data_4789 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4789 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for TAZ2 domain of CBP ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 2000-07-19 _Entry.Accession_date 2000-07-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roberto 'De Guzman' . N. . 4789 2 Hong Liu . Y. . 4789 3 Maria Martinez-Yamout . . . 4789 4 H. Dyson . Jane . 4789 5 Peter Wright . E. . 4789 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4789 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 514 4789 '13C chemical shifts' 354 4789 '15N chemical shifts' 103 4789 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-10-23 . update author 'Bonds between the Zn atom and the CYS residues were documented.' 4789 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4789 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20481412 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the TAZ2(CH3) Domain of the Transcriptional Adaptor Protein CBP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 303 _Citation.Journal_issue 2 _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 243 _Citation.Page_last 253 _Citation.Year 2000 _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 Roberto 'De Guzman' . N. . 4789 1 2 Hong Liu . Y. . 4789 1 3 Maria Martinez-Yamout . . . 4789 1 4 H. Dyson . Jane . 4789 1 5 Peter Wright . E. . 4789 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4789 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'B. A.Johnson and R. A. Blevins, J. Biomol. NMR. 4, 603 (1994)' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4789 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation 'F. Delaglio, et al., J. Biomol. NMR 6, 277 (1995)' _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 4789 3 2 S. Grzesiek S. . . 4789 3 3 'G. W.' Vuister G. W. . 4789 3 4 G. Zhu G. . . 4789 3 5 J. Pfeifer J. . . 4789 3 6 A. Bax A. . . 4789 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TAZ2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TAZ2 _Assembly.Entry_ID 4789 _Assembly.ID 1 _Assembly.Name 'TAZ2 domain of CBP' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'free, other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4789 1 stop_ 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 TAZ2 1 $TAZ2 . . . native . . . . . 4789 1 2 ZN_2+ 2 $ZN . . . native . . . . . 4789 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 'metal ligand' single . 1 . 1 CYS 23 23 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 2 'metal ligand' single . 1 . 1 CYS 28 28 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 3 'metal ligand' single . 1 . 1 CYS 33 33 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 4 'metal ligand' single . 1 . 1 CYS 46 46 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 5 'metal ligand' single . 1 . 1 CYS 54 54 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 6 'metal ligand' single . 1 . 1 CYS 57 57 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 7 'metal ligand' single . 1 . 1 CYS 71 71 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 8 'metal ligand' single . 1 . 1 CYS 76 76 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 9 'metal ligand' single . 1 . 1 CYS 81 81 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4789 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1F81 . . . . . . 4789 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TAZ2 domain of CBP' system 4789 1 TAZ2 abbreviation 4789 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; TAZ2 domain is involved in protein-protein recognition CBP is a transcriptional activator protein ; 4789 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAZ2 _Entity.Sf_category entity _Entity.Sf_framecode TAZ2 _Entity.Entry_ID 4789 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CBP TAZ2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPQESRRLSIQRCIQSLVHA CQCRNANCSLPSCQKMKRVV QHTKGCKRKTNGGCPVCKQL IALCCYHAKHCQENKCPVPF CLNIKHK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'free, other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P45481 . 'CREB-binding protein' . . . . . 98.85 2441 100.00 100.00 1.66e-45 . . . . 4789 1 . . SWISS-PROT Q92793 . 'CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 5.16e-46 . . . . 4789 1 . . REF NP_001088637 . 'hypothetical protein LOC495689 [Xenopus laevis]' . . . . . 100.00 2428 98.85 98.85 4.91e-45 . . . . 4789 1 . . REF NP_004371 . 'CREB binding protein isoform a [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 5.16e-46 . . . . 4789 1 . . REF NP_001073315 . 'CREB binding protein isoform b [Homo sapiens]' . . . . . 100.00 2404 100.00 100.00 4.56e-46 . . . . 4789 1 . . REF NP_001082924 . 'CREB binding protein [Danio rerio]' . . . . . 100.00 2111 100.00 100.00 1.11e-45 . . . . 4789 1 . . PRF 1923401A . 'protein CBP' . . . . . 98.85 2441 100.00 100.00 1.65e-45 . . . . 4789 1 . . REF NP_001020603 . 'CREB binding protein [Mus musculus]' . . . . . 100.00 2441 100.00 100.00 5.71e-46 . . . . 4789 1 . . GenBank AAC51770 . 'CREB-binding protein' . . . . . 100.00 2442 98.85 100.00 1.28e-45 . . . . 4789 1 . . GenBank AAH86282 . 'LOC495689 protein [Xenopus laevis]' . . . . . 100.00 2428 98.85 98.85 4.91e-45 . . . . 4789 1 . . GenBank AAC17736 . 'CBP [Homo sapiens]' . . . . . 100.00 923 100.00 100.00 1.12e-45 . . . . 4789 1 . . GenBank AAC51331 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 5.16e-46 . . . . 4789 1 . . EMBL CAN87737 . 'novel protein similar to vertebrate CREB binding protein (Rubinstein-Taybi syndrome) (CREBBP) [Danio rerio]' . . . . . 100.00 2312 100.00 100.00 7.39e-46 . . . . 4789 1 . . GenBank AAB28651 . 'CREB-binding protein; CBP [Mus sp.]' . . . . . 98.85 2441 100.00 100.00 1.66e-45 . . . . 4789 1 . . EMBL CAK11048 . 'novel protein similar to vertebrate CREB binding protein (Rubinstein-Taybi syndrome) (CREBBP) [Danio rerio]' . . . . . 100.00 2312 100.00 100.00 7.39e-46 . . . . 4789 1 . . EMBL CAM56592 . 'novel protein similar to vertebrate CREB binding protein (Rubinstein-Taybi syndrome) (CREBBP) [Danio rerio]' . . . . . 100.00 2111 100.00 100.00 1.11e-45 . . . . 4789 1 . . EMBL CAF96470 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 100.00 2473 100.00 100.00 9.50e-46 . . . . 4789 1 . . EMBL CAG06082 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 100.00 982 100.00 100.00 2.06e-45 . . . . 4789 1 . . PDB 1F81 . 'Solution Structure Of The Taz2 Domain Of The Transcriptional Adaptor Protein Cbp' . . . . . 100.00 88 100.00 100.00 6.59e-42 . . . . 4789 1 . . DBJ BAE06125 . 'CREBBP variant protein [Homo sapiens]' . . . . . 100.00 2472 100.00 100.00 4.71e-46 . . . . 4789 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CBP TAZ2 domain' common 4789 1 TAZ2 abbreviation 4789 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 . SER . 4789 1 2 . PRO . 4789 1 3 . GLN . 4789 1 4 . GLU . 4789 1 5 . SER . 4789 1 6 . ARG . 4789 1 7 . ARG . 4789 1 8 . LEU . 4789 1 9 . SER . 4789 1 10 . ILE . 4789 1 11 . GLN . 4789 1 12 . ARG . 4789 1 13 . CYS . 4789 1 14 . ILE . 4789 1 15 . GLN . 4789 1 16 . SER . 4789 1 17 . LEU . 4789 1 18 . VAL . 4789 1 19 . HIS . 4789 1 20 . ALA . 4789 1 21 . CYS . 4789 1 22 . GLN . 4789 1 23 . CYS . 4789 1 24 . ARG . 4789 1 25 . ASN . 4789 1 26 . ALA . 4789 1 27 . ASN . 4789 1 28 . CYS . 4789 1 29 . SER . 4789 1 30 . LEU . 4789 1 31 . PRO . 4789 1 32 . SER . 4789 1 33 . CYS . 4789 1 34 . GLN . 4789 1 35 . LYS . 4789 1 36 . MET . 4789 1 37 . LYS . 4789 1 38 . ARG . 4789 1 39 . VAL . 4789 1 40 . VAL . 4789 1 41 . GLN . 4789 1 42 . HIS . 4789 1 43 . THR . 4789 1 44 . LYS . 4789 1 45 . GLY . 4789 1 46 . CYS . 4789 1 47 . LYS . 4789 1 48 . ARG . 4789 1 49 . LYS . 4789 1 50 . THR . 4789 1 51 . ASN . 4789 1 52 . GLY . 4789 1 53 . GLY . 4789 1 54 . CYS . 4789 1 55 . PRO . 4789 1 56 . VAL . 4789 1 57 . CYS . 4789 1 58 . LYS . 4789 1 59 . GLN . 4789 1 60 . LEU . 4789 1 61 . ILE . 4789 1 62 . ALA . 4789 1 63 . LEU . 4789 1 64 . CYS . 4789 1 65 . CYS . 4789 1 66 . TYR . 4789 1 67 . HIS . 4789 1 68 . ALA . 4789 1 69 . LYS . 4789 1 70 . HIS . 4789 1 71 . CYS . 4789 1 72 . GLN . 4789 1 73 . GLU . 4789 1 74 . ASN . 4789 1 75 . LYS . 4789 1 76 . CYS . 4789 1 77 . PRO . 4789 1 78 . VAL . 4789 1 79 . PRO . 4789 1 80 . PHE . 4789 1 81 . CYS . 4789 1 82 . LEU . 4789 1 83 . ASN . 4789 1 84 . ILE . 4789 1 85 . LYS . 4789 1 86 . HIS . 4789 1 87 . LYS . 4789 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 . SER 1 1 4789 1 . PRO 2 2 4789 1 . GLN 3 3 4789 1 . GLU 4 4 4789 1 . SER 5 5 4789 1 . ARG 6 6 4789 1 . ARG 7 7 4789 1 . LEU 8 8 4789 1 . SER 9 9 4789 1 . ILE 10 10 4789 1 . GLN 11 11 4789 1 . ARG 12 12 4789 1 . CYS 13 13 4789 1 . ILE 14 14 4789 1 . GLN 15 15 4789 1 . SER 16 16 4789 1 . LEU 17 17 4789 1 . VAL 18 18 4789 1 . HIS 19 19 4789 1 . ALA 20 20 4789 1 . CYS 21 21 4789 1 . GLN 22 22 4789 1 . CYS 23 23 4789 1 . ARG 24 24 4789 1 . ASN 25 25 4789 1 . ALA 26 26 4789 1 . ASN 27 27 4789 1 . CYS 28 28 4789 1 . SER 29 29 4789 1 . LEU 30 30 4789 1 . PRO 31 31 4789 1 . SER 32 32 4789 1 . CYS 33 33 4789 1 . GLN 34 34 4789 1 . LYS 35 35 4789 1 . MET 36 36 4789 1 . LYS 37 37 4789 1 . ARG 38 38 4789 1 . VAL 39 39 4789 1 . VAL 40 40 4789 1 . GLN 41 41 4789 1 . HIS 42 42 4789 1 . THR 43 43 4789 1 . LYS 44 44 4789 1 . GLY 45 45 4789 1 . CYS 46 46 4789 1 . LYS 47 47 4789 1 . ARG 48 48 4789 1 . LYS 49 49 4789 1 . THR 50 50 4789 1 . ASN 51 51 4789 1 . GLY 52 52 4789 1 . GLY 53 53 4789 1 . CYS 54 54 4789 1 . PRO 55 55 4789 1 . VAL 56 56 4789 1 . CYS 57 57 4789 1 . LYS 58 58 4789 1 . GLN 59 59 4789 1 . LEU 60 60 4789 1 . ILE 61 61 4789 1 . ALA 62 62 4789 1 . LEU 63 63 4789 1 . CYS 64 64 4789 1 . CYS 65 65 4789 1 . TYR 66 66 4789 1 . HIS 67 67 4789 1 . ALA 68 68 4789 1 . LYS 69 69 4789 1 . HIS 70 70 4789 1 . CYS 71 71 4789 1 . GLN 72 72 4789 1 . GLU 73 73 4789 1 . ASN 74 74 4789 1 . LYS 75 75 4789 1 . CYS 76 76 4789 1 . PRO 77 77 4789 1 . VAL 78 78 4789 1 . PRO 79 79 4789 1 . PHE 80 80 4789 1 . CYS 81 81 4789 1 . LEU 82 82 4789 1 . ASN 83 83 4789 1 . ILE 84 84 4789 1 . LYS 85 85 4789 1 . HIS 86 86 4789 1 . LYS 87 87 4789 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4789 _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 . 