 . . . . 15 PRO HG3 . 15926 1 111 . 1 1 16 16 ASP H H 1 8.475 0.020 . 1 . . . . 16 ASP H . 15926 1 112 . 1 1 16 16 ASP HA H 1 4.556 0.020 . 1 . . . . 16 ASP HA . 15926 1 113 . 1 1 16 16 ASP HB2 H 1 2.734 0.020 . 2 . . . . 16 ASP HB2 . 15926 1 114 . 1 1 16 16 ASP HB3 H 1 2.734 0.020 . 2 . . . . 16 ASP HB3 . 15926 1 115 . 1 1 16 16 ASP N N 15 119.586 0.400 . 1 . . . . 16 ASP N . 15926 1 116 . 1 1 17 17 PHE H H 1 8.179 0.020 . 1 . . . . 17 PHE H . 15926 1 117 . 1 1 17 17 PHE HA H 1 4.366 0.020 . 1 . . . . 17 PHE HA . 15926 1 118 . 1 1 17 17 PHE HB2 H 1 3.207 0.020 . 2 . . . . 17 PHE HB2 . 15926 1 119 . 1 1 17 17 PHE HB3 H 1 3.207 0.020 . 2 . . . . 17 PHE HB3 . 15926 1 120 . 1 1 17 17 PHE HD1 H 1 7.261 0.020 . 1 . . . . 17 PHE HD1 . 15926 1 121 . 1 1 17 17 PHE HD2 H 1 7.261 0.020 . 1 . . . . 17 PHE HD2 . 15926 1 122 . 1 1 17 17 PHE HE1 H 1 7.365 0.020 . 1 . . . . 17 PHE HE1 . 15926 1 123 . 1 1 17 17 PHE HE2 H 1 7.365 0.020 . 1 . . . . 17 PHE HE2 . 15926 1 124 . 1 1 17 17 PHE HZ H 1 7.333 0.020 . 1 . . . . 17 PHE HZ . 15926 1 125 . 1 1 17 17 PHE N N 15 121.747 0.400 . 1 . . . . 17 PHE N . 15926 1 126 . 1 1 18 18 GLN H H 1 8.200 0.020 . 1 . . . . 18 GLN H . 15926 1 127 . 1 1 18 18 GLN HA H 1 3.998 0.020 . 1 . . . . 18 GLN HA . 15926 1 128 . 1 1 18 18 GLN HB2 H 1 2.122 0.020 . 2 . . . . 18 GLN HB2 . 15926 1 129 . 1 1 18 18 GLN HB3 H 1 2.122 0.020 . 2 . . . . 18 GLN HB3 . 15926 1 130 . 1 1 18 18 GLN HE21 H 1 6.902 0.020 . 2 . . . . 18 GLN HE21 . 15926 1 131 . 1 1 18 18 GLN HE22 H 1 7.691 0.020 . 2 . . . . 18 GLN HE22 . 15926 1 132 . 1 1 18 18 GLN HG2 H 1 2.403 0.020 . 2 . . . . 18 GLN HG2 . 15926 1 133 . 1 1 18 18 GLN HG3 H 1 2.403 0.020 . 2 . . . . 18 GLN HG3 . 15926 1 134 . 1 1 18 18 GLN N N 15 119.816 0.400 . 1 . . . . 18 GLN N . 15926 1 135 . 1 1 18 18 GLN NE2 N 15 112.494 0.400 . 1 . . . . 18 GLN NE2 . 15926 1 136 . 1 1 19 19 LYS H H 1 7.986 0.020 . 1 . . . . 19 LYS H . 15926 1 137 . 1 1 19 19 LYS HA H 1 4.126 0.020 . 1 . . . . 19 LYS HA . 15926 1 138 . 1 1 19 19 LYS HB2 H 1 1.866 0.020 . 1 . . . . 19 LYS HB2 . 15926 1 139 . 1 1 19 19 LYS HB3 H 1 1.740 0.020 . 1 . . . . 19 LYS HB3 . 15926 1 140 . 1 1 19 19 LYS HD2 H 1 1.696 0.020 . 2 . . . . 19 LYS HD2 . 15926 1 141 . 1 1 19 19 LYS HD3 H 1 1.696 0.020 . 2 . . . . 19 LYS HD3 . 15926 1 142 . 1 1 19 19 LYS HE2 H 1 2.998 0.020 . 2 . . . . 19 LYS HE2 . 15926 1 143 . 1 1 19 19 LYS HE3 H 1 2.998 0.020 . 2 . . . . 19 LYS HE3 . 15926 1 144 . 1 1 19 19 LYS HG2 H 1 1.433 0.020 . 2 . . . . 19 LYS HG2 . 15926 1 145 . 1 1 19 19 LYS HG3 H 1 1.516 0.020 . 2 . . . . 19 LYS HG3 . 15926 1 146 . 1 1 19 19 LYS N N 15 120.081 0.400 . 1 . . . . 19 LYS N . 15926 1 147 . 1 1 20 20 ARG H H 1 7.918 0.020 . 1 . . . . 20 ARG H . 15926 1 148 . 1 1 20 20 ARG HA H 1 4.125 0.020 . 1 . . . . 20 ARG HA . 15926 1 149 . 1 1 20 20 ARG HB2 H 1 1.865 0.020 . 2 . . . . 20 ARG HB2 . 15926 1 150 . 1 1 20 20 ARG HB3 H 1 1.865 0.020 . 2 . . . . 20 ARG HB3 . 15926 1 151 . 1 1 20 20 ARG HD2 H 1 3.196 0.020 . 2 . . . . 20 ARG HD2 . 15926 1 152 . 1 1 20 20 ARG HD3 H 1 3.196 0.020 . 2 . . . . 20 ARG HD3 . 15926 1 153 . 1 1 20 20 ARG HG2 H 1 1.590 0.020 . 2 . . . . 20 ARG HG2 . 15926 1 154 . 1 1 20 20 ARG HG3 H 1 1.671 0.020 . 2 . . . . 20 ARG HG3 . 15926 1 155 . 1 1 20 20 ARG N N 15 118.851 0.400 . 1 . . . . 20 ARG N . 15926 1 156 . 1 1 21 21 LEU H H 1 7.954 0.020 . 1 . . . . 21 LEU H . 15926 1 157 . 1 1 21 21 LEU HA H 1 4.127 0.020 . 1 . . . . 21 LEU HA . 15926 1 158 . 1 1 21 21 LEU HB2 H 1 1.859 0.020 . 1 . . . . 21 LEU HB2 . 15926 1 159 . 1 1 21 21 LEU HB3 H 1 1.682 0.020 . 1 . . . . 21 LEU HB3 . 15926 1 160 . 1 1 21 21 LEU HD11 H 1 0.884 0.020 . 2 . . . . 21 LEU HD1 . 15926 1 161 . 1 1 21 21 LEU HD12 H 1 0.884 0.020 . 2 . . . . 21 LEU HD1 . 15926 1 162 . 1 1 21 21 LEU HD13 H 1 0.884 0.020 . 2 . . . . 21 LEU HD1 . 15926 1 163 . 1 1 21 21 LEU HD21 H 1 0.884 0.020 . 2 . . . . 21 LEU HD2 . 15926 1 164 . 1 1 21 21 LEU HD22 H 1 0.884 0.020 . 2 . . . . 21 LEU HD2 . 15926 1 165 . 1 1 21 21 LEU HD23 H 1 0.884 0.020 . 2 . . . . 21 LEU HD2 . 15926 1 166 . 1 1 21 21 LEU HG H 1 1.584 0.020 . 1 . . . . 21 LEU HG . 15926 1 167 . 1 1 21 21 LEU N N 15 121.258 0.400 . 1 . . . . 21 LEU N . 15926 1 168 . 1 1 22 22 GLU H H 1 8.169 0.020 . 1 . . . . 22 GLU H . 15926 1 169 . 1 1 22 22 GLU HA H 1 3.981 0.020 . 1 . . . . 22 GLU HA . 15926 1 170 . 1 1 22 22 GLU HB2 H 1 2.250 0.020 . 2 . . . . 22 GLU HB2 . 15926 1 171 . 1 1 22 22 GLU HB3 H 1 2.122 0.020 . 2 . . . . 22 GLU HB3 . 15926 1 172 . 1 1 22 22 GLU HG2 H 1 2.344 0.020 . 2 . . . . 22 GLU HG2 . 15926 1 173 . 1 1 22 22 GLU HG3 H 1 2.444 0.020 . 2 . . . . 22 GLU HG3 . 15926 1 174 . 1 1 22 22 GLU N N 15 119.093 0.400 . 1 . . . . 22 GLU N . 15926 1 175 . 1 1 23 23 GLN H H 1 8.015 0.020 . 1 . . . . 23 GLN H . 15926 1 176 . 1 1 23 23 GLN HA H 1 4.174 0.020 . 1 . . . . 23 GLN HA . 15926 1 177 . 1 1 23 23 GLN HB2 H 1 2.251 0.020 . 1 . . . . 23 GLN HB2 . 15926 1 178 . 1 1 23 23 GLN HB3 H 1 2.135 0.020 . 1 . . . . 23 GLN HB3 . 15926 1 179 . 1 1 23 23 GLN HE21 H 1 7.537 0.020 . 2 . . . . 23 GLN HE21 . 15926 1 180 . 1 1 23 23 GLN HE22 H 1 6.850 0.020 . 2 . . . . 23 GLN HE22 . 15926 1 181 . 1 1 23 23 GLN HG2 H 1 2.418 0.020 . 2 . . . . 23 GLN HG2 . 15926 1 182 . 1 1 23 23 GLN HG3 H 1 2.592 0.020 . 2 . . . . 23 GLN HG3 . 15926 1 183 . 1 1 23 23 GLN N N 15 119.335 0.400 . 1 . . . . 23 GLN N . 15926 1 184 . 1 1 23 23 GLN NE2 N 15 111.625 0.400 . 1 . . . . 23 GLN NE2 . 15926 1 185 . 1 1 24 24 MET H H 1 8.209 0.020 . 1 . . . . 24 MET H . 15926 1 186 . 1 1 24 24 MET HA H 1 4.005 0.020 . 1 . . . . 24 MET HA . 15926 1 187 . 1 1 24 24 MET HB2 H 1 1.846 0.020 . 1 . . . . 24 MET HB2 . 15926 1 188 . 1 1 24 24 MET HB3 H 1 1.584 0.020 . 1 . . . . 24 MET HB3 . 15926 1 189 . 1 1 24 24 MET HE1 H 1 1.742 0.020 . 1 . . . . 24 MET HE . 15926 1 190 . 1 1 24 24 MET HE2 H 1 1.742 0.020 . 1 . . . . 24 MET HE . 15926 1 191 . 1 1 24 24 MET HE3 H 1 1.742 0.020 . 1 . . . . 24 MET HE . 15926 1 192 . 1 1 24 24 MET HG2 H 1 2.340 0.020 . 1 . . . . 24 MET HG2 . 15926 1 193 . 1 1 24 24 MET HG3 H 1 2.152 0.020 . 1 . . . . 24 MET HG3 . 15926 1 194 . 1 1 24 24 MET N N 15 119.750 0.400 . 1 . . . . 24 MET N . 15926 1 195 . 1 1 25 25 LYS H H 1 8.387 0.020 . 1 . . . . 25 LYS H . 15926 1 196 . 1 1 25 25 LYS HA H 1 3.797 0.020 . 1 . . . . 25 LYS HA . 15926 1 197 . 1 1 25 25 LYS HB2 H 1 1.907 0.020 . 2 . . . . 25 LYS HB2 . 15926 1 198 . 1 1 25 25 LYS HB3 H 1 1.982 0.020 . 2 . . . . 25 LYS HB3 . 15926 1 199 . 1 1 25 25 LYS HD2 H 1 1.738 0.020 . 2 . . . . 25 LYS HD2 . 15926 1 200 . 1 1 25 25 LYS HD3 H 1 1.738 0.020 . 2 . . . . 25 LYS HD3 . 15926 1 201 . 1 1 25 25 LYS HE2 H 1 2.886 0.020 . 2 . . . . 25 LYS HE2 . 15926 1 202 . 1 1 25 25 LYS HE3 H 1 2.942 0.020 . 2 . . . . 25 LYS HE3 . 15926 1 203 . 1 1 25 25 LYS HG2 H 1 1.449 0.020 . 2 . . . . 25 LYS HG2 . 15926 1 204 . 1 1 25 25 LYS HG3 H 1 1.449 0.020 . 2 . . . . 25 LYS HG3 . 15926 1 205 . 1 1 25 25 LYS N N 15 119.097 0.400 . 1 . . . . 25 LYS N . 15926 1 206 . 1 1 26 26 GLU H H 1 7.936 0.020 . 1 . . . . 26 GLU H . 15926 1 207 . 1 1 26 26 GLU HA H 1 3.989 0.020 . 1 . . . . 26 GLU HA . 