data_5792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5792 _Entry.Title ; Assignment of the 1H, 15N and 13C resonances of E. coli frataxin orthologue, CyaY ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-05-06 _Entry.Accession_date 2003-05-06 _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 Margie Nair . . . 5792 2 Salvatore Adinolfi . . . 5792 3 Geoff Kelly . . . 5792 4 Thomas Frenkiel . . . 5792 5 Annalisa Pastore . . . 5792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 5792 '15N chemical shifts' 116 5792 '1H chemical shifts' 691 5792 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 . . 2004-06-24 . update author 'corrections of shifts' 5792 2 . . 2003-10-16 . original author 'original release' 5792 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5792 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22874492 _Citation.DOI . _Citation.PubMed_ID 14512742 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment of the 1H, 15N and 13C resonances of E. coli frataxin orthologue, CyaY ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 403 _Citation.Page_last 404 _Citation.Year 2003 _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 Margie Nair . . . 5792 1 2 Salvatore Adinolfi . . . 5792 1 3 Geoff Kelly . . . 5792 1 4 Thomas Frenkiel . A. . 5792 1 5 Annalisa Pastore . . . 5792 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Friedrich ataxia' 5792 1 frataxin 5792 1 CyaY 5792 1 'Escherichia coli' 5792 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5792 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; THE PROGRAM XEASY FOR COMPUTER-SUPPORTED NMR SPECTRAL-ANALYSIS OF BIOLOGICAL MACROMOLECULES Bartels C, XIA TH, BILLETER M, GUNTERT P, WUTHRICH K Journal OF BIOMOLECULAR NMR 6 (1): 1-10 JUL 1995. ; _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 5792 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; NMRPipe: a multidimensional spectral processing system based on UNIX pipes. Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. J Biomol NMR 1995 Nov;6(3):277-93. ; _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. . . 5792 3 2 S. Grzesiek S. . . 5792 3 3 'G. W.' Vuister G. W. . 5792 3 4 G. Zhu G. . . 5792 3 5 J. Pfeifer J. . . 5792 3 6 A. Bax A. . . 5792 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CyaY _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CyaY _Assembly.Entry_ID 5792 _Assembly.ID 1 _Assembly.Name CyaY _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 'all free' _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 5792 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 'CyaY monomer' 1 $CyaY_monomer . . . native . . . . . 5792 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 . PDB 1EW4 . . . . . 'Crystal structure of the CyaY protein' 5792 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CyaY system 5792 1 CyaY abbreviation 5792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CyaY_monomer _Entity.Sf_category entity _Entity.Sf_framecode CyaY_monomer _Entity.Entry_ID 5792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Escherichia coli CyaY' _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 ; GAMGNDSEFHRLADQLWLTI EERLDDWDGDSDIDCEINGG VLTITFENGSKIIINRQEPL HQVWLATKQGGYHFDLKGDE WICDRSGETFWDLLEQAATQ QAGETVSFR ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12415 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15237 . CyaYD31K . . . . . 