4789 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 4789 _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 $TAZ2 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4789 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 4789 _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 $TAZ2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-3a . . . . . . 4789 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 4789 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _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 . _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _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 Tue Jul 19 10:28:58 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 4789 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4789 ZN [Zn++] SMILES CACTVS 3.341 4789 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4789 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4789 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 4789 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4789 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 4789 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4789 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4789 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4789 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CBP TAZ2 domain' [U-15N] . . 1 $TAZ2 . . . 1 1.5 mM . . . . 4789 1 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 4789 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4789 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CBP TAZ2 domain' '[U-15N; U-13C]' . . 1 $TAZ2 . . . 1 1.5 mM . . . . 4789 2 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 4789 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4789 _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 pH 5.8 0.2 n/a 4789 1 temperature 298 1 K 4789 1 pressure 1 . atm 4789 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 4789 _Software.ID 1 _Software.Name NMRVIEW _Software.Version 4.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4789 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4789 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 4789 _Software.ID 2 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4789 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4789 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 4789 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4789 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4789 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4789 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4789 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4789 _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 NMR_spectrometer_1 Bruker AMX . 500 . . . 4789 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 4789 1 3 NMR_spectrometer_3 Bruker DRX . 750 . . . 4789 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 4789 _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 '15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 2 '15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 3 '13C NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 4 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 5 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 6 CBCACONH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 7 HCCONH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 8 CCONH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 9 HNHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 10 HNHB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 11 HACAHB-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 12 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4789 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HACAHB-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4789 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4789 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4789 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4789 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4789 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4789 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4789 1 . . 2 $sample_2 . 4789 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 SER N N 15 116.877 0.109 . 1 . . . . . . . . 4789 1 2 . 1 1 1 1 SER H H 1 8.378 0.016 . 1 . . . . . . . . 4789 1 3 . 1 1 1 1 SER CA C 13 56.759 0.138 . 1 . . . . . . . . 4789 1 4 . 1 1 1 1 SER HA H 1 4.956 0.016 . 1 . . . . . . . . 4789 1 5 . 1 1 2 2 PRO CA C 13 65.150 0.138 . 1 . . . . . . . . 4789 1 6 . 1 1 2 2 PRO HA H 1 4.483 0.016 . 1 . . . . . . . . 4789 1 7 . 1 1 2 2 PRO CB C 13 31.996 0.138 . 1 . . . . . . . . 4789 1 8 . 1 1 2 2 PRO HB2 H 1 2.029 0.016 . 2 . . . . . . . . 4789 1 9 . 1 1 2 2 PRO HB3 H 1 2.461 0.016 . 2 . . . . . . . . 4789 1 10 . 1 1 2 2 PRO CG C 13 27.841 0.138 . 1 . . . . . . . . 4789 1 11 . 1 1 2 2 PRO HG2 H 1 2.150 0.016 . 2 . . . . . . . . 4789 1 12 . 1 1 2 2 PRO HG3 H 1 2.247 0.016 . 2 . . . . . . . . 4789 1 13 . 1 1 2 2 PRO CD C 13 50.736 0.138 . 1 . . . . . . . . 4789 1 14 . 1 1 2 2 PRO HD2 H 1 4.043 0.016 . 2 . . . . . . . . 4789 1 15 . 1 1 2 2 PRO HD3 H 1 4.014 0.016 . 2 . . . . . . . . 4789 1 16 . 1 1 2 2 PRO C C 13 178.970 0.138 . 1 . . . . . . . . 4789 1 17 . 1 1 3 3 GLN N N 15 117.574 0.109 . 1 . . . . . . . . 4789 1 18 . 1 1 3 3 GLN H H 1 8.568 0.016 . 1 . . . . . . . . 4789 1 19 . 1 1 3 3 GLN CA C 13 58.833 0.138 . 1 . . . . . . . . 4789 1 20 . 1 1 3 3 GLN HA H 1 4.188 0.016 . 1 . . . . . . . . 4789 1 21 . 1 1 3 3 GLN CB C 13 28.168 0.138 . 1 . . . . . . . . 4789 1 22 . 1 1 3 3 GLN HB2 H 1 2.210 0.016 . 2 . . . . . . . . 4789 1 23 . 1 1 3 3 GLN HB3 H 1 2.129 0.016 . 2 . . . . . . . . 4789 1 24 . 1 1 3 3 GLN CG C 13 34.744 0.138 . 1 . . . . . . . . 4789 1 25 . 1 1 3 3 GLN HG2 H 1 2.549 0.016 . 2 . . . . . . . . 4789 1 26 . 1 1 3 3 GLN NE2 N 15 112.242 0.109 . 1 . . . . . . . . 4789 1 27 . 1 1 3 3 GLN HE21 H 1 7.607 0.016 . 2 . . . . . . . . 4789 1 28 . 1 1 3 3 GLN HE22 H 1 6.965 0.016 . 2 . . . . . . . . 4789 1 29 . 1 1 3 3 GLN C C 13 178.307 0.138 . 1 . . . . . . . . 4789 1 30 . 1 1 4 4 GLU N N 15 122.318 0.109 . 1 . . . . . . . . 4789 1 31 . 1 1 4 4 GLU H H 1 8.018 0.016 . 1 . . . . . . . . 4789 1 32 . 1 1 4 4 GLU CA C 13 58.466 0.138 . 1 . . . . . . . . 4789 1 33 . 1 1 4 4 GLU HA H 1 4.286 0.016 . 1 . . . . . . . . 4789 1 34 . 1 1 4 4 GLU CB C 13 30.016 0.138 . 1 . . . . . . . . 4789 1 35 . 1 1 4 4 GLU CG C 13 36.764 0.138 . 1 . . . . . . . . 4789 1 36 . 1 1 4 4 GLU HG2 H 1 2.419 0.016 . 2 . . . . . . . . 4789 1 37 . 1 1 4 4 GLU C C 13 178.224 0.138 . 1 . . . . . . . . 4789 1 38 . 1 1 5 5 SER N N 15 115.732 0.109 . 1 . . . . . . . . 4789 1 39 . 1 1 5 5 SER H H 1 8.453 0.016 . 1 . . . . . . . . 4789 1 40 . 1 1 5 5 SER CA C 13 61.149 0.138 . 1 . . . . . . . . 4789 1 41 . 1 1 5 5 SER HA H 1 4.320 0.016 . 1 . . . . . . . . 4789 1 42 . 1 1 5 5 SER CB C 13 63.155 0.138 . 1 . . . . . . . . 4789 1 43 . 1 1 5 5 SER C C 13 177.153 0.138 . 1 . . . . . . . . 4789 1 44 . 1 1 6 6 ARG N N 15 122.216 0.109 . 1 . . . . . . . . 4789 1 45 . 1 1 6 6 ARG H H 1 8.140 0.016 . 1 . . . . . . . . 4789 1 46 . 1 1 6 6 ARG CA C 13 58.651 0.138 . 1 . . . . . . . . 4789 1 47 . 1 1 6 6 ARG HA H 1 4.242 0.016 . 1 . . . . . . . . 4789 1 48 . 1 1 6 6 ARG CB C 13 30.219 0.138 . 1 . . . . . . . . 4789 1 49 . 1 1 6 6 ARG CG C 13 27.531 0.138 . 1 . . . . . . . . 4789 1 50 . 1 1 6 6 ARG HG2 H 1 1.822 0.016 . 2 . . . . . . . . 4789 1 51 . 1 1 6 6 ARG CD C 13 43.305 0.138 . 1 . . . . . . . . 4789 1 52 . 1 1 6 6 ARG HD2 H 1 3.287 0.016 . 2 . . . . . . . . 4789 1 53 . 1 1 7 7 ARG N N 15 120.257 0.109 . 1 . . . . . . . . 4789 1 54 . 1 1 7 7 ARG H H 1 7.889 0.016 . 1 . . . . . . . . 4789 1 55 . 1 1 7 7 ARG CA C 13 59.391 0.138 . 1 . . . . . . . . 4789 1 56 . 1 1 7 7 ARG HA H 1 4.071 0.016 . 1 . . . . . . . . 4789 1 57 . 1 1 7 7 ARG CB C 13 30.169 0.138 . 1 . . . . . . . . 4789 1 58 . 1 1 7 7 ARG CG C 13 27.530 0.138 . 1 . . . . . . . . 4789 1 59 . 1 1 7 7 ARG HG2 H 1 1.645 0.016 . 2 . . . . . . . . 4789 1 60 . 1 1 7 7 ARG HG3 H 1 1.821 0.016 . 2 . . . . . . . . 4789 1 61 . 1 1 7 7 ARG CD C 13 43.304 0.138 . 1 . . . . . . . . 4789 1 62 . 1 1 7 7 ARG HD2 H 1 3.287 0.016 . 2 . . . . . . . . 4789 1 63 . 1 1 7 7 ARG C C 13 178.455 0.138 . 1 . . . . . . . . 4789 1 64 . 1 1 8 8 LEU N N 15 120.169 0.109 . 1 . . . . . . . . 4789 1 65 . 1 1 8 8 LEU H H 1 8.188 0.016 . 1 . . . . . . . . 4789 1 66 . 1 1 8 8 LEU CA C 13 57.415 0.138 . 1 . . . . . . . . 4789 1 67 . 1 1 8 8 LEU HA H 1 4.223 0.016 . 1 . . . . . . . . 4789 1 68 . 1 1 8 8 LEU CB C 13 41.916 0.138 . 1 . . . . . . . . 4789 1 69 . 1 1 8 8 LEU HB2 H 1 1.877 0.016 . 2 . . . . . . . . 4789 1 70 . 1 1 8 8 LEU HB3 H 1 1.690 0.016 . 2 . . . . . . . . 4789 1 71 . 1 1 8 8 LEU CG C 13 27.371 0.138 . 1 . . . . . . . . 4789 1 72 . 1 1 8 8 LEU HG H 1 1.705 0.016 . 1 . . . . . . . . 4789 1 73 . 1 1 8 8 LEU CD1 C 13 23.629 0.138 . 2 . . . . . . . . 4789 1 74 . 1 1 8 8 LEU HD11 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 75 . 1 1 8 8 LEU HD12 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 76 . 1 1 8 8 LEU HD13 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 77 . 1 1 8 8 LEU CD2 C 13 24.952 0.138 . 2 . . . . . . . . 4789 1 78 . 1 1 8 8 LEU HD21 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 79 . 1 1 8 8 LEU HD22 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 80 . 1 1 8 8 LEU HD23 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 81 . 1 1 8 8 LEU C C 13 179.054 0.138 . 1 . . . . . . . . 4789 1 82 . 1 1 9 9 SER N N 15 115.508 0.109 . 1 . . . . . . . . 4789 1 83 . 1 1 9 9 SER H H 1 8.084 0.016 . 1 . . . . . . . . 4789 1 84 . 1 1 9 9 SER CA C 13 61.160 0.138 . 1 . . . . . . . . 4789 1 85 . 1 1 9 9 SER HA H 1 4.320 0.016 . 1 . . . . . . . . 4789 1 86 . 1 1 9 9 SER CB C 13 63.081 0.138 . 1 . . . . . . . . 4789 1 87 . 1 1 9 9 SER HB2 H 1 4.377 0.016 . 2 . . . . . . . . 4789 1 88 . 1 1 9 9 SER HB3 H 1 4.110 0.016 . 2 . . . . . . . . 4789 1 89 . 