15926 1 208 . 1 1 26 26 GLU HB2 H 1 2.171 0.020 . 2 . . . . 26 GLU HB2 . 15926 1 209 . 1 1 26 26 GLU HB3 H 1 2.120 0.020 . 2 . . . . 26 GLU HB3 . 15926 1 210 . 1 1 26 26 GLU HG2 H 1 2.247 0.020 . 2 . . . . 26 GLU HG2 . 15926 1 211 . 1 1 26 26 GLU HG3 H 1 2.410 0.020 . 2 . . . . 26 GLU HG3 . 15926 1 212 . 1 1 26 26 GLU N N 15 117.895 0.400 . 1 . . . . 26 GLU N . 15926 1 213 . 1 1 27 27 LYS H H 1 7.608 0.020 . 1 . . . . 27 LYS H . 15926 1 214 . 1 1 27 27 LYS HA H 1 4.027 0.020 . 1 . . . . 27 LYS HA . 15926 1 215 . 1 1 27 27 LYS HB2 H 1 2.104 0.020 . 2 . . . . 27 LYS HB2 . 15926 1 216 . 1 1 27 27 LYS HB3 H 1 2.058 0.020 . 2 . . . . 27 LYS HB3 . 15926 1 217 . 1 1 27 27 LYS HD2 H 1 1.805 0.020 . 2 . . . . 27 LYS HD2 . 15926 1 218 . 1 1 27 27 LYS HD3 H 1 1.805 0.020 . 2 . . . . 27 LYS HD3 . 15926 1 219 . 1 1 27 27 LYS HE2 H 1 3.012 0.020 . 2 . . . . 27 LYS HE2 . 15926 1 220 . 1 1 27 27 LYS HE3 H 1 3.012 0.020 . 2 . . . . 27 LYS HE3 . 15926 1 221 . 1 1 27 27 LYS HG2 H 1 1.562 0.020 . 2 . . . . 27 LYS HG2 . 15926 1 222 . 1 1 27 27 LYS HG3 H 1 1.699 0.020 . 2 . . . . 27 LYS HG3 . 15926 1 223 . 1 1 27 27 LYS N N 15 117.438 0.400 . 1 . . . . 27 LYS N . 15926 1 224 . 1 1 28 28 VAL H H 1 8.285 0.020 . 1 . . . . 28 VAL H . 15926 1 225 . 1 1 28 28 VAL HA H 1 3.813 0.020 . 1 . . . . 28 VAL HA . 15926 1 226 . 1 1 28 28 VAL HB H 1 2.304 0.020 . 1 . . . . 28 VAL HB . 15926 1 227 . 1 1 28 28 VAL HG11 H 1 1.060 0.020 . 1 . . . . 28 VAL HG1 . 15926 1 228 . 1 1 28 28 VAL HG12 H 1 1.060 0.020 . 1 . . . . 28 VAL HG1 . 15926 1 229 . 1 1 28 28 VAL HG13 H 1 1.060 0.020 . 1 . . . . 28 VAL HG1 . 15926 1 230 . 1 1 28 28 VAL HG21 H 1 1.206 0.020 . 1 . . . . 28 VAL HG2 . 15926 1 231 . 1 1 28 28 VAL HG22 H 1 1.206 0.020 . 1 . . . . 28 VAL HG2 . 15926 1 232 . 1 1 28 28 VAL HG23 H 1 1.206 0.020 . 1 . . . . 28 VAL HG2 . 15926 1 233 . 1 1 28 28 VAL N N 15 118.134 0.400 . 1 . . . . 28 VAL N . 15926 1 234 . 1 1 29 29 MET H H 1 8.030 0.020 . 1 . . . . 29 MET H . 15926 1 235 . 1 1 29 29 MET HA H 1 4.422 0.020 . 1 . . . . 29 MET HA . 15926 1 236 . 1 1 29 29 MET HB2 H 1 2.130 0.020 . 2 . . . . 29 MET HB2 . 15926 1 237 . 1 1 29 29 MET HB3 H 1 2.173 0.020 . 2 . . . . 29 MET HB3 . 15926 1 238 . 1 1 29 29 MET HE1 H 1 2.036 0.020 . 1 . . . . 29 MET HE . 15926 1 239 . 1 1 29 29 MET HE2 H 1 2.036 0.020 . 1 . . . . 29 MET HE . 15926 1 240 . 1 1 29 29 MET HE3 H 1 2.036 0.020 . 1 . . . . 29 MET HE . 15926 1 241 . 1 1 29 29 MET HG2 H 1 2.773 0.020 . 2 . . . . 29 MET HG2 . 15926 1 242 . 1 1 29 29 MET HG3 H 1 2.773 0.020 . 2 . . . . 29 MET HG3 . 15926 1 243 . 1 1 29 29 MET N N 15 112.840 0.400 . 1 . . . . 29 MET N . 15926 1 244 . 1 1 30 30 LYS H H 1 7.320 0.020 . 1 . . . . 30 LYS H . 15926 1 245 . 1 1 30 30 LYS HA H 1 4.304 0.020 . 1 . . . . 30 LYS HA . 15926 1 246 . 1 1 30 30 LYS HB2 H 1 1.907 0.020 . 2 . . . . 30 LYS HB2 . 15926 1 247 . 1 1 30 30 LYS HB3 H 1 2.018 0.020 . 2 . . . . 30 LYS HB3 . 15926 1 248 . 1 1 30 30 LYS HD2 H 1 1.689 0.020 . 2 . . . . 30 LYS HD2 . 15926 1 249 . 1 1 30 30 LYS HD3 H 1 1.689 0.020 . 2 . . . . 30 LYS HD3 . 15926 1 250 . 1 1 30 30 LYS HE2 H 1 3.026 0.020 . 2 . . . . 30 LYS HE2 . 15926 1 251 . 1 1 30 30 LYS HE3 H 1 3.026 0.020 . 2 . . . . 30 LYS HE3 . 15926 1 252 . 1 1 30 30 LYS HG2 H 1 1.577 0.020 . 2 . . . . 30 LYS HG2 . 15926 1 253 . 1 1 30 30 LYS HG3 H 1 1.577 0.020 . 2 . . . . 30 LYS HG3 . 15926 1 254 . 1 1 30 30 LYS N N 15 116.038 0.400 . 1 . . . . 30 LYS N . 15926 1 255 . 1 1 31 31 ASP H H 1 7.495 0.020 . 1 . . . . 31 ASP H . 15926 1 256 . 1 1 31 31 ASP HA H 1 4.594 0.020 . 1 . . . . 31 ASP HA . 15926 1 257 . 1 1 31 31 ASP HB2 H 1 2.691 0.020 . 2 . . . . 31 ASP HB2 . 15926 1 258 . 1 1 31 31 ASP HB3 H 1 3.089 0.020 . 2 . . . . 31 ASP HB3 . 15926 1 259 . 1 1 31 31 ASP N N 15 122.944 0.400 . 1 . . . . 31 ASP N . 15926 1 260 . 1 1 32 32 GLN H H 1 9.076 0.020 . 1 . . . . 32 GLN H . 15926 1 261 . 1 1 32 32 GLN HA H 1 4.029 0.020 . 1 . . . . 32 GLN HA . 15926 1 262 . 1 1 32 32 GLN HB2 H 1 2.185 0.020 . 2 . . . . 32 GLN HB2 . 15926 1 263 . 1 1 32 32 GLN HB3 H 1 2.185 0.020 . 2 . . . . 32 GLN HB3 . 15926 1 264 . 1 1 32 32 GLN HE21 H 1 7.614 0.020 . 2 . . . . 32 GLN HE21 . 15926 1 265 . 1 1 32 32 GLN HE22 H 1 6.911 0.020 . 2 . . . . 32 GLN HE22 . 15926 1 266 . 1 1 32 32 GLN HG2 H 1 2.529 0.020 . 2 . . . . 32 GLN HG2 . 15926 1 267 . 1 1 32 32 GLN HG3 H 1 2.529 0.020 . 2 . . . . 32 GLN HG3 . 15926 1 268 . 1 1 32 32 GLN N N 15 126.326 0.400 . 1 . . . . 32 GLN N . 15926 1 269 . 1 1 32 32 GLN NE2 N 15 112.825 0.400 . 1 . . . . 32 GLN NE2 . 15926 1 270 . 1 1 33 33 ASP H H 1 8.456 0.020 . 1 . . . . 33 ASP H . 15926 1 271 . 1 1 33 33 ASP HA H 1 4.671 0.020 . 1 . . . . 33 ASP HA . 15926 1 272 . 1 1 33 33 ASP HB2 H 1 3.337 0.020 . 2 . . . . 33 ASP HB2 . 15926 1 273 . 1 1 33 33 ASP HB3 H 1 2.985 0.020 . 2 . . . . 33 ASP HB3 . 15926 1 274 . 1 1 33 33 ASP N N 15 122.586 0.400 . 1 . . . . 33 ASP N . 15926 1 275 . 1 1 34 34 VAL H H 1 9.317 0.020 . 1 . . . . 34 VAL H . 15926 1 276 . 1 1 34 34 VAL HA H 1 3.521 0.020 . 1 . . . . 34 VAL HA . 15926 1 277 . 1 1 34 34 VAL HB H 1 2.622 0.020 . 1 . . . . 34 VAL HB . 15926 1 278 . 1 1 34 34 VAL HG11 H 1 0.958 0.020 . 1 . . . . 34 VAL HG1 . 15926 1 279 . 1 1 34 34 VAL HG12 H 1 0.958 0.020 . 1 . . . . 34 VAL HG1 . 15926 1 280 . 1 1 34 34 VAL HG13 H 1 0.958 0.020 . 1 . . . . 34 VAL HG1 . 15926 1 281 . 1 1 34 34 VAL HG21 H 1 1.199 0.020 . 1 . . . . 34 VAL HG2 . 15926 1 282 . 1 1 34 34 VAL HG22 H 1 1.199 0.020 . 1 . . . . 34 VAL HG2 . 15926 1 283 . 1 1 34 34 VAL HG23 H 1 1.199 0.020 . 1 . . . . 34 VAL HG2 . 15926 1 284 . 1 1 34 34 VAL N N 15 124.689 0.400 . 1 . . . . 34 VAL N . 15926 1 285 . 1 1 35 35 GLN H H 1 8.633 0.020 . 1 . . . . 35 GLN H . 15926 1 286 . 1 1 35 35 GLN HA H 1 3.901 0.020 . 1 . . . . 35 GLN HA . 15926 1 287 . 1 1 35 35 GLN HB2 H 1 2.156 0.020 . 2 . . . . 35 GLN HB2 . 15926 1 288 . 1 1 35 35 GLN HB3 H 1 2.264 0.020 . 2 . . . . 35 GLN HB3 . 15926 1 289 . 1 1 35 35 GLN HE21 H 1 7.659 0.020 . 1 . . . . 35 GLN HE21 . 15926 1 290 . 1 1 35 35 GLN HE22 H 1 6.777 0.020 . 1 . . . . 35 GLN HE22 . 15926 1 291 . 1 1 35 35 GLN HG2 H 1 2.616 0.020 . 2 . . . . 35 GLN HG2 . 15926 1 292 . 1 1 35 35 GLN HG3 H 1 2.494 0.020 . 2 . . . . 35 GLN HG3 . 15926 1 293 . 1 1 35 35 GLN N N 15 117.209 0.400 . 1 . . . . 35 GLN N . 15926 1 294 . 1 1 35 35 GLN NE2 N 15 112.054 0.400 . 1 . . . . 35 GLN NE2 . 15926 1 295 . 1 1 36 36 ALA H H 1 7.935 0.020 . 1 . . . . 36 ALA H . 15926 1 296 . 1 1 36 36 ALA HA H 1 4.211 0.020 . 1 . . . . 36 ALA HA . 15926 1 297 . 1 1 36 36 ALA HB1 H 1 1.665 0.020 . 1 . . . . 36 ALA HB . 15926 1 298 . 1 1 36 36 ALA HB2 H 1 1.665 0.020 . 1 . . . . 36 ALA HB . 15926 1 299 . 1 1 36 36 ALA HB3 H 1 1.665 0.020 . 1 . . . . 36 ALA HB . 15926 1 300 . 1 1 36 36 ALA N N 15 121.503 0.400 . 1 . . . . 36 ALA N . 15926 1 301 . 1 1 37 37 PHE H H 1 7.862 0.020 . 1 . . . . 37 PHE H . 15926 1 302 . 1 1 37 37 PHE HA H 1 4.357 0.020 . 1 . . . . 37 PHE HA . 15926 1 303 . 1 1 37 37 PHE HB2 H 1 3.308 0.020 . 1 . . . . 37 PHE HB2 . 15926 1 304 . 1 1 37 37 PHE HB3 H 1 3.153 0.020 . 1 . . . . 37 PHE HB3 . 15926 1 305 . 