100.00 108 98.17 98.17 2.11e-69 . . . . 5792 1 2 no BMRB 15244 . CyaYE19K,D22K . . . . . 100.00 108 97.25 98.17 5.82e-69 . . . . 5792 1 3 no PDB 1EW4 . "Crystal Structure Of Escherichia Coli Cyay Protein Reveals A Novel Fold For The Frataxin Family" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 4 no PDB 1SOY . "Solution Structure Of The Bacterial Frataxin Orthologue, Cyay" . . . . . 100.00 108 99.08 99.08 4.95e-70 . . . . 5792 1 5 no PDB 2EFF . "Crystal Structure Analysis Of The Complex Between Cyay And Co(Ii)" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 6 no PDB 2P1X . "Crystal Structure Analysis Of The Complex Between Cyay And Eu(Iii)" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 7 no DBJ BAB38160 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 8 no DBJ BAE77494 . "frataxin, iron-binding and oxidizing protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 9 no DBJ BAG79612 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 10 no DBJ BAI27941 . "frataxin, iron-binding and oxidizing protein CyaY [Escherichia coli O26:H11 str. 11368]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 11 no DBJ BAI33064 . "frataxin, iron-binding and oxidizing protein CyaY [Escherichia coli O103:H2 str. 12009]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 12 no EMBL CAA47281 . "cyaY [Escherichia coli K-12]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 13 no EMBL CAP78250 . "Protein cyaY [Escherichia coli LF82]" . . . . . 96.33 106 99.05 99.05 1.49e-68 . . . . 5792 1 14 no EMBL CAQ34148 . "frataxin, iron-binding and oxidizing protein [Escherichia coli BL21(DE3)]" . . . . . 96.33 106 99.05 100.00 3.00e-69 . . . . 5792 1 15 no EMBL CAQ91159 . "frataxin, iron-binding and oxidizing protein [Escherichia fergusonii ATCC 35469]" . . . . . 96.33 106 99.05 99.05 1.32e-68 . . . . 5792 1 16 no EMBL CAR00776 . "frataxin, iron-binding and oxidizing protein [Escherichia coli IAI1]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 17 no GB AAA67603 . "f106 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 18 no GB AAC76810 . "iron-dependent inhibitor of iron-sulfur cluster formation; frataxin; iron-binding and oxidizing protein [Escherichia coli str. " . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 19 no GB AAG58999 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 20 no GB AAN45316 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 21 no GB AAN83159 . "CyaY protein [Escherichia coli CFT073]" . . . . . 96.33 106 98.10 98.10 1.68e-67 . . . . 5792 1 22 no REF NP_290435 . "frataxin-like protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 23 no REF NP_312764 . "frataxin-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 24 no REF NP_418251 . "iron-dependent inhibitor of iron-sulfur cluster formation; frataxin; iron-binding and oxidizing protein [Escherichia coli str. " . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 25 no REF NP_709609 . "frataxin-like protein [Shigella flexneri 2a str. 301]" . . . . . 96.33 106 99.05 99.05 4.54e-68 . . . . 5792 1 26 no REF NP_756585 . "frataxin-like protein [Escherichia coli CFT073]" . . . . . 