1 1 9 9 SER C C 13 177.275 0.138 . 1 . . . . . . . . 4789 1 90 . 1 1 10 10 ILE N N 15 123.199 0.109 . 1 . . . . . . . . 4789 1 91 . 1 1 10 10 ILE H H 1 8.154 0.016 . 1 . . . . . . . . 4789 1 92 . 1 1 10 10 ILE CA C 13 64.909 0.138 . 1 . . . . . . . . 4789 1 93 . 1 1 10 10 ILE HA H 1 3.818 0.016 . 1 . . . . . . . . 4789 1 94 . 1 1 10 10 ILE CB C 13 33.141 0.138 . 1 . . . . . . . . 4789 1 95 . 1 1 10 10 ILE CG1 C 13 27.759 0.138 . 2 . . . . . . . . 4789 1 96 . 1 1 10 10 ILE HG12 H 1 1.522 0.016 . 1 . . . . . . . . 4789 1 97 . 1 1 10 10 ILE HG13 H 1 1.522 0.016 . 1 . . . . . . . . 4789 1 98 . 1 1 10 10 ILE CD1 C 13 12.883 0.138 . 1 . . . . . . . . 4789 1 99 . 1 1 10 10 ILE HD11 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 100 . 1 1 10 10 ILE HD12 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 101 . 1 1 10 10 ILE HD13 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 102 . 1 1 10 10 ILE CG2 C 13 17.077 0.138 . 2 . . . . . . . . 4789 1 103 . 1 1 10 10 ILE HG21 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 104 . 1 1 10 10 ILE HG22 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 105 . 1 1 10 10 ILE HG23 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 106 . 1 1 10 10 ILE C C 13 177.752 0.138 . 1 . . . . . . . . 4789 1 107 . 1 1 11 11 GLN N N 15 119.475 0.109 . 1 . . . . . . . . 4789 1 108 . 1 1 11 11 GLN H H 1 8.131 0.016 . 1 . . . . . . . . 4789 1 109 . 1 1 11 11 GLN CA C 13 59.521 0.138 . 1 . . . . . . . . 4789 1 110 . 1 1 11 11 GLN HA H 1 4.083 0.016 . 1 . . . . . . . . 4789 1 111 . 1 1 11 11 GLN CB C 13 28.149 0.138 . 1 . . . . . . . . 4789 1 112 . 1 1 11 11 GLN CG C 13 34.052 0.138 . 1 . . . . . . . . 4789 1 113 . 1 1 11 11 GLN HG2 H 1 2.570 0.016 . 2 . . . . . . . . 4789 1 114 . 1 1 11 11 GLN NE2 N 15 111.702 0.109 . 1 . . . . . . . . 4789 1 115 . 1 1 11 11 GLN HE21 H 1 7.578 0.016 . 2 . . . . . . . . 4789 1 116 . 1 1 11 11 GLN HE22 H 1 6.936 0.016 . 2 . . . . . . . . 4789 1 117 . 1 1 11 11 GLN C C 13 179.043 0.138 . 1 . . . . . . . . 4789 1 118 . 1 1 12 12 ARG N N 15 119.328 0.109 . 1 . . . . . . . . 4789 1 119 . 1 1 12 12 ARG H H 1 8.215 0.016 . 1 . . . . . . . . 4789 1 120 . 1 1 12 12 ARG CA C 13 59.164 0.138 . 1 . . . . . . . . 4789 1 121 . 1 1 12 12 ARG HA H 1 4.254 0.016 . 1 . . . . . . . . 4789 1 122 . 1 1 12 12 ARG CB C 13 30.032 0.138 . 1 . . . . . . . . 4789 1 123 . 1 1 12 12 ARG CG C 13 27.831 0.138 . 1 . . . . . . . . 4789 1 124 . 1 1 12 12 ARG HG2 H 1 1.948 0.016 . 2 . . . . . . . . 4789 1 125 . 1 1 12 12 ARG HG3 H 1 1.789 0.016 . 2 . . . . . . . . 4789 1 126 . 1 1 12 12 ARG CD C 13 43.486 0.138 . 1 . . . . . . . . 4789 1 127 . 1 1 12 12 ARG HD2 H 1 3.335 0.016 . 2 . . . . . . . . 4789 1 128 . 1 1 12 12 ARG C C 13 179.494 0.138 . 1 . . . . . . . . 4789 1 129 . 1 1 13 13 CYS N N 15 119.774 0.109 . 1 . . . . . . . . 4789 1 130 . 1 1 13 13 CYS H H 1 8.085 0.016 . 1 . . . . . . . . 4789 1 131 . 1 1 13 13 CYS CA C 13 63.169 0.138 . 1 . . . . . . . . 4789 1 132 . 1 1 13 13 CYS HA H 1 4.329 0.016 . 1 . . . . . . . . 4789 1 133 . 1 1 13 13 CYS CB C 13 27.117 0.138 . 1 . . . . . . . . 4789 1 134 . 1 1 13 13 CYS HB2 H 1 2.978 0.016 . 2 . . . . . . . . 4789 1 135 . 1 1 13 13 CYS HB3 H 1 3.297 0.016 . 2 . . . . . . . . 4789 1 136 . 1 1 13 13 CYS C C 13 177.663 0.138 . 1 . . . . . . . . 4789 1 137 . 1 1 14 14 ILE N N 15 120.504 0.109 . 1 . . . . . . . . 4789 1 138 . 1 1 14 14 ILE H H 1 8.695 0.016 . 1 . . . . . . . . 4789 1 139 . 1 1 14 14 ILE CA C 13 64.950 0.138 . 1 . . . . . . . . 4789 1 140 . 1 1 14 14 ILE HA H 1 3.862 0.016 . 1 . . . . . . . . 4789 1 141 . 1 1 14 14 ILE CB C 13 37.225 0.138 . 1 . . . . . . . . 4789 1 142 . 1 1 14 14 ILE CG1 C 13 29.580 0.138 . 2 . . . . . . . . 4789 1 143 . 1 1 14 14 ILE HG12 H 1 1.421 0.016 . 1 . . . . . . . . 4789 1 144 . 1 1 14 14 ILE HG13 H 1 1.421 0.016 . 1 . . . . . . . . 4789 1 145 . 1 1 14 14 ILE CD1 C 13 14.251 0.138 . 1 . . . . . . . . 4789 1 146 . 1 1 14 14 ILE HD11 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 147 . 1 1 14 14 ILE HD12 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 148 . 1 1 14 14 ILE HD13 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 149 . 1 1 14 14 ILE CG2 C 13 18.659 0.138 . 2 . . . . . . . . 4789 1 150 . 1 1 14 14 ILE HG21 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 151 . 1 1 14 14 ILE HG22 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 152 . 1 1 14 14 ILE HG23 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 153 . 1 1 14 14 ILE C C 13 177.588 0.138 . 1 . . . . . . . . 4789 1 154 . 1 1 15 15 GLN N N 15 119.623 0.109 . 1 . . . . . . . . 4789 1 155 . 1 1 15 15 GLN H H 1 8.304 0.016 . 1 . . . . . . . . 4789 1 156 . 1 1 15 15 GLN CA C 13 59.406 0.138 . 1 . . . . . . . . 4789 1 157 . 1 1 15 15 GLN HA H 1 4.188 0.016 . 1 . . . . . . . . 4789 1 158 . 1 1 15 15 GLN CB C 13 28.030 0.138 . 1 . . . . . . . . 4789 1 159 . 1 1 15 15 GLN HB2 H 1 2.390 0.016 . 2 . . . . . . . . 4789 1 160 . 1 1 15 15 GLN HB3 H 1 2.287 0.016 . 2 . . . . . . . . 4789 1 161 . 1 1 15 15 GLN CG C 13 34.125 0.138 . 1 . . . . . . . . 4789 1 162 . 1 1 15 15 GLN HG2 H 1 2.696 0.016 . 2 . . . . . . . . 4789 1 163 . 1 1 15 15 GLN HG3 H 1 2.569 0.016 . 2 . . . . . . . . 4789 1 164 . 1 1 15 15 GLN NE2 N 15 111.398 0.109 . 1 . . . . . . . . 4789 1 165 . 1 1 15 15 GLN HE21 H 1 7.550 0.016 . 2 . . . . . . . . 4789 1 166 . 1 1 15 15 GLN HE22 H 1 6.905 0.016 . 2 . . . . . . . . 4789 1 167 . 1 1 15 15 GLN C C 13 179.606 0.138 . 1 . . . . . . . . 4789 1 168 . 1 1 16 16 SER N N 15 116.069 0.109 . 1 . . . . . . . . 4789 1 169 . 1 1 16 16 SER H H 1 8.062 0.016 . 1 . . . . . . . . 4789 1 170 . 1 1 16 16 SER CA C 13 62.537 0.138 . 1 . . . . . . . . 4789 1 171 . 1 1 16 16 SER HA H 1 4.240 0.016 . 1 . . . . . . . . 4789 1 172 . 1 1 16 16 SER C C 13 175.839 0.138 . 1 . . . . . . . . 4789 1 173 . 1 1 17 17 LEU N N 15 125.259 0.109 . 1 . . . . . . . . 4789 1 174 . 1 1 17 17 LEU H H 1 8.118 0.016 . 1 . . . . . . . . 4789 1 175 . 1 1 17 17 LEU CA C 13 58.631 0.138 . 1 . . . . . . . . 4789 1 176 . 1 1 17 17 LEU HA H 1 4.158 0.016 . 1 . . . . . . . . 4789 1 177 . 1 1 17 17 LEU CB C 13 42.304 0.138 . 1 . . . . . . . . 4789 1 178 . 1 1 17 17 LEU HB2 H 1 2.374 0.016 . 2 . . . . . . . . 4789 1 179 . 1 1 17 17 LEU HB3 H 1 1.687 0.016 . 2 . . . . . . . . 4789 1 180 . 1 1 17 17 LEU CG C 13 27.513 0.138 . 1 . . . . . . . . 4789 1 181 . 1 1 17 17 LEU HG H 1 1.537 0.016 . 1 . . . . . . . . 4789 1 182 . 1 1 17 17 LEU CD1 C 13 27.064 0.138 . 2 . . . . . . . . 4789 1 183 . 1 1 17 17 LEU HD11 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 184 . 1 1 17 17 LEU HD12 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 185 . 1 1 17 17 LEU HD13 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 186 . 1 1 17 17 LEU CD2 C 13 23.589 0.138 . 2 . . . . . . . . 4789 1 187 . 1 1 17 17 LEU HD21 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 188 . 1 1 17 17 LEU HD22 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 189 . 1 1 17 17 LEU HD23 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 190 . 1 1 17 17 LEU C C 13 177.455 0.138 . 1 . . . . . . . . 4789 1 191 . 1 1 18 18 VAL N N 15 119.413 0.109 . 1 . . . . . . . . 4789 1 192 . 1 1 18 18 VAL H H 1 8.659 0.016 . 1 . . . . . . . . 4789 1 193 . 1 1 18 18 VAL CA C 13 67.410 0.138 . 1 . . . . . . . . 4789 1 194 . 1 1 18 18 VAL HA H 1 3.333 0.016 . 1 . . . . . . . . 4789 1 195 . 1 1 18 18 VAL CB C 13 31.761 0.138 . 1 . . . . . . . . 4789 1 196 . 1 1 18 18 VAL HB H 1 2.189 0.016 . 1 . . . . . . . . 4789 1 197 . 1 1 18 18 VAL CG2 C 13 23.240 0.138 . 2 . . . . . . . . 4789 1 198 . 1 1 18 18 VAL HG21 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 199 . 1 1 18 18 VAL HG22 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 200 . 1 1 18 18 VAL HG23 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 201 . 1 1 18 18 VAL CG1 C 13 21.039 0.138 . 2 . . . . . . . . 4789 1 202 . 1 1 18 18 VAL HG11 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 203 . 1 1 18 18 VAL HG12 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 204 . 1 1 18 18 VAL HG13 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 205 . 1 1 18 18 VAL C C 13 178.595 0.138 . 1 . . . . . . . . 4789 1 206 . 1 1 19 19 HIS N N 15 116.024 0.109 . 1 . . . . . . . . 4789 1 207 . 1 1 19 19 HIS H H 1 7.986 0.016 . 1 . . . . . . . . 4789 1 208 . 1 1 19 19 HIS CA C 13 60.186 0.138 . 1 . . . . . . . . 4789 1 209 . 1 1 19 19 HIS HA H 1 4.282 0.016 . 1 . . . . . . . . 4789 1 210 . 1 1 19 19 HIS CD2 C 13 129.363 0.138 . 1 . . . . . . . . 4789 1 211 . 1 1 19 19 HIS HD2 H 1 7.326 0.016 . 2 . . . . . . . . 4789 1 212 . 1 1 19 19 HIS NE2 N 15 209.040 0.109 . 1 . . . . . . . . 4789 1 213 . 1 1 19 19 HIS CE1 C 13 139.327 0.138 . 1 . . . . . . . . 4789 1 214 . 1 1 19 19 HIS HE1 H 1 7.990 0.016 . 1 . . . . . . . . 4789 1 215 . 1 1 19 19 HIS ND1 N 15 163.719 0.109 . 1 . . . . . . . . 4789 1 216 . 1 1 19 19 HIS C C 13 177.832 0.138 . 1 . . . . . . . . 4789 1 217 . 1 1 20 20 ALA N N 15 121.211 0.109 . 1 . . . . . . . . 4789 1 218 . 1 1 20 20 ALA H H 1 8.520 0.016 . 1 . . . . . . . . 4789 1 219 . 1 1 20 20 ALA CA C 13 55.325 0.138 . 1 . . . . . . . . 4789 1 220 . 1 1 20 20 ALA HA H 1 4.373 0.016 . 1 . . . . . . . . 4789 1 221 . 1 1 20 20 ALA CB C 13 20.073 0.138 . 1 . . . . . . . . 4789 1 222 . 1 1 20 20 ALA HB1 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 223 . 1 1 20 20 ALA HB2 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 224 . 1 1 20 20 ALA HB3 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 225 . 1 1 20 20 ALA C C 13 179.682 0.138 . 1 . . . . . . . . 4789 1 226 . 1 1 21 21 CYS N N 15 111.876 0.109 . 1 . . . . . . . . 4789 1 227 . 1 1 21 21 CYS H H 1 7.892 0.016 . 1 . . . . . . . . 4789 1 228 . 1 1 21 21 CYS CA C 13 62.249 0.138 . 1 . . . . . . . . 4789 1 229 . 1 1 21 21 CYS HA H 1 4.321 0.016 . 1 . . . . . . . . 4789 1 230 . 1 1 21 21 CYS CB C 13 27.111 0.138 . 1 . . . . . . . . 4789 1 231 . 1 1 21 21 CYS HB2 H 1 2.786 0.016 . 2 . . . . . . . . 4789 1 232 . 1 1 21 21 CYS HB3 H 1 2.979 0.016 . 2 . . . . . . . . 4789 1 233 . 1 1 21 21 CYS C C 13 174.583 0.138 . 1 . . . . . . . . 4789 1 234 . 