1 1 37 37 PHE HD1 H 1 7.028 0.020 . 1 . . . . 37 PHE HD1 . 15926 1 306 . 1 1 37 37 PHE HD2 H 1 7.028 0.020 . 1 . . . . 37 PHE HD2 . 15926 1 307 . 1 1 37 37 PHE HE1 H 1 6.928 0.020 . 1 . . . . 37 PHE HE1 . 15926 1 308 . 1 1 37 37 PHE HE2 H 1 6.928 0.020 . 1 . . . . 37 PHE HE2 . 15926 1 309 . 1 1 37 37 PHE HZ H 1 6.829 0.020 . 1 . . . . 37 PHE HZ . 15926 1 310 . 1 1 37 37 PHE N N 15 121.040 0.400 . 1 . . . . 37 PHE N . 15926 1 311 . 1 1 38 38 LEU H H 1 8.848 0.020 . 1 . . . . 38 LEU H . 15926 1 312 . 1 1 38 38 LEU HA H 1 3.581 0.020 . 1 . . . . 38 LEU HA . 15926 1 313 . 1 1 38 38 LEU HB2 H 1 1.898 0.020 . 1 . . . . 38 LEU HB2 . 15926 1 314 . 1 1 38 38 LEU HB3 H 1 2.124 0.020 . 1 . . . . 38 LEU HB3 . 15926 1 315 . 1 1 38 38 LEU HD11 H 1 0.819 0.020 . 1 . . . . 38 LEU HD1 . 15926 1 316 . 1 1 38 38 LEU HD12 H 1 0.819 0.020 . 1 . . . . 38 LEU HD1 . 15926 1 317 . 1 1 38 38 LEU HD13 H 1 0.819 0.020 . 1 . . . . 38 LEU HD1 . 15926 1 318 . 1 1 38 38 LEU HD21 H 1 0.850 0.020 . 1 . . . . 38 LEU HD2 . 15926 1 319 . 1 1 38 38 LEU HD22 H 1 0.850 0.020 . 1 . . . . 38 LEU HD2 . 15926 1 320 . 1 1 38 38 LEU HD23 H 1 0.850 0.020 . 1 . . . . 38 LEU HD2 . 15926 1 321 . 1 1 38 38 LEU HG H 1 1.433 0.020 . 1 . . . . 38 LEU HG . 15926 1 322 . 1 1 38 38 LEU N N 15 120.561 0.400 . 1 . . . . 38 LEU N . 15926 1 323 . 1 1 39 39 LYS H H 1 7.885 0.020 . 1 . . . . 39 LYS H . 15926 1 324 . 1 1 39 39 LYS HA H 1 4.142 0.020 . 1 . . . . 39 LYS HA . 15926 1 325 . 1 1 39 39 LYS HB2 H 1 1.992 0.020 . 2 . . . . 39 LYS HB2 . 15926 1 326 . 1 1 39 39 LYS HB3 H 1 1.934 0.020 . 2 . . . . 39 LYS HB3 . 15926 1 327 . 1 1 39 39 LYS HD2 H 1 1.672 0.020 . 2 . . . . 39 LYS HD2 . 15926 1 328 . 1 1 39 39 LYS HD3 H 1 1.751 0.020 . 2 . . . . 39 LYS HD3 . 15926 1 329 . 1 1 39 39 LYS HE2 H 1 2.994 0.020 . 2 . . . . 39 LYS HE2 . 15926 1 330 . 1 1 39 39 LYS HE3 H 1 3.042 0.020 . 2 . . . . 39 LYS HE3 . 15926 1 331 . 1 1 39 39 LYS HG2 H 1 1.463 0.020 . 2 . . . . 39 LYS HG2 . 15926 1 332 . 1 1 39 39 LYS HG3 H 1 1.513 0.020 . 2 . . . . 39 LYS HG3 . 15926 1 333 . 1 1 39 39 LYS N N 15 118.613 0.400 . 1 . . . . 39 LYS N . 15926 1 334 . 1 1 40 40 GLU H H 1 8.134 0.020 . 1 . . . . 40 GLU H . 15926 1 335 . 1 1 40 40 GLU HA H 1 4.054 0.020 . 1 . . . . 40 GLU HA . 15926 1 336 . 1 1 40 40 GLU HB2 H 1 2.112 0.020 . 1 . . . . 40 GLU HB2 . 15926 1 337 . 1 1 40 40 GLU HB3 H 1 1.971 0.020 . 1 . . . . 40 GLU HB3 . 15926 1 338 . 1 1 40 40 GLU HG2 H 1 2.266 0.020 . 2 . . . . 40 GLU HG2 . 15926 1 339 . 1 1 40 40 GLU HG3 H 1 2.358 0.020 . 2 . . . . 40 GLU HG3 . 15926 1 340 . 1 1 40 40 GLU N N 15 119.387 0.400 . 1 . . . . 40 GLU N . 15926 1 341 . 1 1 41 41 ASN H H 1 7.089 0.020 . 1 . . . . 41 ASN H . 15926 1 342 . 1 1 41 41 ASN HA H 1 4.933 0.020 . 1 . . . . 41 ASN HA . 15926 1 343 . 1 1 41 41 ASN HB2 H 1 1.778 0.020 . 1 . . . . 41 ASN HB2 . 15926 1 344 . 1 1 41 41 ASN HB3 H 1 2.536 0.020 . 1 . . . . 41 ASN HB3 . 15926 1 345 . 1 1 41 41 ASN HD21 H 1 6.464 0.020 . 1 . . . . 41 ASN HD21 . 15926 1 346 . 1 1 41 41 ASN HD22 H 1 7.174 0.020 . 1 . . . . 41 ASN HD22 . 15926 1 347 . 1 1 41 41 ASN N N 15 114.032 0.400 . 1 . . . . 41 ASN N . 15926 1 348 . 1 1 41 41 ASN ND2 N 15 119.710 0.400 . 1 . . . . 41 ASN ND2 . 15926 1 349 . 1 1 42 42 GLU H H 1 7.086 0.020 . 1 . . . . 42 GLU H . 15926 1 350 . 1 1 42 42 GLU HA H 1 3.957 0.020 . 1 . . . . 42 GLU HA . 15926 1 351 . 1 1 42 42 GLU HB2 H 1 2.114 0.020 . 2 . . . . 42 GLU HB2 . 15926 1 352 . 1 1 42 42 GLU HB3 H 1 2.179 0.020 . 2 . . . . 42 GLU HB3 . 15926 1 353 . 1 1 42 42 GLU HG2 H 1 2.296 0.020 . 1 . . . . 42 GLU HG2 . 15926 1 354 . 1 1 42 42 GLU HG3 H 1 2.371 0.020 . 1 . . . . 42 GLU HG3 . 15926 1 355 . 1 1 42 42 GLU N N 15 121.023 0.400 . 1 . . . . 42 GLU N . 15926 1 356 . 1 1 43 43 GLU H H 1 8.648 0.020 . 1 . . . . 43 GLU H . 15926 1 357 . 1 1 43 43 GLU HA H 1 4.207 0.020 . 1 . . . . 43 GLU HA . 15926 1 358 . 1 1 43 43 GLU HB2 H 1 2.119 0.020 . 1 . . . . 43 GLU HB2 . 15926 1 359 . 1 1 43 43 GLU HB3 H 1 2.010 0.020 . 1 . . . . 43 GLU HB3 . 15926 1 360 . 1 1 43 43 GLU HG2 H 1 2.375 0.020 . 2 . . . . 43 GLU HG2 . 15926 1 361 . 1 1 43 43 GLU HG3 H 1 2.292 0.020 . 2 . . . . 43 GLU HG3 . 15926 1 362 . 1 1 43 43 GLU N N 15 115.965 0.400 . 1 . . . . 43 GLU N . 15926 1 363 . 1 1 44 44 VAL H H 1 7.526 0.020 . 1 . . . . 44 VAL H . 15926 1 364 . 1 1 44 44 VAL HA H 1 4.445 0.020 . 1 . . . . 44 VAL HA . 15926 1 365 . 1 1 44 44 VAL HB H 1 2.294 0.020 . 1 . . . . 44 VAL HB . 15926 1 366 . 1 1 44 44 VAL HG11 H 1 0.927 0.020 . 1 . . . . 44 VAL HG1 . 15926 1 367 . 1 1 44 44 VAL HG12 H 1 0.927 0.020 . 1 . . . . 44 VAL HG1 . 15926 1 368 . 1 1 44 44 VAL HG13 H 1 0.927 0.020 . 1 . . . . 44 VAL HG1 . 15926 1 369 . 1 1 44 44 VAL HG21 H 1 0.901 0.020 . 1 . . . . 44 VAL HG2 . 15926 1 370 . 1 1 44 44 VAL HG22 H 1 0.901 0.020 . 1 . . . . 44 VAL HG2 . 15926 1 371 . 1 1 44 44 VAL HG23 H 1 0.901 0.020 . 1 . . . . 44 VAL HG2 . 15926 1 372 . 1 1 44 44 VAL N N 15 110.987 0.400 . 1 . . . . 44 VAL N . 15926 1 373 . 1 1 45 45 ILE H H 1 7.246 0.020 . 1 . . . . 45 ILE H . 15926 1 374 . 1 1 45 45 ILE HA H 1 4.531 0.020 . 1 . . . . 45 ILE HA . 15926 1 375 . 1 1 45 45 ILE HB H 1 1.579 0.020 . 1 . . . . 45 ILE HB . 15926 1 376 . 1 1 45 45 ILE HD11 H 1 0.509 0.020 . 1 . . . . 45 ILE HD1 . 15926 1 377 . 1 1 45 45 ILE HD12 H 1 0.509 0.020 . 1 . . . . 45 ILE HD1 . 15926 1 378 . 1 1 45 45 ILE HD13 H 1 0.509 0.020 . 1 . . . . 45 ILE HD1 . 15926 1 379 . 1 1 45 45 ILE HG12 H 1 0.988 0.020 . 1 . . . . 45 ILE HG12 . 15926 1 380 . 1 1 45 45 ILE HG13 H 1 1.529 0.020 . 1 . . . . 45 ILE HG13 . 15926 1 381 . 1 1 45 45 ILE HG21 H 1 0.837 0.020 . 1 . . . . 45 ILE HG2 . 15926 1 382 . 1 1 45 45 ILE HG22 H 1 0.837 0.020 . 1 . . . . 45 ILE HG2 . 15926 1 383 . 1 1 45 45 ILE HG23 H 1 0.837 0.020 . 1 . . . . 45 ILE HG2 . 15926 1 384 . 1 1 45 45 ILE N N 15 119.815 0.400 . 1 . . . . 45 ILE N . 15926 1 385 . 1 1 46 46 ASP H H 1 7.351 0.020 . 1 . . . . 46 ASP H . 15926 1 386 . 1 1 46 46 ASP HA H 1 4.958 0.020 . 1 . . . . 46 ASP HA . 15926 1 387 . 1 1 46 46 ASP HB2 H 1 2.738 0.020 . 2 . . . . 46 ASP HB2 . 15926 1 388 . 1 1 46 46 ASP HB3 H 1 3.167 0.020 . 2 . . . . 46 ASP HB3 . 15926 1 389 . 1 1 46 46 ASP N N 15 124.659 0.400 . 1 . . . . 46 ASP N . 15926 1 390 . 1 1 47 47 GLN H H 1 8.504 0.020 . 1 . . . . 47 GLN H . 15926 1 391 . 1 1 47 47 GLN HA H 1 3.949 0.020 . 1 . . . . 47 GLN HA . 15926 1 392 . 1 1 47 47 GLN HB2 H 1 2.152 0.020 . 1 . . . . 47 GLN HB2 . 15926 1 393 . 1 1 47 47 GLN HB3 H 1 2.105 0.020 . 1 . . . . 47 GLN HB3 . 15926 1 394 . 1 1 47 47 GLN HE21 H 1 7.769 0.020 . 2 . . . . 47 GLN HE21 . 15926 1 395 . 1 1 47 47 GLN HE22 H 1 6.795 0.020 . 2 . . . . 47 GLN HE22 . 15926 1 396 . 1 1 47 47 GLN HG2 H 1 2.483 0.020 . 2 . . . . 47 GLN HG2 . 15926 1 397 . 1 1 47 47 GLN HG3 H 1 2.483 0.020 . 2 . . . . 47 GLN HG3 . 15926 1 398 . 1 1 47 47 GLN N N 15 117.654 0.400 . 1 . . . . 47 GLN N . 15926 1 399 . 1 1 47 47 GLN NE2 N 15 112.778 0.400 . 1 . . . . 47 GLN NE2 . 15926 1 400 . 1 1 48 48 LYS H H 1 8.030 0.020 . 1 . . . . 48 LYS H . 15926 1 401 . 1 1 48 48 LYS HA H 1 4.132 0.020 . 1 . . . . 48 LYS HA . 15926 1 402 . 1 1 48 48 LYS HB2 H 1 1.963 0.020 . 