96.33 106 98.10 98.10 1.68e-67 . . . . 5792 1 27 no SP A1AHX3 . "RecName: Full=Protein CyaY [Escherichia coli APEC O1]" . . . . . 96.33 106 99.05 99.05 1.49e-68 . . . . 5792 1 28 no SP A7ZU09 . "RecName: Full=Protein CyaY [Escherichia coli E24377A]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 29 no SP A8A6R1 . "RecName: Full=Protein CyaY [Escherichia coli HS]" . . . . . 96.33 106 99.05 99.05 1.92e-68 . . . . 5792 1 30 no SP B1IW97 . "RecName: Full=Protein CyaY [Escherichia coli ATCC 8739]" . . . . . 96.33 106 100.00 100.00 1.90e-69 . . . . 5792 1 31 no SP B1LLX7 . "RecName: Full=Protein CyaY [Escherichia coli SMS-3-5]" . . . . . 96.33 106 99.05 100.00 3.00e-69 . . . . 5792 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Escherichia coli CyaY' common 5792 1 CyaY abbreviation 5792 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 -3 GLY . 5792 1 2 -2 ALA . 5792 1 3 1 MET . 5792 1 4 -1 GLY . 5792 1 5 2 ASN . 5792 1 6 3 ASP . 5792 1 7 4 SER . 5792 1 8 5 GLU . 5792 1 9 6 PHE . 5792 1 10 7 HIS . 5792 1 11 8 ARG . 5792 1 12 9 LEU . 5792 1 13 10 ALA . 5792 1 14 11 ASP . 5792 1 15 12 GLN . 5792 1 16 13 LEU . 5792 1 17 14 TRP . 5792 1 18 15 LEU . 5792 1 19 16 THR . 5792 1 20 17 ILE . 5792 1 21 18 GLU . 5792 1 22 19 GLU . 5792 1 23 20 ARG . 5792 1 24 21 LEU . 5792 1 25 22 ASP . 5792 1 26 23 ASP . 5792 1 27 24 TRP . 5792 1 28 25 ASP . 5792 1 29 26 GLY . 5792 1 30 27 ASP . 5792 1 31 28 SER . 5792 1 32 29 ASP . 5792 1 33 30 ILE . 5792 1 34 31 ASP . 5792 1 35 32 CYS . 5792 1 36 33 GLU . 5792 1 37 34 ILE . 5792 1 38 35 ASN . 5792 1 39 36 GLY . 5792 1 40 37 GLY . 5792 1 41 38 VAL . 5792 1 42 39 LEU . 5792 1 43 40 THR . 5792 1 44 41 ILE . 5792 1 45 42 THR . 5792 1 46 43 PHE . 5792 1 47 44 GLU . 5792 1 48 45 ASN . 5792 1 49 46 GLY . 5792 1 50 47 SER . 5792 1 51 48 LYS . 5792 1 52 49 ILE . 5792 1 53 50 ILE . 5792 1 54 51 ILE . 5792 1 55 52 ASN . 5792 1 56 53 ARG . 5792 1 57 54 GLN . 5792 1 58 55 GLU . 5792 1 59 56 PRO . 5792 1 60 57 LEU . 5792 1 61 58 HIS . 5792 1 62 59 GLN . 5792 1 63 60 VAL . 5792 1 64 61 TRP . 5792 1 65 62 LEU . 5792 1 66 63 ALA . 5792 1 67 64 THR . 5792 1 68 65 LYS . 5792 1 69 66 GLN . 5792 1 70 67 GLY . 5792 1 71 68 GLY . 5792 1 72 69 TYR . 5792 1 73 70 HIS . 5792 1 74 71 PHE . 5792 1 75 72 ASP . 5792 1 76 73 LEU . 5792 1 77 74 LYS . 5792 1 78 75 GLY . 5792 1 79 76 ASP . 5792 1 80 77 GLU . 5792 1 81 78 TRP . 5792 1 82 79 ILE . 5792 1 83 80 CYS . 5792 1 84 81 ASP . 5792 1 85 82 ARG . 5792 1 86 83 SER . 5792 1 87 84 GLY . 5792 1 88 85 GLU . 5792 1 89 86 THR . 5792 1 90 87 PHE . 5792 1 91 88 TRP . 5792 1 92 89 ASP . 5792 1 93 90 LEU . 5792 1 94 91 LEU . 5792 1 95 92 GLU . 5792 1 96 93 GLN . 5792 1 97 94 ALA . 5792 1 98 95 ALA . 5792 1 99 96 THR . 5792 1 100 97 GLN . 5792 1 101 98 GLN . 5792 1 102 99 ALA . 5792 1 103 100 GLY . 5792 1 104 101 GLU . 5792 1 105 102 THR . 5792 1 106 103 VAL . 5792 1 107 104 SER . 5792 1 108 105 PHE . 5792 1 109 106 ARG . 