1 1 22 22 GLN N N 15 115.768 0.109 . 1 . . . . . . . . 4789 1 235 . 1 1 22 22 GLN H H 1 7.357 0.016 . 1 . . . . . . . . 4789 1 236 . 1 1 22 22 GLN CA C 13 54.890 0.138 . 1 . . . . . . . . 4789 1 237 . 1 1 22 22 GLN HA H 1 4.565 0.016 . 1 . . . . . . . . 4789 1 238 . 1 1 22 22 GLN CB C 13 30.552 0.138 . 1 . . . . . . . . 4789 1 239 . 1 1 22 22 GLN HB2 H 1 2.187 0.016 . 2 . . . . . . . . 4789 1 240 . 1 1 22 22 GLN HB3 H 1 2.083 0.016 . 2 . . . . . . . . 4789 1 241 . 1 1 22 22 GLN CG C 13 33.500 0.138 . 1 . . . . . . . . 4789 1 242 . 1 1 22 22 GLN HG2 H 1 2.351 0.016 . 2 . . . . . . . . 4789 1 243 . 1 1 22 22 GLN HG3 H 1 2.538 0.016 . 2 . . . . . . . . 4789 1 244 . 1 1 22 22 GLN NE2 N 15 112.281 0.109 . 1 . . . . . . . . 4789 1 245 . 1 1 22 22 GLN HE21 H 1 7.365 0.016 . 2 . . . . . . . . 4789 1 246 . 1 1 22 22 GLN HE22 H 1 6.991 0.016 . 2 . . . . . . . . 4789 1 247 . 1 1 22 22 GLN C C 13 174.242 0.138 . 1 . . . . . . . . 4789 1 248 . 1 1 23 23 CYS N N 15 124.137 0.109 . 1 . . . . . . . . 4789 1 249 . 1 1 23 23 CYS H H 1 7.276 0.016 . 1 . . . . . . . . 4789 1 250 . 1 1 23 23 CYS CA C 13 60.550 0.138 . 1 . . . . . . . . 4789 1 251 . 1 1 23 23 CYS HA H 1 3.976 0.016 . 1 . . . . . . . . 4789 1 252 . 1 1 23 23 CYS CB C 13 29.209 0.138 . 1 . . . . . . . . 4789 1 253 . 1 1 23 23 CYS HB2 H 1 2.612 0.016 . 2 . . . . . . . . 4789 1 254 . 1 1 23 23 CYS HB3 H 1 2.086 0.016 . 2 . . . . . . . . 4789 1 255 . 1 1 23 23 CYS C C 13 176.127 0.138 . 1 . . . . . . . . 4789 1 256 . 1 1 24 24 ARG N N 15 129.458 0.109 . 1 . . . . . . . . 4789 1 257 . 1 1 24 24 ARG H H 1 8.928 0.016 . 1 . . . . . . . . 4789 1 258 . 1 1 24 24 ARG CA C 13 54.679 0.138 . 1 . . . . . . . . 4789 1 259 . 1 1 24 24 ARG HA H 1 4.649 0.016 . 1 . . . . . . . . 4789 1 260 . 1 1 24 24 ARG CB C 13 29.990 0.138 . 1 . . . . . . . . 4789 1 261 . 1 1 24 24 ARG HB2 H 1 1.709 0.016 . 2 . . . . . . . . 4789 1 262 . 1 1 24 24 ARG HB3 H 1 2.218 0.016 . 2 . . . . . . . . 4789 1 263 . 1 1 24 24 ARG CG C 13 26.954 0.138 . 1 . . . . . . . . 4789 1 264 . 1 1 24 24 ARG HG2 H 1 1.647 0.016 . 2 . . . . . . . . 4789 1 265 . 1 1 24 24 ARG CD C 13 43.116 0.138 . 1 . . . . . . . . 4789 1 266 . 1 1 24 24 ARG HD2 H 1 3.247 0.016 . 2 . . . . . . . . 4789 1 267 . 1 1 25 25 ASN N N 15 120.271 0.109 . 1 . . . . . . . . 4789 1 268 . 1 1 25 25 ASN H H 1 7.890 0.016 . 1 . . . . . . . . 4789 1 269 . 1 1 25 25 ASN CA C 13 51.821 0.138 . 1 . . . . . . . . 4789 1 270 . 1 1 25 25 ASN HA H 1 4.915 0.016 . 1 . . . . . . . . 4789 1 271 . 1 1 25 25 ASN CB C 13 38.994 0.138 . 1 . . . . . . . . 4789 1 272 . 1 1 25 25 ASN HB2 H 1 3.064 0.016 . 2 . . . . . . . . 4789 1 273 . 1 1 25 25 ASN HB3 H 1 2.910 0.016 . 2 . . . . . . . . 4789 1 274 . 1 1 25 25 ASN ND2 N 15 111.452 0.109 . 1 . . . . . . . . 4789 1 275 . 1 1 25 25 ASN HD21 H 1 7.081 0.016 . 2 . . . . . . . . 4789 1 276 . 1 1 25 25 ASN HD22 H 1 7.876 0.016 . 2 . . . . . . . . 4789 1 277 . 1 1 25 25 ASN C C 13 175.703 0.138 . 1 . . . . . . . . 4789 1 278 . 1 1 26 26 ALA N N 15 130.302 0.109 . 1 . . . . . . . . 4789 1 279 . 1 1 26 26 ALA H H 1 9.201 0.016 . 1 . . . . . . . . 4789 1 280 . 1 1 26 26 ALA CA C 13 54.332 0.138 . 1 . . . . . . . . 4789 1 281 . 1 1 26 26 ALA HA H 1 4.148 0.016 . 1 . . . . . . . . 4789 1 282 . 1 1 26 26 ALA CB C 13 18.414 0.138 . 1 . . . . . . . . 4789 1 283 . 1 1 26 26 ALA HB1 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 284 . 1 1 26 26 ALA HB2 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 285 . 1 1 26 26 ALA HB3 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 286 . 1 1 26 26 ALA C C 13 178.058 0.138 . 1 . . . . . . . . 4789 1 287 . 1 1 27 27 ASN N N 15 113.911 0.109 . 1 . . . . . . . . 4789 1 288 . 1 1 27 27 ASN H H 1 8.080 0.016 . 1 . . . . . . . . 4789 1 289 . 1 1 27 27 ASN CA C 13 51.825 0.138 . 1 . . . . . . . . 4789 1 290 . 1 1 27 27 ASN HA H 1 4.915 0.016 . 1 . . . . . . . . 4789 1 291 . 1 1 27 27 ASN CB C 13 38.814 0.138 . 1 . . . . . . . . 4789 1 292 . 1 1 27 27 ASN HB2 H 1 2.680 0.016 . 2 . . . . . . . . 4789 1 293 . 1 1 27 27 ASN HB3 H 1 3.028 0.016 . 2 . . . . . . . . 4789 1 294 . 1 1 27 27 ASN ND2 N 15 113.275 0.109 . 1 . . . . . . . . 4789 1 295 . 1 1 27 27 ASN HD21 H 1 7.674 0.016 . 2 . . . . . . . . 4789 1 296 . 1 1 27 27 ASN HD22 H 1 6.949 0.016 . 2 . . . . . . . . 4789 1 297 . 1 1 27 27 ASN C C 13 174.145 0.138 . 1 . . . . . . . . 4789 1 298 . 1 1 28 28 CYS N N 15 123.130 0.109 . 1 . . . . . . . . 4789 1 299 . 1 1 28 28 CYS H H 1 7.178 0.016 . 1 . . . . . . . . 4789 1 300 . 1 1 28 28 CYS CA C 13 61.677 0.138 . 1 . . . . . . . . 4789 1 301 . 1 1 28 28 CYS HA H 1 4.108 0.016 . 1 . . . . . . . . 4789 1 302 . 1 1 28 28 CYS CB C 13 30.045 0.138 . 1 . . . . . . . . 4789 1 303 . 1 1 28 28 CYS HB2 H 1 2.157 0.016 . 2 . . . . . . . . 4789 1 304 . 1 1 28 28 CYS HB3 H 1 3.086 0.016 . 2 . . . . . . . . 4789 1 305 . 1 1 28 28 CYS C C 13 176.873 0.138 . 1 . . . . . . . . 4789 1 306 . 1 1 29 29 SER N N 15 124.558 0.109 . 1 . . . . . . . . 4789 1 307 . 1 1 29 29 SER H H 1 8.874 0.016 . 1 . . . . . . . . 4789 1 308 . 1 1 29 29 SER CA C 13 57.813 0.138 . 1 . . . . . . . . 4789 1 309 . 1 1 29 29 SER HA H 1 4.679 0.016 . 1 . . . . . . . . 4789 1 310 . 1 1 29 29 SER CB C 13 63.995 0.138 . 1 . . . . . . . . 4789 1 311 . 1 1 29 29 SER HB2 H 1 4.179 0.016 . 2 . . . . . . . . 4789 1 312 . 1 1 29 29 SER HB3 H 1 3.932 0.016 . 2 . . . . . . . . 4789 1 313 . 1 1 29 29 SER C C 13 174.805 0.138 . 1 . . . . . . . . 4789 1 314 . 1 1 30 30 LEU N N 15 128.600 0.109 . 1 . . . . . . . . 4789 1 315 . 1 1 30 30 LEU H H 1 8.574 0.016 . 1 . . . . . . . . 4789 1 316 . 1 1 30 30 LEU CA C 13 54.321 0.138 . 1 . . . . . . . . 4789 1 317 . 1 1 30 30 LEU HA H 1 4.566 0.016 . 1 . . . . . . . . 4789 1 318 . 1 1 30 30 LEU CB C 13 40.817 0.138 . 1 . . . . . . . . 4789 1 319 . 1 1 30 30 LEU HB2 H 1 1.713 0.016 . 2 . . . . . . . . 4789 1 320 . 1 1 30 30 LEU HB3 H 1 1.456 0.016 . 2 . . . . . . . . 4789 1 321 . 1 1 30 30 LEU CG C 13 27.331 0.138 . 1 . . . . . . . . 4789 1 322 . 1 1 30 30 LEU CD1 C 13 24.401 0.138 . 2 . . . . . . . . 4789 1 323 . 1 1 30 30 LEU HD11 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 324 . 1 1 30 30 LEU HD12 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 325 . 1 1 30 30 LEU HD13 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 326 . 1 1 30 30 LEU CD2 C 13 23.043 0.138 . 2 . . . . . . . . 4789 1 327 . 1 1 30 30 LEU HD21 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 328 . 1 1 30 30 LEU HD22 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 329 . 1 1 30 30 LEU HD23 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 330 . 1 1 31 31 PRO CA C 13 65.299 0.138 . 1 . . . . . . . . 4789 1 331 . 1 1 31 31 PRO HA H 1 4.400 0.016 . 1 . . . . . . . . 4789 1 332 . 1 1 31 31 PRO CB C 13 31.934 0.138 . 1 . . . . . . . . 4789 1 333 . 1 1 31 31 PRO HB2 H 1 2.055 0.016 . 2 . . . . . . . . 4789 1 334 . 1 1 31 31 PRO HB3 H 1 2.476 0.016 . 2 . . . . . . . . 4789 1 335 . 1 1 31 31 PRO CG C 13 27.836 0.138 . 1 . . . . . . . . 4789 1 336 . 1 1 31 31 PRO HG2 H 1 2.248 0.016 . 2 . . . . . . . . 4789 1 337 . 1 1 31 31 PRO HG3 H 1 2.146 0.016 . 2 . . . . . . . . 4789 1 338 . 1 1 31 31 PRO CD C 13 51.013 0.138 . 1 . . . . . . . . 4789 1 339 . 1 1 31 31 PRO HD2 H 1 4.265 0.016 . 2 . . . . . . . . 4789 1 340 . 1 1 31 31 PRO HD3 H 1 3.811 0.016 . 2 . . . . . . . . 4789 1 341 . 1 1 31 31 PRO C C 13 178.361 0.138 . 1 . . . . . . . . 4789 1 342 . 1 1 32 32 SER N N 15 111.993 0.109 . 1 . . . . . . . . 4789 1 343 . 1 1 32 32 SER H H 1 8.479 0.016 . 1 . . . . . . . . 4789 1 344 . 1 1 32 32 SER CA C 13 60.199 0.138 . 1 . . . . . . . . 4789 1 345 . 1 1 32 32 SER HA H 1 4.321 0.016 . 1 . . . . . . . . 4789 1 346 . 1 1 32 32 SER CB C 13 62.909 0.138 . 1 . . . . . . . . 4789 1 347 . 1 1 32 32 SER HB2 H 1 4.058 0.016 . 2 . . . . . . . . 4789 1 348 . 1 1 32 32 SER HB3 H 1 4.144 0.016 . 2 . . . . . . . . 4789 1 349 . 1 1 32 32 SER C C 13 174.216 0.138 . 1 . . . . . . . . 4789 1 350 . 1 1 33 33 CYS N N 15 125.889 0.109 . 1 . . . . . . . . 4789 1 351 . 1 1 33 33 CYS H H 1 7.572 0.016 . 1 . . . . . . . . 4789 1 352 . 1 1 33 33 CYS CA C 13 63.970 0.138 . 1 . . . . . . . . 4789 1 353 . 1 1 33 33 CYS HA H 1 4.263 0.016 . 1 . . . . . . . . 4789 1 354 . 1 1 33 33 CYS CB C 13 29.629 0.138 . 1 . . . . . . . . 4789 1 355 . 1 1 33 33 CYS HB2 H 1 3.326 0.016 . 2 . . . . . . . . 4789 1 356 . 1 1 33 33 CYS HB3 H 1 2.862 0.016 . 2 . . . . . . . . 4789 1 357 . 1 1 33 33 CYS C C 13 176.617 0.138 . 1 . . . . . . . . 4789 1 358 . 1 1 34 34 GLN N N 15 116.045 0.109 . 1 . . . . . . . . 4789 1 359 . 1 1 34 34 GLN H H 1 8.204 0.016 . 1 . . . . . . . . 4789 1 360 . 1 1 34 34 GLN CA C 13 59.715 0.138 . 1 . . . . . . . . 4789 1 361 . 1 1 34 34 GLN HA H 1 4.048 0.016 . 1 . . . . . . . . 4789 1 362 . 1 1 34 34 GLN CB C 13 28.152 0.138 . 1 . . . . . . . . 4789 1 363 . 1 1 34 34 GLN HB2 H 1 2.241 0.016 . 1 . . . . . . . . 4789 1 364 . 1 1 34 34 GLN HB3 H 1 2.241 0.016 . 1 . . . . . . . . 4789 1 365 . 1 1 34 34 GLN CG C 13 34.092 0.138 . 1 . . . . . . . . 4789 1 366 . 1 1 34 34 GLN HG2 H 1 2.559 0.016 . 2 . . . . . . . . 4789 1 367 . 1 1 34 34 GLN NE2 N 15 111.229 0.109 . 1 . . . . . . . . 4789 1 368 . 1 1 34 34 GLN HE21 H 1 7.483 0.016 . 2 . . . . . . . . 4789 1 369 . 1 1 34 34 GLN HE22 H 1 6.863 0.016 . 2 . . . . . . . . 4789 1 370 . 1 1 34 34 GLN C C 13 179.280 0.138 . 1 . . . . . . . . 4789 1 371 . 1 1 35 35 LYS N N 15 117.286 0.109 . 1 . . . . . . . . 4789 1 372 . 1 1 35 35 LYS H H 1 8.023 0.016 . 1 . . . . . . . . 4789 1 373 . 1 1 35 35 LYS CA C 13 59.567 0.138 . 1 . . . . . . . . 4789 1 374 . 1 1 35 35 LYS HA H 1 4.084 0.016 . 1 . . . . . . . . 4789 1 375 . 1 1 35 35 LYS CB C 13 32.711 0.138 . 1 . . . . . . . . 4789 1 376 . 1 1 35 35 LYS HB2 H 1 1.965 0.016 . 1 . . . . . . . . 4789 1 377 . 1 1 35 35 LYS HB3 H 1 1.965 0.016 . 1 . . . . . . . . 4789 1 378 . 1 1 35 35 LYS CG C 13 25.255 0.138 . 1 . . . . . . . . 4789 1 379 . 1 1 35 35 LYS HG2 H 1 1.470 0.016 . 2 . . . . . . . . 4789 1 380 . 1 1 35 35 LYS HG3 H 1 1.625 0.016 . 2 . . . . . . . . 4789 1 381 . 1 1 35 35 LYS CD C 13 29.458 0.138 . 1 . . . . . . . . 4789 1 382 . 1 1 35 35 LYS HD2 H 1 1.772 0.016 . 