1 . . . . 48 LYS HB2 . 15926 1 403 . 1 1 48 48 LYS HB3 H 1 1.867 0.020 . 1 . . . . 48 LYS HB3 . 15926 1 404 . 1 1 48 48 LYS HD2 H 1 1.773 0.020 . 2 . . . . 48 LYS HD2 . 15926 1 405 . 1 1 48 48 LYS HD3 H 1 1.773 0.020 . 2 . . . . 48 LYS HD3 . 15926 1 406 . 1 1 48 48 LYS HE2 H 1 3.047 0.020 . 2 . . . . 48 LYS HE2 . 15926 1 407 . 1 1 48 48 LYS HE3 H 1 3.047 0.020 . 2 . . . . 48 LYS HE3 . 15926 1 408 . 1 1 48 48 LYS HG2 H 1 1.525 0.020 . 2 . . . . 48 LYS HG2 . 15926 1 409 . 1 1 48 48 LYS HG3 H 1 1.583 0.020 . 2 . . . . 48 LYS HG3 . 15926 1 410 . 1 1 48 48 LYS N N 15 119.335 0.400 . 1 . . . . 48 LYS N . 15926 1 411 . 1 1 49 49 MET H H 1 8.250 0.020 . 1 . . . . 49 MET H . 15926 1 412 . 1 1 49 49 MET HA H 1 4.132 0.020 . 1 . . . . 49 MET HA . 15926 1 413 . 1 1 49 49 MET HB2 H 1 2.377 0.020 . 1 . . . . 49 MET HB2 . 15926 1 414 . 1 1 49 49 MET HB3 H 1 2.143 0.020 . 1 . . . . 49 MET HB3 . 15926 1 415 . 1 1 49 49 MET HE1 H 1 1.997 0.020 . 1 . . . . 49 MET HE . 15926 1 416 . 1 1 49 49 MET HE2 H 1 1.997 0.020 . 1 . . . . 49 MET HE . 15926 1 417 . 1 1 49 49 MET HE3 H 1 1.997 0.020 . 1 . . . . 49 MET HE . 15926 1 418 . 1 1 49 49 MET HG2 H 1 2.524 0.020 . 1 . . . . 49 MET HG2 . 15926 1 419 . 1 1 49 49 MET HG3 H 1 2.766 0.020 . 1 . . . . 49 MET HG3 . 15926 1 420 . 1 1 49 49 MET N N 15 120.061 0.400 . 1 . . . . 49 MET N . 15926 1 421 . 1 1 50 50 ILE H H 1 7.726 0.020 . 1 . . . . 50 ILE H . 15926 1 422 . 1 1 50 50 ILE HA H 1 3.379 0.020 . 1 . . . . 50 ILE HA . 15926 1 423 . 1 1 50 50 ILE HB H 1 1.981 0.020 . 1 . . . . 50 ILE HB . 15926 1 424 . 1 1 50 50 ILE HD11 H 1 0.729 0.020 . 1 . . . . 50 ILE HD1 . 15926 1 425 . 1 1 50 50 ILE HD12 H 1 0.729 0.020 . 1 . . . . 50 ILE HD1 . 15926 1 426 . 1 1 50 50 ILE HD13 H 1 0.729 0.020 . 1 . . . . 50 ILE HD1 . 15926 1 427 . 1 1 50 50 ILE HG12 H 1 1.738 0.020 . 1 . . . . 50 ILE HG12 . 15926 1 428 . 1 1 50 50 ILE HG13 H 1 0.821 0.020 . 1 . . . . 50 ILE HG13 . 15926 1 429 . 1 1 50 50 ILE HG21 H 1 0.789 0.020 . 1 . . . . 50 ILE HG2 . 15926 1 430 . 1 1 50 50 ILE HG22 H 1 0.789 0.020 . 1 . . . . 50 ILE HG2 . 15926 1 431 . 1 1 50 50 ILE HG23 H 1 0.789 0.020 . 1 . . . . 50 ILE HG2 . 15926 1 432 . 1 1 50 50 ILE N N 15 120.912 0.400 . 1 . . . . 50 ILE N . 15926 1 433 . 1 1 51 51 GLU H H 1 8.044 0.020 . 1 . . . . 51 GLU H . 15926 1 434 . 1 1 51 51 GLU HA H 1 3.906 0.020 . 1 . . . . 51 GLU HA . 15926 1 435 . 1 1 51 51 GLU HB2 H 1 2.140 0.020 . 2 . . . . 51 GLU HB2 . 15926 1 436 . 1 1 51 51 GLU HB3 H 1 2.211 0.020 . 2 . . . . 51 GLU HB3 . 15926 1 437 . 1 1 51 51 GLU HG2 H 1 2.507 0.020 . 2 . . . . 51 GLU HG2 . 15926 1 438 . 1 1 51 51 GLU HG3 H 1 2.507 0.020 . 2 . . . . 51 GLU HG3 . 15926 1 439 . 1 1 51 51 GLU N N 15 117.413 0.400 . 1 . . . . 51 GLU N . 15926 1 440 . 1 1 52 52 LYS H H 1 8.249 0.020 . 1 . . . . 52 LYS H . 15926 1 441 . 1 1 52 52 LYS HA H 1 4.318 0.020 . 1 . . . . 52 LYS HA . 15926 1 442 . 1 1 52 52 LYS HB2 H 1 1.980 0.020 . 2 . . . . 52 LYS HB2 . 15926 1 443 . 1 1 52 52 LYS HB3 H 1 2.095 0.020 . 2 . . . . 52 LYS HB3 . 15926 1 444 . 1 1 52 52 LYS HD2 H 1 1.804 0.020 . 2 . . . . 52 LYS HD2 . 15926 1 445 . 1 1 52 52 LYS HD3 H 1 1.804 0.020 . 2 . . . . 52 LYS HD3 . 15926 1 446 . 1 1 52 52 LYS HE2 H 1 3.070 0.020 . 2 . . . . 52 LYS HE2 . 15926 1 447 . 1 1 52 52 LYS HE3 H 1 3.070 0.020 . 2 . . . . 52 LYS HE3 . 15926 1 448 . 1 1 52 52 LYS HG2 H 1 1.690 0.020 . 2 . . . . 52 LYS HG2 . 15926 1 449 . 1 1 52 52 LYS HG3 H 1 1.690 0.020 . 2 . . . . 52 LYS HG3 . 15926 1 450 . 1 1 52 52 LYS N N 15 117.183 0.400 . 1 . . . . 52 LYS N . 15926 1 451 . 1 1 53 53 SER H H 1 7.664 0.020 . 1 . . . . 53 SER H . 15926 1 452 . 1 1 53 53 SER HA H 1 5.067 0.020 . 1 . . . . 53 SER HA . 15926 1 453 . 1 1 53 53 SER HB2 H 1 3.847 0.020 . 2 . . . . 53 SER HB2 . 15926 1 454 . 1 1 53 53 SER HB3 H 1 4.338 0.020 . 2 . . . . 53 SER HB3 . 15926 1 455 . 1 1 53 53 SER N N 15 113.070 0.400 . 1 . . . . 53 SER N . 15926 1 456 . 1 1 54 54 LEU H H 1 7.375 0.020 . 1 . . . . 54 LEU H . 15926 1 457 . 1 1 54 54 LEU HA H 1 3.980 0.020 . 1 . . . . 54 LEU HA . 15926 1 458 . 1 1 54 54 LEU HB2 H 1 1.985 0.020 . 1 . . . . 54 LEU HB2 . 15926 1 459 . 1 1 54 54 LEU HB3 H 1 1.667 0.020 . 1 . . . . 54 LEU HB3 . 15926 1 460 . 1 1 54 54 LEU HD11 H 1 0.984 0.020 . 2 . . . . 54 LEU HD1 . 15926 1 461 . 1 1 54 54 LEU HD12 H 1 0.984 0.020 . 2 . . . . 54 LEU HD1 . 15926 1 462 . 1 1 54 54 LEU HD13 H 1 0.984 0.020 . 2 . . . . 54 LEU HD1 . 15926 1 463 . 1 1 54 54 LEU HD21 H 1 0.938 0.020 . 2 . . . . 54 LEU HD2 . 15926 1 464 . 1 1 54 54 LEU HD22 H 1 0.938 0.020 . 2 . . . . 54 LEU HD2 . 15926 1 465 . 1 1 54 54 LEU HD23 H 1 0.938 0.020 . 2 . . . . 54 LEU HD2 . 15926 1 466 . 1 1 54 54 LEU HG H 1 1.988 0.020 . 1 . . . . 54 LEU HG . 15926 1 467 . 1 1 54 54 LEU N N 15 123.828 0.400 . 1 . . . . 54 LEU N . 15926 1 468 . 1 1 55 55 ASN H H 1 8.705 0.020 . 1 . . . . 55 ASN H . 15926 1 469 . 1 1 55 55 ASN HA H 1 4.434 0.020 . 1 . . . . 55 ASN HA . 15926 1 470 . 1 1 55 55 ASN HB2 H 1 2.864 0.020 . 2 . . . . 55 ASN HB2 . 15926 1 471 . 1 1 55 55 ASN HB3 H 1 2.864 0.020 . 2 . . . . 55 ASN HB3 . 15926 1 472 . 1 1 55 55 ASN HD21 H 1 7.708 0.020 . 2 . . . . 55 ASN HD21 . 15926 1 473 . 1 1 55 55 ASN HD22 H 1 6.928 0.020 . 2 . . . . 55 ASN HD22 . 15926 1 474 . 1 1 55 55 ASN N N 15 114.672 0.400 . 1 . . . . 55 ASN N . 15926 1 475 . 1 1 55 55 ASN ND2 N 15 112.594 0.400 . 1 . . . . 55 ASN ND2 . 15926 1 476 . 1 1 56 56 LYS H H 1 7.685 0.020 . 1 . . . . 56 LYS H . 15926 1 477 . 1 1 56 56 LYS HA H 1 4.289 0.020 . 1 . . . . 56 LYS HA . 15926 1 478 . 1 1 56 56 LYS HB2 H 1 2.053 0.020 . 1 . . . . 56 LYS HB2 . 15926 1 479 . 1 1 56 56 LYS HB3 H 1 2.140 0.020 . 1 . . . . 56 LYS HB3 . 15926 1 480 . 1 1 56 56 LYS HD2 H 1 1.953 0.020 . 2 . . . . 56 LYS HD2 . 15926 1 481 . 1 1 56 56 LYS HD3 H 1 1.953 0.020 . 2 . . . . 56 LYS HD3 . 15926 1 482 . 1 1 56 56 LYS HE2 H 1 3.140 0.020 . 2 . . . . 56 LYS HE2 . 15926 1 483 . 1 1 56 56 LYS HE3 H 1 3.140 0.020 . 2 . . . . 56 LYS HE3 . 15926 1 484 . 1 1 56 56 LYS HG2 H 1 1.733 0.020 . 1 . . . . 56 LYS HG2 . 15926 1 485 . 1 1 56 56 LYS HG3 H 1 1.693 0.020 . 1 . . . . 56 LYS HG3 . 15926 1 486 . 1 1 56 56 LYS N N 15 121.417 0.400 . 1 . . . . 56 LYS N . 15926 1 487 . 1 1 57 57 LEU H H 1 8.120 0.020 . 1 . . . . 57 LEU H . 15926 1 488 . 1 1 57 57 LEU HA H 1 3.948 0.020 . 1 . . . . 57 LEU HA . 15926 1 489 . 1 1 57 57 LEU HB2 H 1 1.743 0.020 . 1 . . . . 57 LEU HB2 . 15926 1 490 . 1 1 57 57 LEU HB3 H 1 1.447 0.020 . 1 . . . . 57 LEU HB3 . 15926 1 491 . 1 1 57 57 LEU HD11 H 1 0.795 0.020 . 2 . . . . 57 LEU HD1 . 15926 1 492 . 1 1 57 57 LEU HD12 H 1 0.795 0.020 . 2 . . . . 57 LEU HD1 . 15926 1 493 . 1 1 57 57 LEU HD13 H 1 0.795 0.020 . 2 . . . . 57 LEU HD1 . 15926 1 494 . 1 1 57 57 LEU HD21 H 1 0.897 0.020 . 2 . . . . 57 LEU HD2 . 15926 1 495 . 1 1 57 57 LEU HD22 H 1 0.897 0.020 . 2 . . . . 57 LEU HD2 . 15926 1 496 . 1 1 57 57 LEU HD23 H 1 0.897 0.020 . 2 . . . . 57 LEU HD2 . 15926 1 497 . 1 1 57 57 LEU HG H 1 1.582 0.020 . 1 . . . . 57 LEU HG . 15926 1 498 . 1 1 57 57 LEU N N 15 118.616 0.400 . 1 . . . . 57 LEU N . 15926 1 499 . 1 1 58 58 TYR H H 1 8.659 0.020 . 