5792 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5792 1 . ALA 2 2 5792 1 . MET 3 3 5792 1 . GLY 4 4 5792 1 . ASN 5 5 5792 1 . ASP 6 6 5792 1 . SER 7 7 5792 1 . GLU 8 8 5792 1 . PHE 9 9 5792 1 . HIS 10 10 5792 1 . ARG 11 11 5792 1 . LEU 12 12 5792 1 . ALA 13 13 5792 1 . ASP 14 14 5792 1 . GLN 15 15 5792 1 . LEU 16 16 5792 1 . TRP 17 17 5792 1 . LEU 18 18 5792 1 . THR 19 19 5792 1 . ILE 20 20 5792 1 . GLU 21 21 5792 1 . GLU 22 22 5792 1 . ARG 23 23 5792 1 . LEU 24 24 5792 1 . ASP 25 25 5792 1 . ASP 26 26 5792 1 . TRP 27 27 5792 1 . ASP 28 28 5792 1 . GLY 29 29 5792 1 . ASP 30 30 5792 1 . SER 31 31 5792 1 . ASP 32 32 5792 1 . ILE 33 33 5792 1 . ASP 34 34 5792 1 . CYS 35 35 5792 1 . GLU 36 36 5792 1 . ILE 37 37 5792 1 . ASN 38 38 5792 1 . GLY 39 39 5792 1 . GLY 40 40 5792 1 . VAL 41 41 5792 1 . LEU 42 42 5792 1 . THR 43 43 5792 1 . ILE 44 44 5792 1 . THR 45 45 5792 1 . PHE 46 46 5792 1 . GLU 47 47 5792 1 . ASN 48 48 5792 1 . GLY 49 49 5792 1 . SER 50 50 5792 1 . LYS 51 51 5792 1 . ILE 52 52 5792 1 . ILE 53 53 5792 1 . ILE 54 54 5792 1 . ASN 55 55 5792 1 . ARG 56 56 5792 1 . GLN 57 57 5792 1 . GLU 58 58 5792 1 . PRO 59 59 5792 1 . LEU 60 60 5792 1 . HIS 61 61 5792 1 . GLN 62 62 5792 1 . VAL 63 63 5792 1 . TRP 64 64 5792 1 . LEU 65 65 5792 1 . ALA 66 66 5792 1 . THR 67 67 5792 1 . LYS 68 68 5792 1 . GLN 69 69 5792 1 . GLY 70 70 5792 1 . GLY 71 71 5792 1 . TYR 72 72 5792 1 . HIS 73 73 5792 1 . PHE 74 74 5792 1 . ASP 75 75 5792 1 . LEU 76 76 5792 1 . LYS 77 77 5792 1 . GLY 78 78 5792 1 . ASP 79 79 5792 1 . GLU 80 80 5792 1 . TRP 81 81 5792 1 . ILE 82 82 5792 1 . CYS 83 83 5792 1 . ASP 84 84 5792 1 . ARG 85 85 5792 1 . SER 86 86 5792 1 . GLY 87 87 5792 1 . GLU 88 88 5792 1 . THR 89 89 5792 1 . PHE 90 90 5792 1 . TRP 91 91 5792 1 . ASP 92 92 5792 1 . LEU 93 93 5792 1 . LEU 94 94 5792 1 . GLU 95 95 5792 1 . GLN 96 96 5792 1 . ALA 97 97 5792 1 . ALA 98 98 5792 1 . THR 99 99 5792 1 . GLN 100 100 5792 1 . GLN 101 101 5792 1 . ALA 102 102 5792 1 . GLY 103 103 5792 1 . GLU 104 104 5792 1 . THR 105 105 5792 1 . VAL 106 106 5792 1 . SER 107 107 5792 1 . PHE 108 108 5792 1 . ARG 109 109 5792 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5792 _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 $CyaY_monomer . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5792 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 5792 _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 $CyaY_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 5792 _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 'Escherichia coli CyaY' [U-15N] . . 1 $CyaY_monomer . . . 1 2 mM . . . . 5792 1 stop_ save_ save_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_sample _Sample.Entry_ID 5792 _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 'Escherichia coli CyaY' '[U-13C; U-15N]' . . 1 $CyaY_monomer . . . 1 2 mM . . . . 5792 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_set-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_set-1 _Sample_condition_list.Entry_ID 5792 _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* 7 0.2 n/a 5792 1 temperature 298 1 K 5792 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5792 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5792 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5792 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5792 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5792 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 5792 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5792 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5792 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 5792 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5792 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityPlus . 500 . . . 5792 1 2 spectrometer_2 Varian Unity . 600 . . . 5792 1 3 spectrometer_3 Varian Inova . 600 . . . 5792 1 4 spectrometer_4 Varian Inova . 800 . . . 5792 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 5792 _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 '1H-1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 2 '1H-1H-13C TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 3 '3D HNHA' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 4 '3D HNHB' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 5 '3D HNCA' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 6 '3D HN(CO)CA' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 7 '3D HNC0' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 8 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 9 '1H-1H-13C HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 10 '1H-1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 11 HCC(CO)NH . . . . . . . . . . . . . . . . 1 $condition_set-1 . . . . . . . . . . . . . . . . . . . . . 5792 1 stop_ 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 5792 _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 1.000000000 . . . . . . . . . 5792 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5792 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5792 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_CSR1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CSR1 _Assigned_chem_shift_list.Entry_ID 5792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_set-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 $15N_sample . 5792 1 . . 2 $13C_sample . 5792 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA CA C 13 53.0 0.05 . 1 . . . . . . . . 5792 1 2 . 1 1 2 2 ALA CB C 13 19.4 0.05 . 1 . . . . . . . . 5792 1 3 . 1 1 2 2 ALA C C 13 178.0 0.05 . 1 . . . . . . . . 5792 1 4 . 1 1 3 3 MET N N 15 119.3 0.05 . 1 . . . . . . . . 5792 1 5 . 1 1 3 3 MET H H 1 8.65 0.02 . 1 . . . . . . . . 5792 1 6 . 1 1 3 3 MET CA C 13 55.7 0.05 . 1 . . . . . . . . 5792 1 7 . 1 1 3 3 MET CB C 13 32.6 0.05 . 1 . . . . . . . . 5792 1 8 . 1 1 3 3 MET CG C 13 31.1 0.05 . 1 . . . . . . . . 5792 1 9 . 1 1 3 3 MET C C 13 176.8 0.05 . 1 . . . . . . . . 5792 1 10 . 1 1 4 4 GLY N N 15 109.5 0.05 . 1 . . . . . . . . 5792 1 11 . 1 1 4 4 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5792 1 12 . 1 1 4 4 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 5792 1 13 . 1 1 4 4 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5792 1 14 . 1 1 4 4 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5792 1 15 . 1 1 6 6 ASP CA C 13 56.2 0.05 . 1 . . . . . . . . 5792 1 16 . 1 1 6 6 ASP CB C 13 40.9 0.05 . 1 . . . . . . . . 5792 1 17 . 1 1 6 6 ASP C C 13 176.6 0.05 . 1 . . . . . . . . 5792 1 18 . 1 1 7 7 SER N N 15 115.6 0.05 . 1 . . . . . . . . 5792 1 19 . 1 1 7 7 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5792 1 20 . 1 1 7 7 SER CA C 13 60.5 0.05 . 1 . . . . . . . . 5792 1 21 . 1 1 7 7 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5792 1 22 . 1 1 7 7 SER CB C 13 63.2 0.05 . 1 . . . . . . . . 5792 1 23 . 1 1 7 7 SER HB2 H 1 4.01 0.02 . 1 . . . . . . . . 5792 1 24 . 