2 . . . . . . . . 4789 1 383 . 1 1 35 35 LYS CE C 13 41.745 0.138 . 1 . . . . . . . . 4789 1 384 . 1 1 35 35 LYS HE2 H 1 3.002 0.016 . 2 . . . . . . . . 4789 1 385 . 1 1 35 35 LYS C C 13 179.258 0.138 . 1 . . . . . . . . 4789 1 386 . 1 1 36 36 MET N N 15 118.058 0.109 . 1 . . . . . . . . 4789 1 387 . 1 1 36 36 MET H H 1 8.231 0.016 . 1 . . . . . . . . 4789 1 388 . 1 1 36 36 MET CA C 13 57.019 0.138 . 1 . . . . . . . . 4789 1 389 . 1 1 36 36 MET HA H 1 4.601 0.016 . 1 . . . . . . . . 4789 1 390 . 1 1 36 36 MET CB C 13 31.940 0.138 . 1 . . . . . . . . 4789 1 391 . 1 1 36 36 MET HB2 H 1 1.923 0.016 . 2 . . . . . . . . 4789 1 392 . 1 1 36 36 MET HB3 H 1 2.460 0.016 . 2 . . . . . . . . 4789 1 393 . 1 1 36 36 MET CG C 13 33.445 0.138 . 1 . . . . . . . . 4789 1 394 . 1 1 36 36 MET HG2 H 1 2.834 0.016 . 2 . . . . . . . . 4789 1 395 . 1 1 36 36 MET HG3 H 1 2.599 0.016 . 2 . . . . . . . . 4789 1 396 . 1 1 36 36 MET CE C 13 17.551 0.138 . 1 . . . . . . . . 4789 1 397 . 1 1 36 36 MET HE1 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 398 . 1 1 36 36 MET HE2 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 399 . 1 1 36 36 MET HE3 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 400 . 1 1 36 36 MET C C 13 178.894 0.138 . 1 . . . . . . . . 4789 1 401 . 1 1 37 37 LYS N N 15 120.787 0.109 . 1 . . . . . . . . 4789 1 402 . 1 1 37 37 LYS H H 1 9.267 0.016 . 1 . . . . . . . . 4789 1 403 . 1 1 37 37 LYS CA C 13 61.387 0.138 . 1 . . . . . . . . 4789 1 404 . 1 1 37 37 LYS HA H 1 3.912 0.016 . 1 . . . . . . . . 4789 1 405 . 1 1 37 37 LYS CB C 13 33.071 0.138 . 1 . . . . . . . . 4789 1 406 . 1 1 37 37 LYS HB2 H 1 2.159 0.016 . 2 . . . . . . . . 4789 1 407 . 1 1 37 37 LYS HB3 H 1 1.899 0.016 . 2 . . . . . . . . 4789 1 408 . 1 1 37 37 LYS CG C 13 27.553 0.138 . 1 . . . . . . . . 4789 1 409 . 1 1 37 37 LYS HG2 H 1 1.415 0.016 . 2 . . . . . . . . 4789 1 410 . 1 1 37 37 LYS HG3 H 1 2.090 0.016 . 2 . . . . . . . . 4789 1 411 . 1 1 37 37 LYS CD C 13 30.327 0.138 . 1 . . . . . . . . 4789 1 412 . 1 1 37 37 LYS HD2 H 1 1.758 0.016 . 2 . . . . . . . . 4789 1 413 . 1 1 37 37 LYS HD3 H 1 2.095 0.016 . 2 . . . . . . . . 4789 1 414 . 1 1 37 37 LYS CE C 13 43.066 0.138 . 1 . . . . . . . . 4789 1 415 . 1 1 37 37 LYS HE2 H 1 3.362 0.016 . 2 . . . . . . . . 4789 1 416 . 1 1 37 37 LYS HE3 H 1 3.221 0.016 . 2 . . . . . . . . 4789 1 417 . 1 1 37 37 LYS C C 13 179.995 0.138 . 1 . . . . . . . . 4789 1 418 . 1 1 38 38 ARG N N 15 117.620 0.109 . 1 . . . . . . . . 4789 1 419 . 1 1 38 38 ARG H H 1 7.724 0.016 . 1 . . . . . . . . 4789 1 420 . 1 1 38 38 ARG CA C 13 59.522 0.138 . 1 . . . . . . . . 4789 1 421 . 1 1 38 38 ARG HA H 1 4.227 0.016 . 1 . . . . . . . . 4789 1 422 . 1 1 38 38 ARG CB C 13 30.009 0.138 . 1 . . . . . . . . 4789 1 423 . 1 1 38 38 ARG HB2 H 1 2.000 0.016 . 1 . . . . . . . . 4789 1 424 . 1 1 38 38 ARG HB3 H 1 2.000 0.016 . 1 . . . . . . . . 4789 1 425 . 1 1 38 38 ARG CG C 13 27.392 0.138 . 1 . . . . . . . . 4789 1 426 . 1 1 38 38 ARG HG2 H 1 1.773 0.016 . 2 . . . . . . . . 4789 1 427 . 1 1 38 38 ARG CD C 13 43.461 0.138 . 1 . . . . . . . . 4789 1 428 . 1 1 38 38 ARG HD3 H 1 3.319 0.016 . 2 . . . . . . . . 4789 1 429 . 1 1 38 38 ARG C C 13 179.762 0.138 . 1 . . . . . . . . 4789 1 430 . 1 1 39 39 VAL N N 15 122.303 0.109 . 1 . . . . . . . . 4789 1 431 . 1 1 39 39 VAL H H 1 7.817 0.016 . 1 . . . . . . . . 4789 1 432 . 1 1 39 39 VAL CA C 13 66.787 0.138 . 1 . . . . . . . . 4789 1 433 . 1 1 39 39 VAL HA H 1 3.859 0.016 . 1 . . . . . . . . 4789 1 434 . 1 1 39 39 VAL CB C 13 31.698 0.138 . 1 . . . . . . . . 4789 1 435 . 1 1 39 39 VAL HB H 1 2.432 0.016 . 1 . . . . . . . . 4789 1 436 . 1 1 39 39 VAL HG21 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 437 . 1 1 39 39 VAL HG22 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 438 . 1 1 39 39 VAL HG23 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 439 . 1 1 39 39 VAL C C 13 177.731 0.138 . 1 . . . . . . . . 4789 1 440 . 1 1 40 40 VAL N N 15 121.122 0.109 . 1 . . . . . . . . 4789 1 441 . 1 1 40 40 VAL H H 1 8.444 0.016 . 1 . . . . . . . . 4789 1 442 . 1 1 40 40 VAL CA C 13 67.407 0.138 . 1 . . . . . . . . 4789 1 443 . 1 1 40 40 VAL HA H 1 3.609 0.016 . 1 . . . . . . . . 4789 1 444 . 1 1 40 40 VAL CB C 13 31.801 0.138 . 1 . . . . . . . . 4789 1 445 . 1 1 40 40 VAL HB H 1 2.274 0.016 . 1 . . . . . . . . 4789 1 446 . 1 1 40 40 VAL CG2 C 13 23.678 0.138 . 2 . . . . . . . . 4789 1 447 . 1 1 40 40 VAL HG21 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 448 . 1 1 40 40 VAL HG22 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 449 . 1 1 40 40 VAL HG23 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 450 . 1 1 40 40 VAL CG1 C 13 21.435 0.138 . 2 . . . . . . . . 4789 1 451 . 1 1 40 40 VAL HG11 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 452 . 1 1 40 40 VAL HG12 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 453 . 1 1 40 40 VAL HG13 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 454 . 1 1 40 40 VAL C C 13 178.579 0.138 . 1 . . . . . . . . 4789 1 455 . 1 1 41 41 GLN N N 15 118.698 0.109 . 1 . . . . . . . . 4789 1 456 . 1 1 41 41 GLN H H 1 8.192 0.016 . 1 . . . . . . . . 4789 1 457 . 1 1 41 41 GLN CA C 13 58.838 0.138 . 1 . . . . . . . . 4789 1 458 . 1 1 41 41 GLN HA H 1 4.069 0.016 . 1 . . . . . . . . 4789 1 459 . 1 1 41 41 GLN CB C 13 28.347 0.138 . 1 . . . . . . . . 4789 1 460 . 1 1 41 41 GLN CG C 13 33.596 0.138 . 1 . . . . . . . . 4789 1 461 . 1 1 41 41 GLN HG2 H 1 2.560 0.016 . 2 . . . . . . . . 4789 1 462 . 1 1 41 41 GLN C C 13 178.934 0.138 . 1 . . . . . . . . 4789 1 463 . 1 1 42 42 HIS N N 15 119.112 0.109 . 1 . . . . . . . . 4789 1 464 . 1 1 42 42 HIS H H 1 8.212 0.016 . 1 . . . . . . . . 4789 1 465 . 1 1 42 42 HIS CA C 13 59.725 0.138 . 1 . . . . . . . . 4789 1 466 . 1 1 42 42 HIS HA H 1 4.304 0.016 . 1 . . . . . . . . 4789 1 467 . 1 1 42 42 HIS CB C 13 26.959 0.138 . 1 . . . . . . . . 4789 1 468 . 1 1 42 42 HIS HB2 H 1 3.430 0.016 . 2 . . . . . . . . 4789 1 469 . 1 1 42 42 HIS HB3 H 1 3.913 0.016 . 2 . . . . . . . . 4789 1 470 . 1 1 42 42 HIS CD2 C 13 129.311 0.138 . 1 . . . . . . . . 4789 1 471 . 1 1 42 42 HIS HD2 H 1 7.057 0.016 . 2 . . . . . . . . 4789 1 472 . 1 1 42 42 HIS NE2 N 15 210.107 0.109 . 1 . . . . . . . . 4789 1 473 . 1 1 42 42 HIS CE1 C 13 139.626 0.138 . 1 . . . . . . . . 4789 1 474 . 1 1 42 42 HIS HE1 H 1 8.061 0.016 . 1 . . . . . . . . 4789 1 475 . 1 1 42 42 HIS ND1 N 15 163.880 0.109 . 1 . . . . . . . . 4789 1 476 . 1 1 42 42 HIS C C 13 178.174 0.138 . 1 . . . . . . . . 4789 1 477 . 1 1 43 43 THR N N 15 113.207 0.109 . 1 . . . . . . . . 4789 1 478 . 1 1 43 43 THR H H 1 8.146 0.016 . 1 . . . . . . . . 4789 1 479 . 1 1 43 43 THR CA C 13 66.100 0.138 . 1 . . . . . . . . 4789 1 480 . 1 1 43 43 THR HA H 1 3.988 0.016 . 1 . . . . . . . . 4789 1 481 . 1 1 43 43 THR CB C 13 69.440 0.138 . 1 . . . . . . . . 4789 1 482 . 1 1 43 43 THR HB H 1 4.316 0.016 . 1 . . . . . . . . 4789 1 483 . 1 1 43 43 THR CG2 C 13 21.381 0.138 . 1 . . . . . . . . 4789 1 484 . 1 1 43 43 THR HG21 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 485 . 1 1 43 43 THR HG22 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 486 . 1 1 43 43 THR HG23 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 487 . 1 1 43 43 THR C C 13 175.889 0.138 . 1 . . . . . . . . 4789 1 488 . 1 1 44 44 LYS N N 15 119.978 0.109 . 1 . . . . . . . . 4789 1 489 . 1 1 44 44 LYS H H 1 7.407 0.016 . 1 . . . . . . . . 4789 1 490 . 1 1 44 44 LYS CA C 13 58.879 0.138 . 1 . . . . . . . . 4789 1 491 . 1 1 44 44 LYS HA H 1 4.125 0.016 . 1 . . . . . . . . 4789 1 492 . 1 1 44 44 LYS CB C 13 32.244 0.138 . 1 . . . . . . . . 4789 1 493 . 1 1 44 44 LYS HB2 H 1 1.950 0.016 . 1 . . . . . . . . 4789 1 494 . 1 1 44 44 LYS HB3 H 1 1.950 0.016 . 1 . . . . . . . . 4789 1 495 . 1 1 44 44 LYS CG C 13 25.419 0.138 . 1 . . . . . . . . 4789 1 496 . 1 1 44 44 LYS HG2 H 1 1.620 0.016 . 2 . . . . . . . . 4789 1 497 . 1 1 44 44 LYS CD C 13 29.138 0.138 . 1 . . . . . . . . 4789 1 498 . 1 1 44 44 LYS HD2 H 1 1.751 0.016 . 2 . . . . . . . . 4789 1 499 . 1 1 44 44 LYS CE C 13 41.873 0.138 . 1 . . . . . . . . 4789 1 500 . 1 1 44 44 LYS HE2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 501 . 1 1 44 44 LYS C C 13 177.782 0.138 . 1 . . . . . . . . 4789 1 502 . 1 1 45 45 GLY N N 15 103.578 0.109 . 1 . . . . . . . . 4789 1 503 . 1 1 45 45 GLY H H 1 7.143 0.016 . 1 . . . . . . . . 4789 1 504 . 1 1 45 45 GLY CA C 13 44.525 0.138 . 1 . . . . . . . . 4789 1 505 . 1 1 45 45 GLY HA3 H 1 4.466 0.016 . 2 . . . . . . . . 4789 1 506 . 1 1 45 45 GLY HA2 H 1 3.695 0.016 . 2 . . . . . . . . 4789 1 507 . 1 1 45 45 GLY C C 13 173.791 0.138 . 1 . . . . . . . . 4789 1 508 . 1 1 46 46 CYS N N 15 123.413 0.109 . 1 . . . . . . . . 4789 1 509 . 1 1 46 46 CYS H H 1 6.957 0.016 . 1 . . . . . . . . 4789 1 510 . 1 1 46 46 CYS CA C 13 60.988 0.138 . 1 . . . . . . . . 4789 1 511 . 1 1 46 46 CYS HA H 1 4.043 0.016 . 1 . . . . . . . . 4789 1 512 . 1 1 46 46 CYS CB C 13 30.025 0.138 . 1 . . . . . . . . 4789 1 513 . 1 1 46 46 CYS HB2 H 1 2.800 0.016 . 2 . . . . . . . . 4789 1 514 . 1 1 46 46 CYS HB3 H 1 2.077 0.016 . 2 . . . . . . . . 4789 1 515 . 1 1 46 46 CYS C C 13 176.757 0.138 . 1 . . . . . . . . 4789 1 516 . 1 1 47 47 LYS N N 15 128.072 0.109 . 1 . . . . . . . . 4789 1 517 . 1 1 47 47 LYS H H 1 9.039 0.016 . 1 . . . . . . . . 4789 1 518 . 1 1 47 47 LYS CA C 13 56.650 0.138 . 1 . . . . . . . . 4789 1 519 . 1 1 47 47 LYS HA H 1 4.555 0.016 . 1 . . . . . . . . 4789 1 520 . 1 1 47 47 LYS CB C 13 31.127 0.138 . 1 . . . . . . . . 4789 1 521 . 1 1 47 47 LYS HB2 H 1 2.030 0.016 . 2 . . . . . . . . 4789 1 522 . 1 1 47 47 LYS HB3 H 1 1.998 0.016 . 2 . . . . . . . . 4789 1 523 . 1 1 47 47 LYS CG C 13 25.146 0.138 . 1 . . . . . . . . 4789 1 524 . 1 1 47 47 LYS HG2 H 1 1.677 0.016 . 1 . . . . . . . . 4789 1 525 . 1 1 47 47 LYS HG3 H 1 1.677 0.016 . 1 . . . . . . . . 4789 1 526 . 1 1 47 47 LYS CD C 13 28.745 0.138 . 1 . . . . . . . . 4789 1 527 . 1 1 47 47 LYS HD2 H 1 1.788 0.016 . 2 . . . . . . . . 4789 1 528 . 1 1 47 47 LYS CE C 13 41.998 0.138 . 1 . . . . . . . . 4789 1 529 . 1 1 47 47 LYS HE2 H 1 3.081 0.016 . 