1 . . . . 58 TYR H . 15926 1 500 . 1 1 58 58 TYR HA H 1 4.124 0.020 . 1 . . . . 58 TYR HA . 15926 1 501 . 1 1 58 58 TYR HB2 H 1 2.973 0.020 . 2 . . . . 58 TYR HB2 . 15926 1 502 . 1 1 58 58 TYR HB3 H 1 3.152 0.020 . 2 . . . . 58 TYR HB3 . 15926 1 503 . 1 1 58 58 TYR HD1 H 1 7.075 0.020 . 1 . . . . 58 TYR HD1 . 15926 1 504 . 1 1 58 58 TYR HD2 H 1 7.075 0.020 . 1 . . . . 58 TYR HD2 . 15926 1 505 . 1 1 58 58 TYR HE1 H 1 6.792 0.020 . 1 . . . . 58 TYR HE1 . 15926 1 506 . 1 1 58 58 TYR HE2 H 1 6.792 0.020 . 1 . . . . 58 TYR HE2 . 15926 1 507 . 1 1 58 58 TYR N N 15 119.812 0.400 . 1 . . . . 58 TYR N . 15926 1 508 . 1 1 59 59 GLU H H 1 7.999 0.020 . 1 . . . . 59 GLU H . 15926 1 509 . 1 1 59 59 GLU HA H 1 3.945 0.020 . 1 . . . . 59 GLU HA . 15926 1 510 . 1 1 59 59 GLU HB2 H 1 2.183 0.020 . 2 . . . . 59 GLU HB2 . 15926 1 511 . 1 1 59 59 GLU HB3 H 1 2.303 0.020 . 2 . . . . 59 GLU HB3 . 15926 1 512 . 1 1 59 59 GLU HG2 H 1 2.525 0.020 . 2 . . . . 59 GLU HG2 . 15926 1 513 . 1 1 59 59 GLU HG3 H 1 2.525 0.020 . 2 . . . . 59 GLU HG3 . 15926 1 514 . 1 1 59 59 GLU N N 15 118.851 0.400 . 1 . . . . 59 GLU N . 15926 1 515 . 1 1 60 60 TYR H H 1 8.132 0.020 . 1 . . . . 60 TYR H . 15926 1 516 . 1 1 60 60 TYR HA H 1 4.056 0.020 . 1 . . . . 60 TYR HA . 15926 1 517 . 1 1 60 60 TYR HB2 H 1 2.927 0.020 . 2 . . . . 60 TYR HB2 . 15926 1 518 . 1 1 60 60 TYR HB3 H 1 3.312 0.020 . 2 . . . . 60 TYR HB3 . 15926 1 519 . 1 1 60 60 TYR HD1 H 1 6.719 0.020 . 1 . . . . 60 TYR HD1 . 15926 1 520 . 1 1 60 60 TYR HD2 H 1 6.719 0.020 . 1 . . . . 60 TYR HD2 . 15926 1 521 . 1 1 60 60 TYR HE1 H 1 6.496 0.020 . 1 . . . . 60 TYR HE1 . 15926 1 522 . 1 1 60 60 TYR HE2 H 1 6.496 0.020 . 1 . . . . 60 TYR HE2 . 15926 1 523 . 1 1 60 60 TYR N N 15 118.616 0.400 . 1 . . . . 60 TYR N . 15926 1 524 . 1 1 61 61 ILE H H 1 7.985 0.020 . 1 . . . . 61 ILE H . 15926 1 525 . 1 1 61 61 ILE HA H 1 3.638 0.020 . 1 . . . . 61 ILE HA . 15926 1 526 . 1 1 61 61 ILE HB H 1 2.055 0.020 . 1 . . . . 61 ILE HB . 15926 1 527 . 1 1 61 61 ILE HD11 H 1 0.883 0.020 . 1 . . . . 61 ILE HD1 . 15926 1 528 . 1 1 61 61 ILE HD12 H 1 0.883 0.020 . 1 . . . . 61 ILE HD1 . 15926 1 529 . 1 1 61 61 ILE HD13 H 1 0.883 0.020 . 1 . . . . 61 ILE HD1 . 15926 1 530 . 1 1 61 61 ILE HG12 H 1 1.646 0.020 . 1 . . . . 61 ILE HG12 . 15926 1 531 . 1 1 61 61 ILE HG13 H 1 1.458 0.020 . 1 . . . . 61 ILE HG13 . 15926 1 532 . 1 1 61 61 ILE HG21 H 1 1.147 0.020 . 1 . . . . 61 ILE HG2 . 15926 1 533 . 1 1 61 61 ILE HG22 H 1 1.147 0.020 . 1 . . . . 61 ILE HG2 . 15926 1 534 . 1 1 61 61 ILE HG23 H 1 1.147 0.020 . 1 . . . . 61 ILE HG2 . 15926 1 535 . 1 1 61 61 ILE N N 15 115.242 0.400 . 1 . . . . 61 ILE N . 15926 1 536 . 1 1 62 62 GLU H H 1 7.409 0.020 . 1 . . . . 62 GLU H . 15926 1 537 . 1 1 62 62 GLU HA H 1 4.056 0.020 . 1 . . . . 62 GLU HA . 15926 1 538 . 1 1 62 62 GLU HB2 H 1 1.807 0.020 . 2 . . . . 62 GLU HB2 . 15926 1 539 . 1 1 62 62 GLU HB3 H 1 1.945 0.020 . 2 . . . . 62 GLU HB3 . 15926 1 540 . 1 1 62 62 GLU HG2 H 1 2.025 0.020 . 2 . . . . 62 GLU HG2 . 15926 1 541 . 1 1 62 62 GLU HG3 H 1 2.025 0.020 . 2 . . . . 62 GLU HG3 . 15926 1 542 . 1 1 62 62 GLU N N 15 118.370 0.400 . 1 . . . . 62 GLU N . 15926 1 543 . 1 1 63 63 GLN H H 1 7.320 0.020 . 1 . . . . 63 GLN H . 15926 1 544 . 1 1 63 63 GLN HA H 1 4.583 0.020 . 1 . . . . 63 GLN HA . 15926 1 545 . 1 1 63 63 GLN HB2 H 1 2.089 0.020 . 2 . . . . 63 GLN HB2 . 15926 1 546 . 1 1 63 63 GLN HB3 H 1 2.187 0.020 . 2 . . . . 63 GLN HB3 . 15926 1 547 . 1 1 63 63 GLN HE21 H 1 6.967 0.020 . 1 . . . . 63 GLN HE21 . 15926 1 548 . 1 1 63 63 GLN HE22 H 1 7.262 0.020 . 1 . . . . 63 GLN HE22 . 15926 1 549 . 1 1 63 63 GLN HG2 H 1 2.637 0.020 . 2 . . . . 63 GLN HG2 . 15926 1 550 . 1 1 63 63 GLN HG3 H 1 2.336 0.020 . 2 . . . . 63 GLN HG3 . 15926 1 551 . 1 1 63 63 GLN N N 15 118.398 0.400 . 1 . . . . 63 GLN N . 15926 1 552 . 1 1 63 63 GLN NE2 N 15 109.941 0.400 . 1 . . . . 63 GLN NE2 . 15926 1 553 . 1 1 64 64 SER H H 1 8.134 0.020 . 1 . . . . 64 SER H . 15926 1 554 . 1 1 64 64 SER HA H 1 4.122 0.020 . 1 . . . . 64 SER HA . 15926 1 555 . 1 1 64 64 SER HB2 H 1 3.658 0.020 . 2 . . . . 64 SER HB2 . 15926 1 556 . 1 1 64 64 SER HB3 H 1 3.816 0.020 . 2 . . . . 64 SER HB3 . 15926 1 557 . 1 1 64 64 SER N N 15 115.490 0.400 . 1 . . . . 64 SER N . 15926 1 558 . 1 1 65 65 LYS H H 1 8.663 0.020 . 1 . . . . 65 LYS H . 15926 1 559 . 1 1 65 65 LYS HA H 1 4.132 0.020 . 1 . . . . 65 LYS HA . 15926 1 560 . 1 1 65 65 LYS HB2 H 1 1.541 0.020 . 2 . . . . 65 LYS HB2 . 15926 1 561 . 1 1 65 65 LYS HB3 H 1 1.685 0.020 . 2 . . . . 65 LYS HB3 . 15926 1 562 . 1 1 65 65 LYS N N 15 122.473 0.400 . 1 . . . . 65 LYS N . 15926 1 563 . 1 1 66 66 ASN H H 1 8.010 0.020 . 1 . . . . 66 ASN H . 15926 1 564 . 1 1 66 66 ASN HA H 1 3.809 0.020 . 1 . . . . 66 ASN HA . 15926 1 565 . 1 1 66 66 ASN HB2 H 1 3.044 0.020 . 2 . . . . 66 ASN HB2 . 15926 1 566 . 1 1 66 66 ASN HB3 H 1 2.703 0.020 . 2 . . . . 66 ASN HB3 . 15926 1 567 . 1 1 66 66 ASN HD21 H 1 7.646 0.020 . 2 . . . . 66 ASN HD21 . 15926 1 568 . 1 1 66 66 ASN HD22 H 1 6.919 0.020 . 2 . . . . 66 ASN HD22 . 15926 1 569 . 1 1 66 66 ASN N N 15 117.420 0.400 . 1 . . . . 66 ASN N . 15926 1 570 . 1 1 66 66 ASN ND2 N 15 113.791 0.400 . 1 . . . . 66 ASN ND2 . 15926 1 571 . 1 1 67 67 CYS H H 1 7.649 0.020 . 1 . . . . 67 CYS H . 15926 1 572 . 1 1 67 67 CYS HA H 1 5.108 0.020 . 1 . . . . 67 CYS HA . 15926 1 573 . 1 1 67 67 CYS HB2 H 1 3.433 0.020 . 1 . . . . 67 CYS HB2 . 15926 1 574 . 1 1 67 67 CYS HB3 H 1 2.836 0.020 . 1 . . . . 67 CYS HB3 . 15926 1 575 . 1 1 67 67 CYS N N 15 116.684 0.400 . 1 . . . . 67 CYS N . 15926 1 576 . 1 1 68 68 SER H H 1 8.891 0.020 . 1 . . . . 68 SER H . 15926 1 577 . 1 1 68 68 SER HA H 1 4.379 0.020 . 1 . . . . 68 SER HA . 15926 1 578 . 1 1 68 68 SER HB2 H 1 3.847 0.020 . 2 . . . . 68 SER HB2 . 15926 1 579 . 1 1 68 68 SER HB3 H 1 4.020 0.020 . 2 . . . . 68 SER HB3 . 15926 1 580 . 1 1 68 68 SER N N 15 115.241 0.400 . 1 . . . . 68 SER N . 15926 1 581 . 1 1 69 69 TYR H H 1 9.864 0.020 . 1 . . . . 69 TYR H . 15926 1 582 . 1 1 69 69 TYR HA H 1 4.569 0.020 . 1 . . . . 69 TYR HA . 15926 1 583 . 1 1 69 69 TYR HB2 H 1 3.412 0.020 . 2 . . . . 69 TYR HB2 . 15926 1 584 . 1 1 69 69 TYR HB3 H 1 3.074 0.020 . 2 . . . . 69 TYR HB3 . 15926 1 585 . 1 1 69 69 TYR HD1 H 1 7.199 0.020 . 1 . . . . 69 TYR HD1 . 15926 1 586 . 1 1 69 69 TYR HD2 H 1 7.199 0.020 . 1 . . . . 69 TYR HD2 . 15926 1 587 . 1 1 69 69 TYR HE1 H 1 6.797 0.020 . 1 . . . . 69 TYR HE1 . 15926 1 588 . 1 1 69 69 TYR HE2 H 1 6.797 0.020 . 1 . . . . 69 TYR HE2 . 15926 1 589 . 1 1 69 69 TYR N N 15 124.277 0.400 . 1 . . . . 69 TYR N . 15926 1 590 . 1 1 70 70 CYS H H 1 7.841 0.020 . 1 . . . . 70 CYS H . 15926 1 591 . 1 1 70 70 CYS HA H 1 4.920 0.020 . 1 . . . . 70 CYS HA . 15926 1 592 . 1 1 70 70 CYS HB2 H 1 3.366 0.020 . 2 . . . . 70 CYS HB2 . 15926 1 593 . 1 1 70 70 CYS HB3 H 1 2.648 0.020 . 2 . . . . 70 CYS HB3 . 15926 1 594 . 1 1 70 70 CYS N N 15 115.300 0.400 . 1 . . . . 70 CYS N . 15926 1 595 . 1 1 71 71 SER H H 1 8.032 0.020 . 1 . . . . 71 SER H . 15926 1 596 . 1 1 71 71 SER HA H 1 4.673 0.020 . 1 . . . . 71 SER HA . 