1 1 7 7 SER HB3 H 1 4.01 0.02 . 1 . . . . . . . . 5792 1 25 . 1 1 7 7 SER C C 13 176.5 0.05 . 1 . . . . . . . . 5792 1 26 . 1 1 8 8 GLU N N 15 124.2 0.05 . 1 . . . . . . . . 5792 1 27 . 1 1 8 8 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 5792 1 28 . 1 1 8 8 GLU CA C 13 58.7 0.05 . 1 . . . . . . . . 5792 1 29 . 1 1 8 8 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5792 1 30 . 1 1 8 8 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5792 1 31 . 1 1 8 8 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5792 1 32 . 1 1 8 8 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5792 1 33 . 1 1 8 8 GLU CG C 13 36.0 0.05 . 1 . . . . . . . . 5792 1 34 . 1 1 8 8 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5792 1 35 . 1 1 8 8 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5792 1 36 . 1 1 8 8 GLU C C 13 177.4 0.05 . 1 . . . . . . . . 5792 1 37 . 1 1 9 9 PHE N N 15 119.2 0.05 . 1 . . . . . . . . 5792 1 38 . 1 1 9 9 PHE H H 1 7.86 0.02 . 1 . . . . . . . . 5792 1 39 . 1 1 9 9 PHE CA C 13 61.1 0.05 . 1 . . . . . . . . 5792 1 40 . 1 1 9 9 PHE HA H 1 4.19 0.02 . 1 . . . . . . . . 5792 1 41 . 1 1 9 9 PHE CB C 13 38.5 0.05 . 1 . . . . . . . . 5792 1 42 . 1 1 9 9 PHE HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5792 1 43 . 1 1 9 9 PHE HB3 H 1 2.69 0.02 . 1 . . . . . . . . 5792 1 44 . 1 1 9 9 PHE HD1 H 1 6.78 0.02 . 1 . . . . . . . . 5792 1 45 . 1 1 9 9 PHE HD2 H 1 6.78 0.02 . 1 . . . . . . . . 5792 1 46 . 1 1 9 9 PHE HE1 H 1 6.82 0.02 . 1 . . . . . . . . 5792 1 47 . 1 1 9 9 PHE HE2 H 1 6.82 0.02 . 1 . . . . . . . . 5792 1 48 . 1 1 9 9 PHE CD1 C 13 128.2 0.05 . 1 . . . . . . . . 5792 1 49 . 1 1 9 9 PHE CE1 C 13 130.8 0.05 . 1 . . . . . . . . 5792 1 50 . 1 1 9 9 PHE CZ C 13 132.9 0.05 . 1 . . . . . . . . 5792 1 51 . 1 1 9 9 PHE HZ H 1 7.28 0.02 . 1 . . . . . . . . 5792 1 52 . 1 1 9 9 PHE C C 13 176.0 0.05 . 1 . . . . . . . . 5792 1 53 . 1 1 10 10 HIS N N 15 116.6 0.05 . 1 . . . . . . . . 5792 1 54 . 1 1 10 10 HIS H H 1 7.91 0.02 . 1 . . . . . . . . 5792 1 55 . 1 1 10 10 HIS CA C 13 60.1 0.05 . 1 . . . . . . . . 5792 1 56 . 1 1 10 10 HIS HA H 1 3.66 0.02 . 1 . . . . . . . . 5792 1 57 . 1 1 10 10 HIS CB C 13 30.2 0.05 . 1 . . . . . . . . 5792 1 58 . 1 1 10 10 HIS HB2 H 1 2.94 0.02 . 1 . . . . . . . . 5792 1 59 . 1 1 10 10 HIS HB3 H 1 2.94 0.02 . 1 . . . . . . . . 5792 1 60 . 1 1 10 10 HIS CD2 C 13 118.6 0.05 . 1 . . . . . . . . 5792 1 61 . 1 1 10 10 HIS CE1 C 13 138.1 0.05 . 1 . . . . . . . . 5792 1 62 . 1 1 10 10 HIS HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5792 1 63 . 1 1 10 10 HIS HE1 H 1 7.71 0.02 . 1 . . . . . . . . 5792 1 64 . 1 1 10 10 HIS C C 13 177.4 0.05 . 1 . . . . . . . . 5792 1 65 . 1 1 11 11 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 5792 1 66 . 1 1 11 11 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 5792 1 67 . 1 1 11 11 ARG CA C 13 59.6 0.05 . 1 . . . . . . . . 5792 1 68 . 1 1 11 11 ARG HA H 1 3.97 0.02 . 1 . . . . . . . . 5792 1 69 . 1 1 11 11 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 5792 1 70 . 1 1 11 11 ARG HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5792 1 71 . 1 1 11 11 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5792 1 72 . 1 1 11 11 ARG CG C 13 27.4 0.05 . 1 . . . . . . . . 5792 1 73 . 1 1 11 11 ARG HG2 H 1 1.51 0.02 . 