2 . . . . . . . . 4789 1 530 . 1 1 47 47 LYS C C 13 177.543 0.138 . 1 . . . . . . . . 4789 1 531 . 1 1 48 48 ARG N N 15 122.404 0.109 . 1 . . . . . . . . 4789 1 532 . 1 1 48 48 ARG H H 1 8.532 0.016 . 1 . . . . . . . . 4789 1 533 . 1 1 48 48 ARG CA C 13 57.605 0.138 . 1 . . . . . . . . 4789 1 534 . 1 1 48 48 ARG HA H 1 4.462 0.016 . 1 . . . . . . . . 4789 1 535 . 1 1 48 48 ARG CB C 13 31.580 0.138 . 1 . . . . . . . . 4789 1 536 . 1 1 48 48 ARG HB2 H 1 1.952 0.016 . 2 . . . . . . . . 4789 1 537 . 1 1 48 48 ARG HB3 H 1 1.867 0.016 . 2 . . . . . . . . 4789 1 538 . 1 1 48 48 ARG CG C 13 27.370 0.138 . 1 . . . . . . . . 4789 1 539 . 1 1 48 48 ARG HG2 H 1 1.766 0.016 . 2 . . . . . . . . 4789 1 540 . 1 1 48 48 ARG CD C 13 43.218 0.138 . 1 . . . . . . . . 4789 1 541 . 1 1 48 48 ARG HD2 H 1 3.342 0.016 . 2 . . . . . . . . 4789 1 542 . 1 1 48 48 ARG C C 13 176.949 0.138 . 1 . . . . . . . . 4789 1 543 . 1 1 49 49 LYS N N 15 118.251 0.109 . 1 . . . . . . . . 4789 1 544 . 1 1 49 49 LYS H H 1 8.354 0.016 . 1 . . . . . . . . 4789 1 545 . 1 1 49 49 LYS CA C 13 57.759 0.138 . 1 . . . . . . . . 4789 1 546 . 1 1 49 49 LYS HA H 1 4.628 0.016 . 1 . . . . . . . . 4789 1 547 . 1 1 49 49 LYS CB C 13 32.198 0.138 . 1 . . . . . . . . 4789 1 548 . 1 1 49 49 LYS HB2 H 1 2.342 0.016 . 2 . . . . . . . . 4789 1 549 . 1 1 49 49 LYS HB3 H 1 2.174 0.016 . 2 . . . . . . . . 4789 1 550 . 1 1 49 49 LYS CG C 13 24.752 0.138 . 1 . . . . . . . . 4789 1 551 . 1 1 49 49 LYS HG2 H 1 1.645 0.016 . 2 . . . . . . . . 4789 1 552 . 1 1 49 49 LYS HG3 H 1 1.391 0.016 . 2 . . . . . . . . 4789 1 553 . 1 1 49 49 LYS CD C 13 29.860 0.138 . 1 . . . . . . . . 4789 1 554 . 1 1 49 49 LYS HD2 H 1 1.815 0.016 . 2 . . . . . . . . 4789 1 555 . 1 1 49 49 LYS CE C 13 42.414 0.138 . 1 . . . . . . . . 4789 1 556 . 1 1 49 49 LYS HE2 H 1 3.196 0.016 . 2 . . . . . . . . 4789 1 557 . 1 1 49 49 LYS C C 13 177.212 0.138 . 1 . . . . . . . . 4789 1 558 . 1 1 50 50 THR N N 15 113.558 0.109 . 1 . . . . . . . . 4789 1 559 . 1 1 50 50 THR H H 1 7.797 0.016 . 1 . . . . . . . . 4789 1 560 . 1 1 50 50 THR CA C 13 63.995 0.138 . 1 . . . . . . . . 4789 1 561 . 1 1 50 50 THR HA H 1 4.187 0.016 . 1 . . . . . . . . 4789 1 562 . 1 1 50 50 THR CB C 13 68.637 0.138 . 1 . . . . . . . . 4789 1 563 . 1 1 50 50 THR HB H 1 4.281 0.016 . 1 . . . . . . . . 4789 1 564 . 1 1 50 50 THR C C 13 175.979 0.138 . 1 . . . . . . . . 4789 1 565 . 1 1 51 51 ASN N N 15 119.714 0.109 . 1 . . . . . . . . 4789 1 566 . 1 1 51 51 ASN H H 1 8.347 0.016 . 1 . . . . . . . . 4789 1 567 . 1 1 51 51 ASN CA C 13 53.699 0.138 . 1 . . . . . . . . 4789 1 568 . 1 1 51 51 ASN HA H 1 4.808 0.016 . 1 . . . . . . . . 4789 1 569 . 1 1 51 51 ASN CB C 13 38.180 0.138 . 1 . . . . . . . . 4789 1 570 . 1 1 51 51 ASN HB2 H 1 2.939 0.016 . 2 . . . . . . . . 4789 1 571 . 1 1 51 51 ASN ND2 N 15 112.094 0.109 . 1 . . . . . . . . 4789 1 572 . 1 1 51 51 ASN C C 13 175.975 0.138 . 1 . . . . . . . . 4789 1 573 . 1 1 52 52 GLY N N 15 107.285 0.109 . 1 . . . . . . . . 4789 1 574 . 1 1 52 52 GLY H H 1 7.975 0.016 . 1 . . . . . . . . 4789 1 575 . 1 1 52 52 GLY CA C 13 45.753 0.138 . 1 . . . . . . . . 4789 1 576 . 1 1 52 52 GLY HA2 H 1 4.072 0.016 . 1 . . . . . . . . 4789 1 577 . 1 1 52 52 GLY HA3 H 1 4.072 0.016 . 1 . . . . . . . . 4789 1 578 . 1 1 52 52 GLY C C 13 175.280 0.138 . 1 . . . . . . . . 4789 1 579 . 1 1 53 53 GLY N N 15 107.090 0.109 . 1 . . . . . . . . 4789 1 580 . 1 1 53 53 GLY H H 1 7.807 0.016 . 1 . . . . . . . . 4789 1 581 . 1 1 53 53 GLY CA C 13 45.495 0.138 . 1 . . . . . . . . 4789 1 582 . 1 1 53 53 GLY HA3 H 1 3.940 0.016 . 2 . . . . . . . . 4789 1 583 . 1 1 53 53 GLY HA2 H 1 4.087 0.016 . 2 . . . . . . . . 4789 1 584 . 1 1 53 53 GLY C C 13 173.303 0.138 . 1 . . . . . . . . 4789 1 585 . 1 1 54 54 CYS N N 15 122.411 0.109 . 1 . . . . . . . . 4789 1 586 . 1 1 54 54 CYS H H 1 8.081 0.016 . 1 . . . . . . . . 4789 1 587 . 1 1 54 54 CYS CA C 13 55.698 0.138 . 1 . . . . . . . . 4789 1 588 . 1 1 54 54 CYS HA H 1 4.918 0.016 . 1 . . . . . . . . 4789 1 589 . 1 1 54 54 CYS CB C 13 30.622 0.138 . 1 . . . . . . . . 4789 1 590 . 1 1 54 54 CYS HB2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 591 . 1 1 54 54 CYS HB3 H 1 2.763 0.016 . 2 . . . . . . . . 4789 1 592 . 1 1 55 55 PRO CA C 13 65.242 0.138 . 1 . . . . . . . . 4789 1 593 . 1 1 55 55 PRO HA H 1 4.410 0.016 . 1 . . . . . . . . 4789 1 594 . 1 1 55 55 PRO CB C 13 32.493 0.138 . 1 . . . . . . . . 4789 1 595 . 1 1 55 55 PRO HB2 H 1 2.481 0.016 . 2 . . . . . . . . 4789 1 596 . 1 1 55 55 PRO HB3 H 1 2.125 0.016 . 2 . . . . . . . . 4789 1 597 . 1 1 55 55 PRO CG C 13 27.421 0.138 . 1 . . . . . . . . 4789 1 598 . 1 1 55 55 PRO HG2 H 1 2.214 0.016 . 2 . . . . . . . . 4789 1 599 . 1 1 55 55 PRO CD C 13 51.582 0.138 . 1 . . . . . . . . 4789 1 600 . 1 1 55 55 PRO HD2 H 1 4.135 0.016 . 2 . . . . . . . . 4789 1 601 . 1 1 56 56 VAL N N 15 122.003 0.109 . 1 . . . . . . . . 4789 1 602 . 1 1 56 56 VAL H H 1 7.816 0.016 . 1 . . . . . . . . 4789 1 603 . 1 1 56 56 VAL CA C 13 66.048 0.138 . 1 . . . . . . . . 4789 1 604 . 1 1 56 56 VAL HA H 1 3.780 0.016 . 1 . . . . . . . . 4789 1 605 . 1 1 56 56 VAL CB C 13 32.810 0.138 . 1 . . . . . . . . 4789 1 606 . 1 1 57 57 CYS N N 15 123.696 0.109 . 1 . . . . . . . . 4789 1 607 . 1 1 57 57 CYS H H 1 8.762 0.016 . 1 . . . . . . . . 4789 1 608 . 1 1 57 57 CYS CA C 13 65.722 0.138 . 1 . . . . . . . . 4789 1 609 . 1 1 57 57 CYS HA H 1 4.233 0.016 . 1 . . . . . . . . 4789 1 610 . 1 1 57 57 CYS CB C 13 29.640 0.138 . 1 . . . . . . . . 4789 1 611 . 1 1 57 57 CYS HB2 H 1 2.882 0.016 . 2 . . . . . . . . 4789 1 612 . 1 1 57 57 CYS HB3 H 1 3.023 0.016 . 2 . . . . . . . . 4789 1 613 . 1 1 57 57 CYS C C 13 177.520 0.138 . 1 . . . . . . . . 4789 1 614 . 1 1 58 58 LYS N N 15 117.941 0.109 . 1 . . . . . . . . 4789 1 615 . 1 1 58 58 LYS H H 1 8.164 0.016 . 1 . . . . . . . . 4789 1 616 . 1 1 58 58 LYS CA C 13 60.179 0.138 . 1 . . . . . . . . 4789 1 617 . 1 1 58 58 LYS HA H 1 3.980 0.016 . 1 . . . . . . . . 4789 1 618 . 1 1 58 58 LYS CB C 13 32.710 0.138 . 1 . . . . . . . . 4789 1 619 . 1 1 58 58 LYS HB2 H 1 1.903 0.016 . 2 . . . . . . . . 4789 1 620 . 1 1 58 58 LYS HB3 H 1 1.948 0.016 . 2 . . . . . . . . 4789 1 621 . 1 1 58 58 LYS CG C 13 25.252 0.138 . 1 . . . . . . . . 4789 1 622 . 1 1 58 58 LYS HG2 H 1 1.463 0.016 . 2 . . . . . . . . 4789 1 623 . 1 1 58 58 LYS HG3 H 1 1.637 0.016 . 2 . . . . . . . . 4789 1 624 . 1 1 58 58 LYS CD C 13 29.370 0.138 . 1 . . . . . . . . 4789 1 625 . 1 1 58 58 LYS HD2 H 1 1.727 0.016 . 2 . . . . . . . . 4789 1 626 . 1 1 58 58 LYS CE C 13 41.908 0.138 . 1 . . . . . . . . 4789 1 627 . 1 1 58 58 LYS HE2 H 1 3.033 0.016 . 2 . . . . . . . . 4789 1 628 . 1 1 58 58 LYS C C 13 179.230 0.138 . 1 . . . . . . . . 4789 1 629 . 1 1 59 59 GLN N N 15 117.992 0.109 . 1 . . . . . . . . 4789 1 630 . 1 1 59 59 GLN H H 1 7.501 0.016 . 1 . . . . . . . . 4789 1 631 . 1 1 59 59 GLN CA C 13 58.547 0.138 . 1 . . . . . . . . 4789 1 632 . 1 1 59 59 GLN HA H 1 4.257 0.016 . 1 . . . . . . . . 4789 1 633 . 1 1 59 59 GLN CB C 13 28.358 0.138 . 1 . . . . . . . . 4789 1 634 . 1 1 59 59 GLN HB2 H 1 2.296 0.016 . 2 . . . . . . . . 4789 1 635 . 1 1 59 59 GLN CG C 13 34.053 0.138 . 1 . . . . . . . . 4789 1 636 . 1 1 59 59 GLN HG2 H 1 2.539 0.016 . 2 . . . . . . . . 4789 1 637 . 1 1 59 59 GLN NE2 N 15 110.807 0.109 . 1 . . . . . . . . 4789 1 638 . 1 1 59 59 GLN HE21 H 1 7.419 0.016 . 2 . . . . . . . . 4789 1 639 . 1 1 59 59 GLN HE22 H 1 6.828 0.016 . 2 . . . . . . . . 4789 1 640 . 1 1 59 59 GLN C C 13 178.329 0.138 . 1 . . . . . . . . 4789 1 641 . 1 1 60 60 LEU N N 15 120.970 0.109 . 1 . . . . . . . . 4789 1 642 . 1 1 60 60 LEU H H 1 7.881 0.016 . 1 . . . . . . . . 4789 1 643 . 1 1 60 60 LEU CA C 13 57.981 0.138 . 1 . . . . . . . . 4789 1 644 . 1 1 60 60 LEU HA H 1 4.293 0.016 . 1 . . . . . . . . 4789 1 645 . 1 1 60 60 LEU CB C 13 41.388 0.138 . 1 . . . . . . . . 4789 1 646 . 1 1 60 60 LEU HB2 H 1 2.131 0.016 . 2 . . . . . . . . 4789 1 647 . 1 1 60 60 LEU HB3 H 1 1.749 0.016 . 2 . . . . . . . . 4789 1 648 . 1 1 60 60 LEU CG C 13 27.490 0.138 . 1 . . . . . . . . 4789 1 649 . 1 1 60 60 LEU HG H 1 1.921 0.016 . 1 . . . . . . . . 4789 1 650 . 1 1 60 60 LEU CD1 C 13 24.233 0.138 . 2 . . . . . . . . 4789 1 651 . 1 1 60 60 LEU HD11 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 652 . 1 1 60 60 LEU HD12 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 653 . 1 1 60 60 LEU HD13 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 654 . 1 1 60 60 LEU CD2 C 13 26.076 0.138 . 2 . . . . . . . . 4789 1 655 . 1 1 60 60 LEU HD21 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 656 . 1 1 60 60 LEU HD22 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 657 . 1 1 60 60 LEU HD23 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 658 . 1 1 60 60 LEU C C 13 179.141 0.138 . 1 . . . . . . . . 4789 1 659 . 1 1 61 61 ILE N N 15 120.151 0.109 . 1 . . . . . . . . 4789 1 660 . 1 1 61 61 ILE H H 1 8.807 0.016 . 1 . . . . . . . . 4789 1 661 . 1 1 61 61 ILE CA C 13 65.459 0.138 . 1 . . . . . . . . 4789 1 662 . 1 1 61 61 ILE HA H 1 3.629 0.016 . 1 . . . . . . . . 4789 1 663 . 1 1 61 61 ILE CB C 13 37.416 0.138 . 1 . . . . . . . . 4789 1 664 . 1 1 61 61 ILE HB H 1 1.826 0.016 . 1 . . . . . . . . 4789 1 665 . 1 1 61 61 ILE CG1 C 13 30.291 0.138 . 2 . . . . . . . . 4789 1 666 . 1 1 61 61 ILE HG12 H 1 1.504 0.016 . 1 . . . . . . . . 4789 1 667 . 1 1 61 61 ILE HG13 H 1 1.504 0.016 . 1 . . . . . . . . 4789 1 668 . 1 1 61 61 ILE CD1 C 13 12.784 0.138 . 1 . . . . . . . . 4789 1 669 . 1 1 61 61 ILE HD11 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 670 . 1 1 61 61 ILE HD12 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 671 . 1 1 61 61 ILE HD13 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 672 . 1 1 61 61 ILE CG2 C 13 17.424 0.138 . 2 . . . . . . . . 4789 1 673 . 1 1 61 61 ILE HG21 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 674 . 1 1 61 61 ILE HG22 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 675 . 1 1 61 61 ILE HG23 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 676 . 1 1 61 61 ILE C C 13 177.867 0.138 . 1 . . . . . . . . 4789 1 677 . 