15926 1 597 . 1 1 71 71 SER HB2 H 1 3.804 0.020 . 2 . . . . 71 SER HB2 . 15926 1 598 . 1 1 71 71 SER HB3 H 1 3.892 0.020 . 2 . . . . 71 SER HB3 . 15926 1 599 . 1 1 71 71 SER N N 15 119.327 0.400 . 1 . . . . 71 SER N . 15926 1 600 . 1 1 72 72 GLU H H 1 8.701 0.020 . 1 . . . . 72 GLU H . 15926 1 601 . 1 1 72 72 GLU HA H 1 4.459 0.020 . 1 . . . . 72 GLU HA . 15926 1 602 . 1 1 72 72 GLU HB2 H 1 1.904 0.020 . 2 . . . . 72 GLU HB2 . 15926 1 603 . 1 1 72 72 GLU HB3 H 1 2.252 0.020 . 2 . . . . 72 GLU HB3 . 15926 1 604 . 1 1 72 72 GLU HG2 H 1 2.292 0.020 . 2 . . . . 72 GLU HG2 . 15926 1 605 . 1 1 72 72 GLU HG3 H 1 2.292 0.020 . 2 . . . . 72 GLU HG3 . 15926 1 606 . 1 1 72 72 GLU N N 15 122.947 0.400 . 1 . . . . 72 GLU N . 15926 1 607 . 1 1 73 73 ASP H H 1 8.053 0.020 . 1 . . . . 73 ASP H . 15926 1 608 . 1 1 73 73 ASP HA H 1 4.529 0.020 . 1 . . . . 73 ASP HA . 15926 1 609 . 1 1 73 73 ASP HB2 H 1 2.621 0.020 . 2 . . . . 73 ASP HB2 . 15926 1 610 . 1 1 73 73 ASP HB3 H 1 2.786 0.020 . 2 . . . . 73 ASP HB3 . 15926 1 611 . 1 1 73 73 ASP N N 15 120.929 0.400 . 1 . . . . 73 ASP N . 15926 1 612 . 1 1 74 74 GLU H H 1 8.754 0.020 . 1 . . . . 74 GLU H . 15926 1 613 . 1 1 74 74 GLU HA H 1 4.251 0.020 . 1 . . . . 74 GLU HA . 15926 1 614 . 1 1 74 74 GLU HB2 H 1 1.984 0.020 . 2 . . . . 74 GLU HB2 . 15926 1 615 . 1 1 74 74 GLU HB3 H 1 2.122 0.020 . 2 . . . . 74 GLU HB3 . 15926 1 616 . 1 1 74 74 GLU HG2 H 1 2.285 0.020 . 2 . . . . 74 GLU HG2 . 15926 1 617 . 1 1 74 74 GLU HG3 H 1 2.321 0.020 . 2 . . . . 74 GLU HG3 . 15926 1 618 . 1 1 74 74 GLU N N 15 122.241 0.400 . 1 . . . . 74 GLU N . 15926 1 619 . 1 1 75 75 ASN H H 1 8.564 0.020 . 1 . . . . 75 ASN H . 15926 1 620 . 1 1 75 75 ASN HA H 1 4.803 0.020 . 1 . . . . 75 ASN HA . 15926 1 621 . 1 1 75 75 ASN HB2 H 1 2.846 0.020 . 2 . . . . 75 ASN HB2 . 15926 1 622 . 1 1 75 75 ASN HB3 H 1 2.846 0.020 . 2 . . . . 75 ASN HB3 . 15926 1 623 . 1 1 75 75 ASN HD21 H 1 7.518 0.020 . 2 . . . . 75 ASN HD21 . 15926 1 624 . 1 1 75 75 ASN HD22 H 1 6.890 0.020 . 2 . . . . 75 ASN HD22 . 15926 1 625 . 1 1 75 75 ASN N N 15 117.681 0.400 . 1 . . . . 75 ASN N . 15926 1 626 . 1 1 75 75 ASN ND2 N 15 113.077 0.400 . 1 . . . . 75 ASN ND2 . 15926 1 627 . 1 1 76 76 CYS H H 1 7.923 0.020 . 1 . . . . 76 CYS H . 15926 1 628 . 1 1 76 76 CYS HA H 1 4.377 0.020 . 1 . . . . 76 CYS HA . 15926 1 629 . 1 1 76 76 CYS HB2 H 1 2.855 0.020 . 2 . . . . 76 CYS HB2 . 15926 1 630 . 1 1 76 76 CYS HB3 H 1 2.931 0.020 . 2 . . . . 76 CYS HB3 . 15926 1 631 . 1 1 76 76 CYS N N 15 120.055 0.400 . 1 . . . . 76 CYS N . 15926 1 632 . 1 1 77 77 ASN H H 1 8.717 0.020 . 1 . . . . 77 ASN H . 15926 1 633 . 1 1 77 77 ASN HA H 1 4.759 0.020 . 1 . . . . 77 ASN HA . 15926 1 634 . 1 1 77 77 ASN HB2 H 1 2.821 0.020 . 2 . . . . 77 ASN HB2 . 15926 1 635 . 1 1 77 77 ASN HB3 H 1 2.919 0.020 . 2 . . . . 77 ASN HB3 . 15926 1 636 . 1 1 77 77 ASN HD21 H 1 7.530 0.020 . 2 . . . . 77 ASN HD21 . 15926 1 637 . 1 1 77 77 ASN HD22 H 1 6.884 0.020 . 2 . . . . 77 ASN HD22 . 15926 1 638 . 1 1 77 77 ASN N N 15 122.469 0.400 . 1 . . . . 77 ASN N . 15926 1 639 . 1 1 77 77 ASN ND2 N 15 112.402 0.400 . 1 . . . . 77 ASN ND2 . 15926 1 640 . 1 1 78 78 ASN H H 1 8.564 0.020 . 1 . . . . 78 ASN H . 15926 1 641 . 1 1 78 78 ASN HA H 1 4.772 0.020 . 1 . . . . 78 ASN HA . 15926 1 642 . 1 1 78 78 ASN HB2 H 1 2.818 0.020 . 2 . . . . 78 ASN HB2 . 15926 1 643 . 1 1 78 78 ASN HB3 H 1 2.936 0.020 . 2 . . . . 78 ASN HB3 . 15926 1 644 . 1 1 78 78 ASN HD21 H 1 7.642 0.020 . 2 . . . . 78 ASN HD21 . 15926 1 645 . 1 1 78 78 ASN HD22 H 1 7.084 0.020 . 2 . . . . 78 ASN HD22 . 15926 1 646 . 1 1 78 78 ASN N N 15 121.986 0.400 . 1 . . . . 78 ASN N . 15926 1 647 . 1 1 78 78 ASN ND2 N 15 112.701 0.400 . 1 . . . . 78 ASN ND2 . 15926 1 648 . 1 1 79 79 LEU H H 1 8.160 0.020 . 1 . . . . 79 LEU H . 15926 1 649 . 1 1 79 79 LEU HA H 1 4.282 0.020 . 1 . . . . 79 LEU HA . 15926 1 650 . 1 1 79 79 LEU HB2 H 1 1.640 0.020 . 2 . . . . 79 LEU HB2 . 15926 1 651 . 1 1 79 79 LEU HB3 H 1 1.593 0.020 . 2 . . . . 79 LEU HB3 . 15926 1 652 . 1 1 79 79 LEU HD11 H 1 0.876 0.020 . 2 . . . . 79 LEU HD1 . 15926 1 653 . 1 1 79 79 LEU HD12 H 1 0.876 0.020 . 2 . . . . 79 LEU HD1 . 15926 1 654 . 1 1 79 79 LEU HD13 H 1 0.876 0.020 . 2 . . . . 79 LEU HD1 . 15926 1 655 . 1 1 79 79 LEU HD21 H 1 0.813 0.020 . 2 . . . . 79 LEU HD2 . 15926 1 656 . 1 1 79 79 LEU HD22 H 1 0.813 0.020 . 2 . . . . 79 LEU HD2 . 15926 1 657 . 1 1 79 79 LEU HD23 H 1 0.813 0.020 . 2 . . . . 79 LEU HD2 . 15926 1 658 . 1 1 79 79 LEU HG H 1 1.499 0.020 . 1 . . . . 79 LEU HG . 15926 1 659 . 1 1 79 79 LEU N N 15 122.221 0.400 . 1 . . . . 79 LEU N . 15926 1 660 . 1 1 80 80 LEU H H 1 8.034 0.020 . 1 . . . . 80 LEU H . 15926 1 661 . 1 1 80 80 LEU HA H 1 4.391 0.020 . 1 . . . . 80 LEU HA . 15926 1 662 . 1 1 80 80 LEU HB2 H 1 1.364 0.020 . 2 . . . . 80 LEU HB2 . 15926 1 663 . 1 1 80 80 LEU HB3 H 1 1.462 0.020 . 2 . . . . 80 LEU HB3 . 15926 1 664 . 1 1 80 80 LEU HD11 H 1 0.395 0.020 . 2 . . . . 80 LEU HD1 . 15926 1 665 . 1 1 80 80 LEU HD12 H 1 0.395 0.020 . 2 . . . . 80 LEU HD1 . 15926 1 666 . 1 1 80 80 LEU HD13 H 1 0.395 0.020 . 2 . . . . 80 LEU HD1 . 15926 1 667 . 1 1 80 80 LEU HD21 H 1 0.456 0.020 . 2 . . . . 80 LEU HD2 . 15926 1 668 . 1 1 80 80 LEU HD22 H 1 0.456 0.020 . 2 . . . . 80 LEU HD2 . 15926 1 669 . 1 1 80 80 LEU HD23 H 1 0.456 0.020 . 2 . . . . 80 LEU HD2 . 15926 1 670 . 1 1 80 80 LEU HG H 1 1.247 0.020 . 1 . . . . 80 LEU HG . 15926 1 671 . 1 1 80 80 LEU N N 15 121.024 0.400 . 1 . . . . 80 LEU N . 15926 1 672 . 1 1 81 81 GLU H H 1 8.105 0.020 . 1 . . . . 81 GLU H . 15926 1 673 . 1 1 81 81 GLU HA H 1 4.298 0.020 . 1 . . . . 81 GLU HA . 15926 1 674 . 1 1 81 81 GLU HB2 H 1 2.051 0.020 . 2 . . . . 81 GLU HB2 . 15926 1 675 . 1 1 81 81 GLU HB3 H 1 2.051 0.020 . 2 . . . . 81 GLU HB3 . 15926 1 676 . 1 1 81 81 GLU HG2 H 1 2.195 0.020 . 2 . . . . 81 GLU HG2 . 15926 1 677 . 1 1 81 81 GLU HG3 H 1 2.318 0.020 . 2 . . . . 81 GLU HG3 . 15926 1 678 . 1 1 81 81 GLU N N 15 122.466 0.400 . 1 . . . . 81 GLU N . 15926 1 679 . 1 1 82 82 GLY H H 1 8.274 0.020 . 1 . . . . 82 GLY H . 15926 1 680 . 1 1 82 82 GLY HA2 H 1 3.852 0.020 . 2 . . . . 82 GLY HA2 . 15926 1 681 . 1 1 82 82 GLY HA3 H 1 3.988 0.020 . 2 . . . . 82 GLY HA3 . 15926 1 682 . 1 1 82 82 GLY N N 15 112.347 0.400 . 1 . . . . 82 GLY N . 15926 1 683 . 1 1 83 83 TYR H H 1 7.850 0.020 . 1 . . . . 83 TYR H . 15926 1 684 . 1 1 83 83 TYR HA H 1 5.113 0.020 . 1 . . . . 83 TYR HA . 15926 1 685 . 1 1 83 83 TYR HB2 H 1 2.756 0.020 . 2 . . . . 83 TYR HB2 . 15926 1 686 . 1 1 83 83 TYR HB3 H 1 2.756 0.020 . 2 . . . . 83 TYR HB3 . 15926 1 687 . 1 1 83 83 TYR HD1 H 1 7.346 0.020 . 1 . . . . 83 TYR HD1 . 15926 1 688 . 1 1 83 83 TYR HD2 H 1 7.346 0.020 . 1 . . . . 83 TYR HD2 . 15926 1 689 . 1 1 83 83 TYR HE1 H 1 7.212 0.020 . 1 . . . . 83 TYR HE1 . 15926 1 690 . 1 1 83 83 TYR HE2 H 1 7.212 0.020 . 1 . . . . 83 TYR HE2 . 15926 1 691 . 1 1 83 83 TYR N N 15 118.873 0.400 . 1 . . . . 83 TYR N . 15926 1 692 . 1 1 84 84 HIS H H 1 9.473 0.020 . 1 . . . . 84 HIS H . 15926 1 693 . 1 1 84 84 HIS HA H 1 5.117 0.020 . 1 . . . . 84 HIS HA . 15926 1 694 . 