1 1 62 62 ALA N N 15 122.189 0.109 . 1 . . . . . . . . 4789 1 678 . 1 1 62 62 ALA H H 1 7.641 0.016 . 1 . . . . . . . . 4789 1 679 . 1 1 62 62 ALA CA C 13 55.603 0.138 . 1 . . . . . . . . 4789 1 680 . 1 1 62 62 ALA HA H 1 4.233 0.016 . 1 . . . . . . . . 4789 1 681 . 1 1 62 62 ALA CB C 13 17.793 0.138 . 1 . . . . . . . . 4789 1 682 . 1 1 62 62 ALA HB1 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 683 . 1 1 62 62 ALA HB2 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 684 . 1 1 62 62 ALA HB3 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 685 . 1 1 62 62 ALA C C 13 181.074 0.138 . 1 . . . . . . . . 4789 1 686 . 1 1 63 63 LEU N N 15 118.720 0.109 . 1 . . . . . . . . 4789 1 687 . 1 1 63 63 LEU H H 1 7.702 0.016 . 1 . . . . . . . . 4789 1 688 . 1 1 63 63 LEU CA C 13 57.919 0.138 . 1 . . . . . . . . 4789 1 689 . 1 1 63 63 LEU HA H 1 4.284 0.016 . 1 . . . . . . . . 4789 1 690 . 1 1 63 63 LEU CB C 13 42.445 0.138 . 1 . . . . . . . . 4789 1 691 . 1 1 63 63 LEU HB2 H 1 1.742 0.016 . 2 . . . . . . . . 4789 1 692 . 1 1 63 63 LEU HB3 H 1 2.249 0.016 . 2 . . . . . . . . 4789 1 693 . 1 1 63 63 LEU CG C 13 26.753 0.138 . 1 . . . . . . . . 4789 1 694 . 1 1 63 63 LEU HG H 1 2.068 0.016 . 1 . . . . . . . . 4789 1 695 . 1 1 63 63 LEU CD1 C 13 24.093 0.138 . 2 . . . . . . . . 4789 1 696 . 1 1 63 63 LEU HD11 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 697 . 1 1 63 63 LEU HD12 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 698 . 1 1 63 63 LEU HD13 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 699 . 1 1 63 63 LEU CD2 C 13 25.651 0.138 . 2 . . . . . . . . 4789 1 700 . 1 1 63 63 LEU HD21 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 701 . 1 1 63 63 LEU HD22 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 702 . 1 1 63 63 LEU HD23 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 703 . 1 1 63 63 LEU C C 13 179.272 0.138 . 1 . . . . . . . . 4789 1 704 . 1 1 64 64 CYS N N 15 118.582 0.109 . 1 . . . . . . . . 4789 1 705 . 1 1 64 64 CYS H H 1 8.677 0.016 . 1 . . . . . . . . 4789 1 706 . 1 1 64 64 CYS CA C 13 64.294 0.138 . 1 . . . . . . . . 4789 1 707 . 1 1 64 64 CYS HA H 1 4.106 0.016 . 1 . . . . . . . . 4789 1 708 . 1 1 64 64 CYS CB C 13 26.587 0.138 . 1 . . . . . . . . 4789 1 709 . 1 1 64 64 CYS HB2 H 1 3.321 0.016 . 2 . . . . . . . . 4789 1 710 . 1 1 64 64 CYS HB3 H 1 3.194 0.016 . 2 . . . . . . . . 4789 1 711 . 1 1 64 64 CYS C C 13 177.284 0.138 . 1 . . . . . . . . 4789 1 712 . 1 1 65 65 CYS N N 15 118.723 0.109 . 1 . . . . . . . . 4789 1 713 . 1 1 65 65 CYS H H 1 8.757 0.016 . 1 . . . . . . . . 4789 1 714 . 1 1 65 65 CYS CA C 13 63.733 0.138 . 1 . . . . . . . . 4789 1 715 . 1 1 65 65 CYS HA H 1 4.262 0.016 . 1 . . . . . . . . 4789 1 716 . 1 1 65 65 CYS CB C 13 26.538 0.138 . 1 . . . . . . . . 4789 1 717 . 1 1 65 65 CYS HB2 H 1 2.938 0.016 . 2 . . . . . . . . 4789 1 718 . 1 1 65 65 CYS HB3 H 1 3.143 0.016 . 2 . . . . . . . . 4789 1 719 . 1 1 65 65 CYS C C 13 176.845 0.138 . 1 . . . . . . . . 4789 1 720 . 1 1 66 66 TYR N N 15 120.205 0.109 . 1 . . . . . . . . 4789 1 721 . 1 1 66 66 TYR H H 1 7.751 0.016 . 1 . . . . . . . . 4789 1 722 . 1 1 66 66 TYR CA C 13 61.503 0.138 . 1 . . . . . . . . 4789 1 723 . 1 1 66 66 TYR HA H 1 4.312 0.016 . 1 . . . . . . . . 4789 1 724 . 1 1 66 66 TYR CB C 13 38.174 0.138 . 1 . . . . . . . . 4789 1 725 . 1 1 66 66 TYR HB2 H 1 3.300 0.016 . 2 . . . . . . . . 4789 1 726 . 1 1 66 66 TYR CE1 C 13 159.567 0.138 . 2 . . . . . . . . 4789 1 727 . 1 1 66 66 TYR HE1 H 1 6.905 0.016 . 2 . . . . . . . . 4789 1 728 . 1 1 66 66 TYR C C 13 178.623 0.138 . 1 . . . . . . . . 4789 1 729 . 1 1 67 67 HIS N N 15 117.996 0.109 . 1 . . . . . . . . 4789 1 730 . 1 1 67 67 HIS H H 1 8.379 0.016 . 1 . . . . . . . . 4789 1 731 . 1 1 67 67 HIS CA C 13 59.217 0.138 . 1 . . . . . . . . 4789 1 732 . 1 1 67 67 HIS HA H 1 4.411 0.016 . 1 . . . . . . . . 4789 1 733 . 1 1 67 67 HIS CB C 13 27.836 0.138 . 1 . . . . . . . . 4789 1 734 . 1 1 67 67 HIS HB2 H 1 3.675 0.016 . 2 . . . . . . . . 4789 1 735 . 1 1 67 67 HIS HB3 H 1 3.268 0.016 . 2 . . . . . . . . 4789 1 736 . 1 1 67 67 HIS CD2 C 13 129.900 0.138 . 1 . . . . . . . . 4789 1 737 . 1 1 67 67 HIS HD2 H 1 7.181 0.016 . 2 . . . . . . . . 4789 1 738 . 1 1 67 67 HIS NE2 N 15 212.788 0.109 . 1 . . . . . . . . 4789 1 739 . 1 1 67 67 HIS CE1 C 13 140.532 0.138 . 1 . . . . . . . . 4789 1 740 . 1 1 67 67 HIS HE1 H 1 8.123 0.016 . 1 . . . . . . . . 4789 1 741 . 1 1 67 67 HIS ND1 N 15 162.018 0.109 . 1 . . . . . . . . 4789 1 742 . 1 1 67 67 HIS C C 13 176.794 0.138 . 1 . . . . . . . . 4789 1 743 . 1 1 68 68 ALA N N 15 120.391 0.109 . 1 . . . . . . . . 4789 1 744 . 1 1 68 68 ALA H H 1 8.634 0.016 . 1 . . . . . . . . 4789 1 745 . 1 1 68 68 ALA CA C 13 54.758 0.138 . 1 . . . . . . . . 4789 1 746 . 1 1 68 68 ALA HA H 1 4.171 0.016 . 1 . . . . . . . . 4789 1 747 . 1 1 68 68 ALA CB C 13 19.908 0.138 . 1 . . . . . . . . 4789 1 748 . 1 1 68 68 ALA HB1 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 749 . 1 1 68 68 ALA HB2 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 750 . 1 1 68 68 ALA HB3 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 751 . 1 1 68 68 ALA C C 13 179.001 0.138 . 1 . . . . . . . . 4789 1 752 . 1 1 69 69 LYS N N 15 114.572 0.109 . 1 . . . . . . . . 4789 1 753 . 1 1 69 69 LYS H H 1 7.077 0.016 . 1 . . . . . . . . 4789 1 754 . 1 1 69 69 LYS CA C 13 57.955 0.138 . 1 . . . . . . . . 4789 1 755 . 1 1 69 69 LYS HA H 1 3.962 0.016 . 1 . . . . . . . . 4789 1 756 . 1 1 69 69 LYS CB C 13 32.440 0.138 . 1 . . . . . . . . 4789 1 757 . 1 1 69 69 LYS HB2 H 1 1.686 0.016 . 2 . . . . . . . . 4789 1 758 . 1 1 69 69 LYS HB3 H 1 1.524 0.016 . 2 . . . . . . . . 4789 1 759 . 1 1 69 69 LYS CG C 13 24.642 0.138 . 1 . . . . . . . . 4789 1 760 . 1 1 69 69 LYS HG2 H 1 1.269 0.016 . 2 . . . . . . . . 4789 1 761 . 1 1 69 69 LYS HG3 H 1 1.387 0.016 . 2 . . . . . . . . 4789 1 762 . 1 1 69 69 LYS CD C 13 28.864 0.138 . 1 . . . . . . . . 4789 1 763 . 1 1 69 69 LYS HD2 H 1 1.636 0.016 . 2 . . . . . . . . 4789 1 764 . 1 1 69 69 LYS CE C 13 41.852 0.138 . 1 . . . . . . . . 4789 1 765 . 1 1 69 69 LYS HE2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 766 . 1 1 69 69 LYS C C 13 176.657 0.138 . 1 . . . . . . . . 4789 1 767 . 1 1 70 70 HIS N N 15 113.415 0.109 . 1 . . . . . . . . 4789 1 768 . 1 1 70 70 HIS H H 1 7.134 0.016 . 1 . . . . . . . . 4789 1 769 . 1 1 70 70 HIS CA C 13 54.684 0.138 . 1 . . . . . . . . 4789 1 770 . 1 1 70 70 HIS HA H 1 4.824 0.016 . 1 . . . . . . . . 4789 1 771 . 1 1 70 70 HIS CB C 13 30.478 0.138 . 1 . . . . . . . . 4789 1 772 . 1 1 70 70 HIS HB2 H 1 3.450 0.016 . 2 . . . . . . . . 4789 1 773 . 1 1 70 70 HIS HB3 H 1 2.895 0.016 . 2 . . . . . . . . 4789 1 774 . 1 1 70 70 HIS CD2 C 13 121.546 0.138 . 1 . . . . . . . . 4789 1 775 . 1 1 70 70 HIS HD2 H 1 7.029 0.016 . 2 . . . . . . . . 4789 1 776 . 1 1 70 70 HIS NE2 N 15 174.969 0.109 . 1 . . . . . . . . 4789 1 777 . 1 1 70 70 HIS CE1 C 13 137.476 0.138 . 1 . . . . . . . . 4789 1 778 . 1 1 70 70 HIS HE1 H 1 8.032 0.016 . 1 . . . . . . . . 4789 1 779 . 1 1 70 70 HIS ND1 N 15 184.215 0.109 . 1 . . . . . . . . 4789 1 780 . 1 1 70 70 HIS C C 13 173.535 0.138 . 1 . . . . . . . . 4789 1 781 . 1 1 71 71 CYS N N 15 123.576 0.109 . 1 . . . . . . . . 4789 1 782 . 1 1 71 71 CYS H H 1 7.061 0.016 . 1 . . . . . . . . 4789 1 783 . 1 1 71 71 CYS CA C 13 60.424 0.138 . 1 . . . . . . . . 4789 1 784 . 1 1 71 71 CYS HA H 1 4.158 0.016 . 1 . . . . . . . . 4789 1 785 . 1 1 71 71 CYS CB C 13 30.274 0.138 . 1 . . . . . . . . 4789 1 786 . 1 1 71 71 CYS HB2 H 1 2.495 0.016 . 2 . . . . . . . . 4789 1 787 . 1 1 71 71 CYS HB3 H 1 1.920 0.016 . 2 . . . . . . . . 4789 1 788 . 1 1 71 71 CYS C C 13 176.059 0.138 . 1 . . . . . . . . 4789 1 789 . 1 1 72 72 GLN N N 15 128.275 0.109 . 1 . . . . . . . . 4789 1 790 . 1 1 72 72 GLN H H 1 9.110 0.016 . 1 . . . . . . . . 4789 1 791 . 1 1 72 72 GLN CA C 13 54.607 0.138 . 1 . . . . . . . . 4789 1 792 . 1 1 72 72 GLN HA H 1 4.733 0.016 . 1 . . . . . . . . 4789 1 793 . 1 1 72 72 GLN CB C 13 29.603 0.138 . 1 . . . . . . . . 4789 1 794 . 1 1 72 72 GLN HB2 H 1 2.506 0.016 . 2 . . . . . . . . 4789 1 795 . 1 1 72 72 GLN HB3 H 1 1.723 0.016 . 2 . . . . . . . . 4789 1 796 . 1 1 72 72 GLN CG C 13 31.858 0.138 . 1 . . . . . . . . 4789 1 797 . 1 1 72 72 GLN HG2 H 1 2.407 0.016 . 2 . . . . . . . . 4789 1 798 . 1 1 72 72 GLN HG3 H 1 2.212 0.016 . 2 . . . . . . . . 4789 1 799 . 1 1 72 72 GLN NE2 N 15 112.362 0.109 . 1 . . . . . . . . 4789 1 800 . 1 1 72 72 GLN HE21 H 1 7.411 0.016 . 2 . . . . . . . . 4789 1 801 . 1 1 72 72 GLN HE22 H 1 6.811 0.016 . 2 . . . . . . . . 4789 1 802 . 1 1 72 72 GLN C C 13 175.578 0.138 . 1 . . . . . . . . 4789 1 803 . 1 1 73 73 GLU N N 15 123.335 0.109 . 1 . . . . . . . . 4789 1 804 . 1 1 73 73 GLU H H 1 8.464 0.016 . 1 . . . . . . . . 4789 1 805 . 1 1 73 73 GLU CA C 13 56.010 0.138 . 1 . . . . . . . . 4789 1 806 . 1 1 73 73 GLU HA H 1 4.440 0.016 . 1 . . . . . . . . 4789 1 807 . 1 1 73 73 GLU CB C 13 30.201 0.138 . 1 . . . . . . . . 4789 1 808 . 1 1 73 73 GLU HB2 H 1 2.026 0.016 . 2 . . . . . . . . 4789 1 809 . 1 1 73 73 GLU CG C 13 36.002 0.138 . 1 . . . . . . . . 4789 1 810 . 1 1 73 73 GLU HG2 H 1 2.485 0.016 . 2 . . . . . . . . 4789 1 811 . 1 1 73 73 GLU HG3 H 1 2.445 0.016 . 2 . . . . . . . . 4789 1 812 . 1 1 73 73 GLU C C 13 176.614 0.138 . 1 . . . . . . . . 4789 1 813 . 1 1 74 74 ASN N N 15 124.671 0.109 . 1 . . . . . . . . 4789 1 814 . 1 1 74 74 ASN H H 1 8.895 0.016 . 1 . . . . . . . . 4789 1 815 . 1 1 74 74 ASN CA C 13 55.059 0.138 . 1 . . . . . . . . 4789 1 816 . 1 1 74 74 ASN HA H 1 4.616 0.016 . 1 . . . . . . . . 4789 1 817 . 1 1 74 74 ASN CB C 13 38.666 0.138 . 1 . . . . . . . . 4789 1 818 . 1 1 74 74 ASN HB2 H 1 2.885 0.016 . 2 . . . . . . . . 4789 1 819 . 1 1 74 74 ASN C C 13 175.708 0.138 . 1 . . . . . . . . 4789 1 820 . 1 1 75 75 LYS N N 15 120.838 0.109 . 1 . . . . . . . . 4789 1 821 . 1 1 75 75 LYS H H 1 8.774 0.016 . 1 . . . . . . . . 4789 1 822 . 1 1 75 75 LYS CA C 13 54.860 0.138 . 1 . . . . . . . . 4789 1 823 . 1 1 75 75 LYS HA H 1 4.416 0.016 . 1 . . . . . . . . 4789 1 824 . 1 1 75 75 LYS CB C 13 30.958 0.138 . 