1 1 84 84 HIS HB2 H 1 1.878 0.020 . 2 . . . . 84 HIS HB2 . 15926 1 695 . 1 1 84 84 HIS HB3 H 1 2.890 0.020 . 2 . . . . 84 HIS HB3 . 15926 1 696 . 1 1 84 84 HIS HD2 H 1 6.521 0.020 . 1 . . . . 84 HIS HD2 . 15926 1 697 . 1 1 84 84 HIS HE1 H 1 8.164 0.020 . 1 . . . . 84 HIS HE1 . 15926 1 698 . 1 1 84 84 HIS N N 15 120.297 0.400 . 1 . . . . 84 HIS N . 15926 1 699 . 1 1 85 85 PRO HA H 1 4.678 0.020 . 1 . . . . 85 PRO HA . 15926 1 700 . 1 1 85 85 PRO HB2 H 1 1.975 0.020 . 2 . . . . 85 PRO HB2 . 15926 1 701 . 1 1 85 85 PRO HB3 H 1 1.801 0.020 . 2 . . . . 85 PRO HB3 . 15926 1 702 . 1 1 85 85 PRO HD2 H 1 3.813 0.020 . 2 . . . . 85 PRO HD2 . 15926 1 703 . 1 1 85 85 PRO HD3 H 1 3.912 0.020 . 2 . . . . 85 PRO HD3 . 15926 1 704 . 1 1 85 85 PRO HG2 H 1 1.688 0.020 . 2 . . . . 85 PRO HG2 . 15926 1 705 . 1 1 85 85 PRO HG3 H 1 1.729 0.020 . 2 . . . . 85 PRO HG3 . 15926 1 706 . 1 1 86 86 LYS H H 1 9.027 0.020 . 1 . . . . 86 LYS H . 15926 1 707 . 1 1 86 86 LYS HA H 1 4.709 0.020 . 1 . . . . 86 LYS HA . 15926 1 708 . 1 1 86 86 LYS HB2 H 1 1.841 0.020 . 2 . . . . 86 LYS HB2 . 15926 1 709 . 1 1 86 86 LYS HB3 H 1 1.903 0.020 . 2 . . . . 86 LYS HB3 . 15926 1 710 . 1 1 86 86 LYS HD2 H 1 1.474 0.020 . 2 . . . . 86 LYS HD2 . 15926 1 711 . 1 1 86 86 LYS HD3 H 1 1.513 0.020 . 2 . . . . 86 LYS HD3 . 15926 1 712 . 1 1 86 86 LYS HE2 H 1 2.770 0.020 . 2 . . . . 86 LYS HE2 . 15926 1 713 . 1 1 86 86 LYS HE3 H 1 2.813 0.020 . 2 . . . . 86 LYS HE3 . 15926 1 714 . 1 1 86 86 LYS HG2 H 1 1.193 0.020 . 2 . . . . 86 LYS HG2 . 15926 1 715 . 1 1 86 86 LYS HG3 H 1 1.355 0.020 . 2 . . . . 86 LYS HG3 . 15926 1 716 . 1 1 86 86 LYS N N 15 119.573 0.400 . 1 . . . . 86 LYS N . 15926 1 717 . 1 1 87 87 LEU H H 1 7.785 0.020 . 1 . . . . 87 LEU H . 15926 1 718 . 1 1 87 87 LEU HA H 1 4.414 0.020 . 1 . . . . 87 LEU HA . 15926 1 719 . 1 1 87 87 LEU HB2 H 1 0.319 0.020 . 1 . . . . 87 LEU HB2 . 15926 1 720 . 1 1 87 87 LEU HB3 H 1 -0.598 0.020 . 1 . . . . 87 LEU HB3 . 15926 1 721 . 1 1 87 87 LEU HD11 H 1 -0.092 0.020 . 2 . . . . 87 LEU HD1 . 15926 1 722 . 1 1 87 87 LEU HD12 H 1 -0.092 0.020 . 2 . . . . 87 LEU HD1 . 15926 1 723 . 1 1 87 87 LEU HD13 H 1 -0.092 0.020 . 2 . . . . 87 LEU HD1 . 15926 1 724 . 1 1 87 87 LEU HD21 H 1 -0.025 0.020 . 2 . . . . 87 LEU HD2 . 15926 1 725 . 1 1 87 87 LEU HD22 H 1 -0.025 0.020 . 2 . . . . 87 LEU HD2 . 15926 1 726 . 1 1 87 87 LEU HD23 H 1 -0.025 0.020 . 2 . . . . 87 LEU HD2 . 15926 1 727 . 1 1 87 87 LEU N N 15 123.673 0.400 . 1 . . . . 87 LEU N . 15926 1 728 . 1 1 88 88 VAL H H 1 8.443 0.020 . 1 . . . . 88 VAL H . 15926 1 729 . 1 1 88 88 VAL HA H 1 4.616 0.020 . 1 . . . . 88 VAL HA . 15926 1 730 . 1 1 88 88 VAL HB H 1 1.938 0.020 . 1 . . . . 88 VAL HB . 15926 1 731 . 1 1 88 88 VAL HG11 H 1 0.768 0.020 . 1 . . . . 88 VAL HG1 . 15926 1 732 . 1 1 88 88 VAL HG12 H 1 0.768 0.020 . 1 . . . . 88 VAL HG1 . 15926 1 733 . 1 1 88 88 VAL HG13 H 1 0.768 0.020 . 1 . . . . 88 VAL HG1 . 15926 1 734 . 1 1 88 88 VAL HG21 H 1 0.667 0.020 . 1 . . . . 88 VAL HG2 . 15926 1 735 . 1 1 88 88 VAL HG22 H 1 0.667 0.020 . 1 . . . . 88 VAL HG2 . 15926 1 736 . 1 1 88 88 VAL HG23 H 1 0.667 0.020 . 1 . . . . 88 VAL HG2 . 15926 1 737 . 1 1 88 88 VAL N N 15 115.720 0.400 . 1 . . . . 88 VAL N . 15926 1 738 . 1 1 89 89 VAL H H 1 8.621 0.020 . 1 . . . . 89 VAL H . 15926 1 739 . 1 1 89 89 VAL HA H 1 4.471 0.020 . 1 . . . . 89 VAL HA . 15926 1 740 . 1 1 89 89 VAL HB H 1 1.991 0.020 . 1 . . . . 89 VAL HB . 15926 1 741 . 1 1 89 89 VAL HG11 H 1 0.838 0.020 . 2 . . . . 89 VAL HG1 . 15926 1 742 . 1 1 89 89 VAL HG12 H 1 0.838 0.020 . 2 . . . . 89 VAL HG1 . 15926 1 743 . 1 1 89 89 VAL HG13 H 1 0.838 0.020 . 2 . . . . 89 VAL HG1 . 15926 1 744 . 1 1 89 89 VAL HG21 H 1 0.838 0.020 . 2 . . . . 89 VAL HG2 . 15926 1 745 . 1 1 89 89 VAL HG22 H 1 0.838 0.020 . 2 . . . . 89 VAL HG2 . 15926 1 746 . 1 1 89 89 VAL HG23 H 1 0.838 0.020 . 2 . . . . 89 VAL HG2 . 15926 1 747 . 1 1 89 89 VAL N N 15 122.477 0.400 . 1 . . . . 89 VAL N . 15926 1 748 . 1 1 90 90 ASN H H 1 8.721 0.020 . 1 . . . . 90 ASN H . 15926 1 749 . 1 1 90 90 ASN HA H 1 5.020 0.020 . 1 . . . . 90 ASN HA . 15926 1 750 . 1 1 90 90 ASN HB2 H 1 2.570 0.020 . 1 . . . . 90 ASN HB2 . 15926 1 751 . 1 1 90 90 ASN HB3 H 1 2.693 0.020 . 1 . . . . 90 ASN HB3 . 15926 1 752 . 1 1 90 90 ASN HD21 H 1 8.164 0.020 . 2 . . . . 90 ASN HD21 . 15926 1 753 . 1 1 90 90 ASN HD22 H 1 6.869 0.020 . 2 . . . . 90 ASN HD22 . 15926 1 754 . 1 1 90 90 ASN N N 15 127.524 0.400 . 1 . . . . 90 ASN N . 15926 1 755 . 1 1 90 90 ASN ND2 N 15 114.039 0.400 . 1 . . . . 90 ASN ND2 . 15926 1 756 . 1 1 91 91 GLY H H 1 9.006 0.020 . 1 . . . . 91 GLY H . 15926 1 757 . 1 1 91 91 GLY HA2 H 1 3.639 0.020 . 2 . . . . 91 GLY HA2 . 15926 1 758 . 1 1 91 91 GLY HA3 H 1 3.993 0.020 . 2 . . . . 91 GLY HA3 . 15926 1 759 . 1 1 91 91 GLY N N 15 115.517 0.400 . 1 . . . . 91 GLY N . 15926 1 760 . 1 1 92 92 ARG H H 1 8.675 0.020 . 1 . . . . 92 ARG H . 15926 1 761 . 1 1 92 92 ARG HA H 1 4.530 0.020 . 1 . . . . 92 ARG HA . 15926 1 762 . 1 1 92 92 ARG HB2 H 1 1.734 0.020 . 2 . . . . 92 ARG HB2 . 15926 1 763 . 1 1 92 92 ARG HB3 H 1 2.216 0.020 . 2 . . . . 92 ARG HB3 . 15926 1 764 . 1 1 92 92 ARG HD2 H 1 3.205 0.020 . 2 . . . . 92 ARG HD2 . 15926 1 765 . 1 1 92 92 ARG HD3 H 1 3.241 0.020 . 2 . . . . 92 ARG HD3 . 15926 1 766 . 1 1 92 92 ARG HG2 H 1 1.689 0.020 . 2 . . . . 92 ARG HG2 . 15926 1 767 . 1 1 92 92 ARG HG3 H 1 1.689 0.020 . 2 . . . . 92 ARG HG3 . 15926 1 768 . 1 1 92 92 ARG N N 15 125.836 0.400 . 1 . . . . 92 ARG N . 15926 1 769 . 1 1 93 93 SER H H 1 7.875 0.020 . 1 . . . . 93 SER H . 15926 1 770 . 1 1 93 93 SER HA H 1 4.707 0.020 . 1 . . . . 93 SER HA . 15926 1 771 . 1 1 93 93 SER HB2 H 1 3.789 0.020 . 2 . . . . 93 SER HB2 . 15926 1 772 . 1 1 93 93 SER HB3 H 1 3.933 0.020 . 2 . . . . 93 SER HB3 . 15926 1 773 . 1 1 93 93 SER N N 15 114.996 0.400 . 1 . . . . 93 SER N . 15926 1 774 . 1 1 94 94 ILE H H 1 7.943 0.020 . 1 . . . . 94 ILE H . 15926 1 775 . 1 1 94 94 ILE HA H 1 4.694 0.020 . 1 . . . . 94 ILE HA . 15926 1 776 . 1 1 94 94 ILE HB H 1 1.638 0.020 . 1 . . . . 94 ILE HB . 15926 1 777 . 1 1 94 94 ILE HD11 H 1 0.929 0.020 . 1 . . . . 94 ILE HD1 . 15926 1 778 . 1 1 94 94 ILE HD12 H 1 0.929 0.020 . 1 . . . . 94 ILE HD1 . 15926 1 779 . 1 1 94 94 ILE HD13 H 1 0.929 0.020 . 1 . . . . 94 ILE HD1 . 15926 1 780 . 1 1 94 94 ILE HG12 H 1 0.996 0.020 . 1 . . . . 94 ILE HG12 . 15926 1 781 . 1 1 94 94 ILE HG13 H 1 0.891 0.020 . 1 . . . . 94 ILE HG13 . 15926 1 782 . 1 1 94 94 ILE HG21 H 1 0.769 0.020 . 1 . . . . 94 ILE HG2 . 15926 1 783 . 1 1 94 94 ILE HG22 H 1 0.769 0.020 . 1 . . . . 94 ILE HG2 . 15926 1 784 . 1 1 94 94 ILE HG23 H 1 0.769 0.020 . 1 . . . . 94 ILE HG2 . 15926 1 785 . 1 1 94 94 ILE N N 15 123.668 0.400 . 1 . . . . 94 ILE N . 15926 1 786 . 1 1 95 95 ASP H H 1 8.975 0.020 . 1 . . . . 95 ASP H . 15926 1 787 . 1 1 95 95 ASP HA H 1 4.995 0.020 . 1 . . . . 95 ASP HA . 15926 1 788 . 1 1 95 95 ASP HB2 H 1 2.255 0.020 . 1 . . . . 95 ASP HB2 . 15926 1 789 . 1 1 95 95 ASP HB3 H 1 2.580 0.020 . 1 . . . . 95 ASP HB3 . 15926 1 790 . 1 1 95 95 ASP N N 15 128.002 0.400 . 1 . . . . 95 ASP N . 15926 1 791 . 