1 . . . . . . . . 4789 1 825 . 1 1 75 75 LYS HB2 H 1 1.966 0.016 . 2 . . . . . . . . 4789 1 826 . 1 1 75 75 LYS HB3 H 1 1.739 0.016 . 2 . . . . . . . . 4789 1 827 . 1 1 75 75 LYS CG C 13 24.813 0.138 . 1 . . . . . . . . 4789 1 828 . 1 1 75 75 LYS HG2 H 1 1.437 0.016 . 2 . . . . . . . . 4789 1 829 . 1 1 75 75 LYS CD C 13 29.105 0.138 . 1 . . . . . . . . 4789 1 830 . 1 1 75 75 LYS HD3 H 1 1.759 0.016 . 2 . . . . . . . . 4789 1 831 . 1 1 75 75 LYS CE C 13 41.942 0.138 . 1 . . . . . . . . 4789 1 832 . 1 1 75 75 LYS HE2 H 1 3.044 0.016 . 2 . . . . . . . . 4789 1 833 . 1 1 75 75 LYS C C 13 174.928 0.138 . 1 . . . . . . . . 4789 1 834 . 1 1 76 76 CYS N N 15 124.198 0.109 . 1 . . . . . . . . 4789 1 835 . 1 1 76 76 CYS H H 1 7.238 0.016 . 1 . . . . . . . . 4789 1 836 . 1 1 76 76 CYS CA C 13 57.722 0.138 . 1 . . . . . . . . 4789 1 837 . 1 1 76 76 CYS HA H 1 4.417 0.016 . 1 . . . . . . . . 4789 1 838 . 1 1 76 76 CYS CB C 13 30.715 0.138 . 1 . . . . . . . . 4789 1 839 . 1 1 76 76 CYS HB2 H 1 3.007 0.016 . 2 . . . . . . . . 4789 1 840 . 1 1 76 76 CYS HB3 H 1 2.905 0.016 . 2 . . . . . . . . 4789 1 841 . 1 1 77 77 PRO CA C 13 63.150 0.138 . 1 . . . . . . . . 4789 1 842 . 1 1 77 77 PRO HA H 1 4.736 0.016 . 1 . . . . . . . . 4789 1 843 . 1 1 77 77 PRO CB C 13 32.181 0.138 . 1 . . . . . . . . 4789 1 844 . 1 1 77 77 PRO HB2 H 1 2.120 0.016 . 2 . . . . . . . . 4789 1 845 . 1 1 77 77 PRO HB3 H 1 2.181 0.016 . 2 . . . . . . . . 4789 1 846 . 1 1 77 77 PRO CG C 13 26.939 0.138 . 1 . . . . . . . . 4789 1 847 . 1 1 77 77 PRO HG2 H 1 1.733 0.016 . 2 . . . . . . . . 4789 1 848 . 1 1 77 77 PRO CD C 13 51.412 0.138 . 1 . . . . . . . . 4789 1 849 . 1 1 77 77 PRO HD2 H 1 4.316 0.016 . 2 . . . . . . . . 4789 1 850 . 1 1 77 77 PRO HD3 H 1 3.903 0.016 . 2 . . . . . . . . 4789 1 851 . 1 1 77 77 PRO C C 13 176.492 0.138 . 1 . . . . . . . . 4789 1 852 . 1 1 78 78 VAL N N 15 128.504 0.109 . 1 . . . . . . . . 4789 1 853 . 1 1 78 78 VAL H H 1 8.981 0.016 . 1 . . . . . . . . 4789 1 854 . 1 1 78 78 VAL CA C 13 61.856 0.138 . 1 . . . . . . . . 4789 1 855 . 1 1 78 78 VAL HA H 1 4.405 0.016 . 1 . . . . . . . . 4789 1 856 . 1 1 78 78 VAL CB C 13 31.827 0.138 . 1 . . . . . . . . 4789 1 857 . 1 1 78 78 VAL HB H 1 2.265 0.016 . 1 . . . . . . . . 4789 1 858 . 1 1 78 78 VAL CG2 C 13 23.146 0.138 . 2 . . . . . . . . 4789 1 859 . 1 1 78 78 VAL HG21 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 860 . 1 1 78 78 VAL HG22 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 861 . 1 1 78 78 VAL HG23 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 862 . 1 1 78 78 VAL CG1 C 13 21.080 0.138 . 2 . . . . . . . . 4789 1 863 . 1 1 78 78 VAL HG11 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 864 . 1 1 78 78 VAL HG12 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 865 . 1 1 78 78 VAL HG13 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 866 . 1 1 79 79 PRO CA C 13 64.242 0.138 . 1 . . . . . . . . 4789 1 867 . 1 1 79 79 PRO HA H 1 4.040 0.016 . 1 . . . . . . . . 4789 1 868 . 1 1 79 79 PRO CB C 13 31.301 0.138 . 1 . . . . . . . . 4789 1 869 . 1 1 79 79 PRO HB2 H 1 1.866 0.016 . 2 . . . . . . . . 4789 1 870 . 1 1 79 79 PRO HB3 H 1 1.715 0.016 . 2 . . . . . . . . 4789 1 871 . 1 1 79 79 PRO CG C 13 28.232 0.138 . 1 . . . . . . . . 4789 1 872 . 1 1 79 79 PRO HG2 H 1 1.990 0.016 . 2 . . . . . . . . 4789 1 873 . 1 1 79 79 PRO HG3 H 1 1.951 0.016 . 2 . . . . . . . . 4789 1 874 . 1 1 79 79 PRO CD C 13 51.503 0.138 . 1 . . . . . . . . 4789 1 875 . 1 1 79 79 PRO HD2 H 1 4.237 0.016 . 2 . . . . . . . . 4789 1 876 . 1 1 79 79 PRO HD3 H 1 3.569 0.016 . 2 . . . . . . . . 4789 1 877 . 1 1 80 80 PHE N N 15 122.148 0.109 . 1 . . . . . . . . 4789 1 878 . 1 1 80 80 PHE H H 1 7.815 0.016 . 1 . . . . . . . . 4789 1 879 . 1 1 80 80 PHE CA C 13 59.811 0.138 . 1 . . . . . . . . 4789 1 880 . 1 1 80 80 PHE HA H 1 4.279 0.016 . 1 . . . . . . . . 4789 1 881 . 1 1 80 80 PHE CB C 13 37.445 0.138 . 1 . . . . . . . . 4789 1 882 . 1 1 80 80 PHE HB2 H 1 3.468 0.016 . 2 . . . . . . . . 4789 1 883 . 1 1 80 80 PHE HE2 H 1 7.375 0.016 . 1 . . . . . . . . 4789 1 884 . 1 1 80 80 PHE HE1 H 1 7.375 0.016 . 1 . . . . . . . . 4789 1 885 . 1 1 80 80 PHE C C 13 181.149 0.138 . 1 . . . . . . . . 4789 1 886 . 1 1 81 81 CYS N N 15 124.267 0.109 . 1 . . . . . . . . 4789 1 887 . 1 1 81 81 CYS H H 1 7.740 0.016 . 1 . . . . . . . . 4789 1 888 . 1 1 81 81 CYS CA C 13 63.993 0.138 . 1 . . . . . . . . 4789 1 889 . 1 1 81 81 CYS HA H 1 4.182 0.016 . 1 . . . . . . . . 4789 1 890 . 1 1 81 81 CYS CB C 13 29.712 0.138 . 1 . . . . . . . . 4789 1 891 . 1 1 81 81 CYS HB2 H 1 2.851 0.016 . 2 . . . . . . . . 4789 1 892 . 1 1 81 81 CYS HB3 H 1 3.263 0.016 . 2 . . . . . . . . 4789 1 893 . 1 1 81 81 CYS C C 13 176.758 0.138 . 1 . . . . . . . . 4789 1 894 . 1 1 82 82 LEU N N 15 117.718 0.109 . 1 . . . . . . . . 4789 1 895 . 1 1 82 82 LEU H H 1 8.076 0.016 . 1 . . . . . . . . 4789 1 896 . 1 1 82 82 LEU CA C 13 57.426 0.138 . 1 . . . . . . . . 4789 1 897 . 1 1 82 82 LEU HA H 1 4.196 0.016 . 1 . . . . . . . . 4789 1 898 . 1 1 82 82 LEU CB C 13 41.657 0.138 . 1 . . . . . . . . 4789 1 899 . 1 1 82 82 LEU HB2 H 1 1.809 0.016 . 2 . . . . . . . . 4789 1 900 . 1 1 82 82 LEU HB3 H 1 1.662 0.016 . 2 . . . . . . . . 4789 1 901 . 1 1 82 82 LEU CG C 13 27.259 0.138 . 1 . . . . . . . . 4789 1 902 . 1 1 82 82 LEU HG H 1 1.816 0.016 . 1 . . . . . . . . 4789 1 903 . 1 1 82 82 LEU C C 13 178.464 0.138 . 1 . . . . . . . . 4789 1 904 . 1 1 83 83 ASN N N 15 116.955 0.109 . 1 . . . . . . . . 4789 1 905 . 1 1 83 83 ASN H H 1 7.995 0.016 . 1 . . . . . . . . 4789 1 906 . 1 1 83 83 ASN CA C 13 55.392 0.138 . 1 . . . . . . . . 4789 1 907 . 1 1 83 83 ASN HA H 1 4.639 0.016 . 1 . . . . . . . . 4789 1 908 . 1 1 83 83 ASN CB C 13 38.975 0.138 . 1 . . . . . . . . 4789 1 909 . 1 1 83 83 ASN HB2 H 1 2.991 0.016 . 2 . . . . . . . . 4789 1 910 . 1 1 83 83 ASN ND2 N 15 112.186 0.109 . 1 . . . . . . . . 4789 1 911 . 1 1 83 83 ASN HD21 H 1 7.641 0.016 . 2 . . . . . . . . 4789 1 912 . 1 1 83 83 ASN HD22 H 1 6.878 0.016 . 2 . . . . . . . . 4789 1 913 . 1 1 83 83 ASN C C 13 176.696 0.138 . 1 . . . . . . . . 4789 1 914 . 1 1 84 84 ILE N N 15 120.345 0.109 . 1 . . . . . . . . 4789 1 915 . 1 1 84 84 ILE H H 1 8.226 0.016 . 1 . . . . . . . . 4789 1 916 . 1 1 84 84 ILE CA C 13 63.155 0.138 . 1 . . . . . . . . 4789 1 917 . 1 1 84 84 ILE HA H 1 4.013 0.016 . 1 . . . . . . . . 4789 1 918 . 1 1 84 84 ILE CB C 13 38.681 0.138 . 1 . . . . . . . . 4789 1 919 . 1 1 84 84 ILE CG1 C 13 28.324 0.138 . 2 . . . . . . . . 4789 1 920 . 1 1 84 84 ILE HG12 H 1 1.767 0.016 . 1 . . . . . . . . 4789 1 921 . 1 1 84 84 ILE HG13 H 1 1.767 0.016 . 1 . . . . . . . . 4789 1 922 . 1 1 84 84 ILE CD1 C 13 14.291 0.138 . 1 . . . . . . . . 4789 1 923 . 1 1 84 84 ILE HD11 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 924 . 1 1 84 84 ILE HD12 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 925 . 1 1 84 84 ILE HD13 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 926 . 1 1 84 84 ILE CG2 C 13 18.112 0.138 . 2 . . . . . . . . 4789 1 927 . 1 1 84 84 ILE HG21 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 928 . 1 1 84 84 ILE HG22 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 929 . 1 1 84 84 ILE HG23 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 930 . 1 1 84 84 ILE C C 13 177.300 0.138 . 1 . . . . . . . . 4789 1 931 . 1 1 85 85 LYS N N 15 120.851 0.109 . 1 . . . . . . . . 4789 1 932 . 1 1 85 85 LYS H H 1 8.234 0.016 . 1 . . . . . . . . 4789 1 933 . 1 1 85 85 LYS CA C 13 57.898 0.138 . 1 . . . . . . . . 4789 1 934 . 1 1 85 85 LYS HA H 1 4.224 0.016 . 1 . . . . . . . . 4789 1 935 . 1 1 85 85 LYS CB C 13 33.589 0.138 . 1 . . . . . . . . 4789 1 936 . 1 1 85 85 LYS HB2 H 1 1.936 0.016 . 2 . . . . . . . . 4789 1 937 . 1 1 85 85 LYS HB3 H 1 1.824 0.016 . 2 . . . . . . . . 4789 1 938 . 1 1 85 85 LYS CG C 13 24.879 0.138 . 1 . . . . . . . . 4789 1 939 . 1 1 85 85 LYS HG2 H 1 1.502 0.016 . 2 . . . . . . . . 4789 1 940 . 1 1 85 85 LYS CD C 13 29.782 0.138 . 1 . . . . . . . . 4789 1 941 . 1 1 85 85 LYS HD2 H 1 1.803 0.016 . 2 . . . . . . . . 4789 1 942 . 1 1 85 85 LYS CE C 13 42.011 0.138 . 1 . . . . . . . . 4789 1 943 . 1 1 85 85 LYS HE2 H 1 3.088 0.016 . 2 . . . . . . . . 4789 1 944 . 1 1 85 85 LYS C C 13 176.610 0.138 . 1 . . . . . . . . 4789 1 945 . 1 1 86 86 HIS N N 15 118.241 0.109 . 1 . . . . . . . . 4789 1 946 . 1 1 86 86 HIS H H 1 8.005 0.016 . 1 . . . . . . . . 4789 1 947 . 1 1 86 86 HIS CA C 13 55.737 0.138 . 1 . . . . . . . . 4789 1 948 . 1 1 86 86 HIS HA H 1 4.719 0.016 . 1 . . . . . . . . 4789 1 949 . 1 1 86 86 HIS CB C 13 29.069 0.138 . 1 . . . . . . . . 4789 1 950 . 1 1 86 86 HIS HB2 H 1 3.404 0.016 . 2 . . . . . . . . 4789 1 951 . 1 1 86 86 HIS HB3 H 1 3.317 0.016 . 2 . . . . . . . . 4789 1 952 . 1 1 86 86 HIS CD2 C 13 120.289 0.138 . 1 . . . . . . . . 4789 1 953 . 1 1 86 86 HIS HD2 H 1 7.310 0.016 . 2 . . . . . . . . 4789 1 954 . 1 1 86 86 HIS NE2 N 15 167.311 0.109 . 1 . . . . . . . . 4789 1 955 . 1 1 86 86 HIS CE1 C 13 136.849 0.138 . 1 . . . . . . . . 4789 1 956 . 1 1 86 86 HIS HE1 H 1 8.479 0.016 . 1 . . . . . . . . 4789 1 957 . 1 1 86 86 HIS ND1 N 15 175.560 0.109 . 1 . . . . . . . . 4789 1 958 . 1 1 86 86 HIS C C 13 173.730 0.138 . 1 . . . . . . . . 4789 1 959 . 1 1 87 87 LYS N N 15 127.601 0.109 . 1 . . . . . . . . 4789 1 960 . 1 1 87 87 LYS H H 1 7.976 0.016 . 1 . . . . . . . . 4789 1 961 . 1 1 87 87 LYS CA C 13 57.908 0.138 . 1 . . . . . . . . 4789 1 962 . 1 1 87 87 LYS HA H 1 4.224 0.016 . 1 . . . . . . . . 4789 1 963 . 1 1 87 87 LYS CB C 13 33.587 0.138 . 1 . . . . . . . . 4789 1 964 . 1 1 87 87 LYS HB2 H 1 1.936 0.016 . 2 . . . . . . . . 4789 1 965 . 1 1 87 87 LYS HB3 H 1 1.824 0.016 . 2 . . . . . . . . 4789 1 966 . 1 1 87 87 LYS CG C 13 24.904 0.138 . 1 . . . . . . . . 4789 1 967 . 1 1 87 87 LYS HG2 H 1 1.507 0.016 . 2 . . . . . . . . 4789 1 968 . 1 1 87 87 LYS CD C 13 29.857 0.138 . 1 . . . . . . . . 4789 1 969 . 1 1 87 87 LYS HD2 H 1 1.816 0.016 . 2 . . . . . . . . 4789 1 970 . 1 1 87 87 LYS CE C 13 42.032 0.138 . 1 . . . . . . . . 4789 1 971 . 1 1 87 87 LYS HE2 H 1 3.085 0.016 . 2 . . . . . . . . 4789 1 stop_ save_