1 1 96 96 ILE H H 1 8.672 0.020 . 1 . . . . 96 ILE H . 15926 1 792 . 1 1 96 96 ILE HA H 1 4.669 0.020 . 1 . . . . 96 ILE HA . 15926 1 793 . 1 1 96 96 ILE HB H 1 1.552 0.020 . 1 . . . . 96 ILE HB . 15926 1 794 . 1 1 96 96 ILE HD11 H 1 1.002 0.020 . 1 . . . . 96 ILE HD1 . 15926 1 795 . 1 1 96 96 ILE HD12 H 1 1.002 0.020 . 1 . . . . 96 ILE HD1 . 15926 1 796 . 1 1 96 96 ILE HD13 H 1 1.002 0.020 . 1 . . . . 96 ILE HD1 . 15926 1 797 . 1 1 96 96 ILE HG12 H 1 0.718 0.020 . 1 . . . . 96 ILE HG12 . 15926 1 798 . 1 1 96 96 ILE HG13 H 1 1.457 0.020 . 1 . . . . 96 ILE HG13 . 15926 1 799 . 1 1 96 96 ILE HG21 H 1 0.564 0.020 . 1 . . . . 96 ILE HG2 . 15926 1 800 . 1 1 96 96 ILE HG22 H 1 0.564 0.020 . 1 . . . . 96 ILE HG2 . 15926 1 801 . 1 1 96 96 ILE HG23 H 1 0.564 0.020 . 1 . . . . 96 ILE HG2 . 15926 1 802 . 1 1 96 96 ILE N N 15 118.150 0.400 . 1 . . . . 96 ILE N . 15926 1 803 . 1 1 97 97 GLU H H 1 8.990 0.020 . 1 . . . . 97 GLU H . 15926 1 804 . 1 1 97 97 GLU HA H 1 4.604 0.020 . 1 . . . . 97 GLU HA . 15926 1 805 . 1 1 97 97 GLU HB2 H 1 1.977 0.020 . 2 . . . . 97 GLU HB2 . 15926 1 806 . 1 1 97 97 GLU HB3 H 1 1.709 0.020 . 2 . . . . 97 GLU HB3 . 15926 1 807 . 1 1 97 97 GLU HG2 H 1 2.169 0.020 . 2 . . . . 97 GLU HG2 . 15926 1 808 . 1 1 97 97 GLU HG3 H 1 2.169 0.020 . 2 . . . . 97 GLU HG3 . 15926 1 809 . 1 1 97 97 GLU N N 15 128.072 0.400 . 1 . . . . 97 GLU N . 15926 1 810 . 1 1 98 98 TYR H H 1 8.544 0.020 . 1 . . . . 98 TYR H . 15926 1 811 . 1 1 98 98 TYR HA H 1 5.662 0.020 . 1 . . . . 98 TYR HA . 15926 1 812 . 1 1 98 98 TYR HB2 H 1 2.775 0.020 . 1 . . . . 98 TYR HB2 . 15926 1 813 . 1 1 98 98 TYR HB3 H 1 2.597 0.020 . 1 . . . . 98 TYR HB3 . 15926 1 814 . 1 1 98 98 TYR HD1 H 1 6.766 0.020 . 1 . . . . 98 TYR HD1 . 15926 1 815 . 1 1 98 98 TYR HD2 H 1 6.766 0.020 . 1 . . . . 98 TYR HD2 . 15926 1 816 . 1 1 98 98 TYR HE1 H 1 6.696 0.020 . 1 . . . . 98 TYR HE1 . 15926 1 817 . 1 1 98 98 TYR HE2 H 1 6.696 0.020 . 1 . . . . 98 TYR HE2 . 15926 1 818 . 1 1 98 98 TYR N N 15 118.130 0.400 . 1 . . . . 98 TYR N . 15926 1 819 . 1 1 99 99 TYR H H 1 9.389 0.020 . 1 . . . . 99 TYR H . 15926 1 820 . 1 1 99 99 TYR HA H 1 5.258 0.020 . 1 . . . . 99 TYR HA . 15926 1 821 . 1 1 99 99 TYR HB2 H 1 2.943 0.020 . 2 . . . . 99 TYR HB2 . 15926 1 822 . 1 1 99 99 TYR HB3 H 1 3.193 0.020 . 2 . . . . 99 TYR HB3 . 15926 1 823 . 1 1 99 99 TYR HD1 H 1 7.041 0.020 . 1 . . . . 99 TYR HD1 . 15926 1 824 . 1 1 99 99 TYR HD2 H 1 7.041 0.020 . 1 . . . . 99 TYR HD2 . 15926 1 825 . 1 1 99 99 TYR HE1 H 1 6.613 0.020 . 1 . . . . 99 TYR HE1 . 15926 1 826 . 1 1 99 99 TYR HE2 H 1 6.613 0.020 . 1 . . . . 99 TYR HE2 . 15926 1 827 . 1 1 99 99 TYR N N 15 121.021 0.400 . 1 . . . . 99 TYR N . 15926 1 828 . 1 1 100 100 GLU H H 1 8.942 0.020 . 1 . . . . 100 GLU H . 15926 1 829 . 1 1 100 100 GLU HA H 1 3.495 0.020 . 1 . . . . 100 GLU HA . 15926 1 830 . 1 1 100 100 GLU HB2 H 1 1.783 0.020 . 2 . . . . 100 GLU HB2 . 15926 1 831 . 1 1 100 100 GLU HB3 H 1 1.783 0.020 . 2 . . . . 100 GLU HB3 . 15926 1 832 . 1 1 100 100 GLU HG2 H 1 2.099 0.020 . 2 . . . . 100 GLU HG2 . 15926 1 833 . 1 1 100 100 GLU HG3 H 1 2.099 0.020 . 2 . . . . 100 GLU HG3 . 15926 1 834 . 1 1 100 100 GLU N N 15 122.954 0.400 . 1 . . . . 100 GLU N . 15926 1 835 . 1 1 101 101 CYS H H 1 7.742 0.020 . 1 . . . . 101 CYS H . 15926 1 836 . 1 1 101 101 CYS HA H 1 3.342 0.020 . 1 . . . . 101 CYS HA . 15926 1 837 . 1 1 101 101 CYS HB2 H 1 2.506 0.020 . 1 . . . . 101 CYS HB2 . 15926 1 838 . 1 1 101 101 CYS HB3 H 1 3.056 0.020 . 1 . . . . 101 CYS HB3 . 15926 1 839 . 1 1 101 101 CYS N N 15 125.649 0.400 . 1 . . . . 101 CYS N . 15926 1 840 . 1 1 102 102 PRO HA H 1 4.415 0.020 . 1 . . . . 102 PRO HA . 15926 1 841 . 1 1 102 102 PRO HB2 H 1 2.367 0.020 . 2 . . . . 102 PRO HB2 . 15926 1 842 . 1 1 102 102 PRO HB3 H 1 2.093 0.020 . 2 . . . . 102 PRO HB3 . 15926 1 843 . 1 1 102 102 PRO HD2 H 1 3.677 0.020 . 2 . . . . 102 PRO HD2 . 15926 1 844 . 1 1 102 102 PRO HD3 H 1 3.443 0.020 . 2 . . . . 102 PRO HD3 . 15926 1 845 . 1 1 102 102 PRO HG2 H 1 2.084 0.020 . 1 . . . . 102 PRO HG2 . 15926 1 846 . 1 1 102 102 PRO HG3 H 1 2.138 0.020 . 1 . . . . 102 PRO HG3 . 15926 1 847 . 1 1 103 103 VAL H H 1 8.493 0.020 . 1 . . . . 103 VAL H . 15926 1 848 . 1 1 103 103 VAL HA H 1 3.990 0.020 . 1 . . . . 103 VAL HA . 15926 1 849 . 1 1 103 103 VAL HB H 1 2.257 0.020 . 1 . . . . 103 VAL HB . 15926 1 850 . 1 1 103 103 VAL HG11 H 1 1.033 0.020 . 2 . . . . 103 VAL HG1 . 15926 1 851 . 1 1 103 103 VAL HG12 H 1 1.033 0.020 . 2 . . . . 103 VAL HG1 . 15926 1 852 . 1 1 103 103 VAL HG13 H 1 1.033 0.020 . 2 . . . . 103 VAL HG1 . 15926 1 853 . 1 1 103 103 VAL HG21 H 1 1.009 0.020 . 2 . . . . 103 VAL HG2 . 15926 1 854 . 1 1 103 103 VAL HG22 H 1 1.009 0.020 . 2 . . . . 103 VAL HG2 . 15926 1 855 . 1 1 103 103 VAL HG23 H 1 1.009 0.020 . 2 . . . . 103 VAL HG2 . 15926 1 856 . 1 1 103 103 VAL N N 15 121.026 0.400 . 1 . . . . 103 VAL N . 15926 1 857 . 1 1 104 104 LYS H H 1 7.585 0.020 . 1 . . . . 104 LYS H . 15926 1 858 . 1 1 104 104 LYS HA H 1 3.972 0.020 . 1 . . . . 104 LYS HA . 15926 1 859 . 1 1 104 104 LYS HB2 H 1 1.487 0.020 . 2 . . . . 104 LYS HB2 . 15926 1 860 . 1 1 104 104 LYS HB3 H 1 1.682 0.020 . 2 . . . . 104 LYS HB3 . 15926 1 861 . 1 1 104 104 LYS HD2 H 1 1.312 0.020 . 2 . . . . 104 LYS HD2 . 15926 1 862 . 1 1 104 104 LYS HD3 H 1 1.373 0.020 . 2 . . . . 104 LYS HD3 . 15926 1 863 . 1 1 104 104 LYS HE2 H 1 2.710 0.020 . 2 . . . . 104 LYS HE2 . 15926 1 864 . 1 1 104 104 LYS HE3 H 1 2.758 0.020 . 2 . . . . 104 LYS HE3 . 15926 1 865 . 1 1 104 104 LYS HG2 H 1 1.035 0.020 . 2 . . . . 104 LYS HG2 . 15926 1 866 . 1 1 104 104 LYS HG3 H 1 1.127 0.020 . 2 . . . . 104 LYS HG3 . 15926 1 867 . 1 1 104 104 LYS N N 15 122.941 0.400 . 1 . . . . 104 LYS N . 15926 1 868 . 1 1 105 105 ARG H H 1 7.848 0.020 . 1 . . . . 105 ARG H . 15926 1 869 . 1 1 105 105 ARG HA H 1 4.276 0.020 . 1 . . . . 105 ARG HA . 15926 1 870 . 1 1 105 105 ARG HB2 H 1 1.725 0.020 . 2 . . . . 105 ARG HB2 . 15926 1 871 . 1 1 105 105 ARG HB3 H 1 1.841 0.020 . 2 . . . . 105 ARG HB3 . 15926 1 872 . 1 1 105 105 ARG HD2 H 1 3.172 0.020 . 2 . . . . 105 ARG HD2 . 15926 1 873 . 1 1 105 105 ARG HD3 H 1 3.172 0.020 . 2 . . . . 105 ARG HD3 . 15926 1 874 . 1 1 105 105 ARG HG2 H 1 1.623 0.020 . 2 . . . . 105 ARG HG2 . 15926 1 875 . 1 1 105 105 ARG HG3 H 1 1.623 0.020 . 2 . . . . 105 ARG HG3 . 15926 1 876 . 1 1 105 105 ARG N N 15 121.986 0.400 . 1 . . . . 105 ARG N . 15926 1 877 . 1 1 106 106 LYS H H 1 7.860 0.020 . 1 . . . . 106 LYS H . 15926 1 878 . 1 1 106 106 LYS HA H 1 4.120 0.020 . 1 . . . . 106 LYS HA . 15926 1 879 . 1 1 106 106 LYS HB2 H 1 1.736 0.020 . 2 . . . . 106 LYS HB2 . 15926 1 880 . 1 1 106 106 LYS HB3 H 1 1.837 0.020 . 2 . . . . 106 LYS HB3 . 15926 1 881 . 1 1 106 106 LYS HD2 H 1 1.679 0.020 . 2 . . . . 106 LYS HD2 . 15926 1 882 . 1 1 106 106 LYS HD3 H 1 1.679 0.020 . 2 . . . . 106 LYS HD3 . 15926 1 883 . 1 1 106 106 LYS HG2 H 1 1.420 0.020 . 2 . . . . 106 LYS HG2 . 15926 1 884 . 1 1 106 106 LYS HG3 H 1 1.420 0.020 . 2 . . . . 106 LYS HG3 . 15926 1 885 . 1 1 106 106 LYS N N 15 128.009 0.400 . 1 . . . . 106 LYS N . 15926 1 stop_ save_