1 . . . . . . . . 5792 1 74 . 1 1 11 11 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 5792 1 75 . 1 1 11 11 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . 5792 1 76 . 1 1 11 11 ARG HD2 H 1 3.30 0.02 . 1 . . . . . . . . 5792 1 77 . 1 1 11 11 ARG HD3 H 1 3.30 0.02 . 1 . . . . . . . . 5792 1 78 . 1 1 11 11 ARG C C 13 179.8 0.05 . 1 . . . . . . . . 5792 1 79 . 1 1 12 12 LEU N N 15 120.3 0.05 . 1 . . . . . . . . 5792 1 80 . 1 1 12 12 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 5792 1 81 . 1 1 12 12 LEU CA C 13 57.7 0.05 . 1 . . . . . . . . 5792 1 82 . 1 1 12 12 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 5792 1 83 . 1 1 12 12 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . 5792 1 84 . 1 1 12 12 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5792 1 85 . 1 1 12 12 LEU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5792 1 86 . 1 1 12 12 LEU CG C 13 25.2 0.05 . 1 . . . . . . . . 5792 1 87 . 1 1 12 12 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 88 . 1 1 12 12 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 5792 1 89 . 1 1 12 12 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 5792 1 90 . 1 1 12 12 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 5792 1 91 . 1 1 12 12 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 5792 1 92 . 1 1 12 12 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 5792 1 93 . 1 1 12 12 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 5792 1 94 . 1 1 12 12 LEU CD1 C 13 22.1 0.05 . 1 . . . . . . . . 5792 1 95 . 1 1 12 12 LEU CD2 C 13 22.3 0.05 . 1 . . . . . . . . 5792 1 96 . 1 1 12 12 LEU C C 13 180.9 0.05 . 1 . . . . . . . . 5792 1 97 . 1 1 13 13 ALA N N 15 125.0 0.05 . 1 . . . . . . . . 5792 1 98 . 1 1 13 13 ALA H H 1 8.73 0.02 . 1 . . . . . . . . 5792 1 99 . 1 1 13 13 ALA CA C 13 55.2 0.05 . 1 . . . . . . . . 5792 1 100 . 1 1 13 13 ALA HA H 1 3.62 0.02 . 1 . . . . . . . . 5792 1 101 . 1 1 13 13 ALA HB1 H 1 0.30 0.02 . 1 . . . . . . . . 5792 1 102 . 1 1 13 13 ALA HB2 H 1 0.30 0.02 . 1 . . . . . . . . 5792 1 103 . 1 1 13 13 ALA HB3 H 1 0.30 0.02 . 1 . . . . . . . . 5792 1 104 . 1 1 13 13 ALA CB C 13 14.7 0.05 . 1 . . . . . . . . 5792 1 105 . 1 1 13 13 ALA C C 13 179.0 0.05 . 1 . . . . . . . . 5792 1 106 . 1 1 14 14 ASP N N 15 119.2 0.05 . 1 . . . . . . . . 5792 1 107 . 1 1 14 14 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5792 1 108 . 1 1 14 14 ASP CA C 13 57.7 0.05 . 1 . . . . . . . . 5792 1 109 . 1 1 14 14 ASP HA H 1 3.99 0.02 . 1 . . . . . . . . 5792 1 110 . 1 1 14 14 ASP CB C 13 39.4 0.05 . 1 . . . . . . . . 5792 1 111 . 1 1 14 14 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5792 1 112 . 1 1 14 14 ASP HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5792 1 113 . 1 1 14 14 ASP C C 13 178.7 0.05 . 1 . . . . . . . . 5792 1 114 . 1 1 15 15 GLN N N 15 118.6 0.05 . 1 . . . . . . . . 5792 1 115 . 1 1 15 15 GLN H H 1 7.45 0.02 . 1 . . . . . . . . 5792 1 116 . 1 1 15 15 GLN CA C 13 58.9 0.05 . 1 . . . . . . . . 5792 1 117 . 1 1 15 15 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 5792 1 118 . 1 1 15 15 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 5792 1 119 . 1 1 15 15 GLN HB2 H 1 2.30 0.02 . 1 . . . . . . . . 5792 1 120 . 1 1 15 15 GLN HB3 H 1 2.30 0.02 . 1 . . . . . . . . 5792 1 121 . 1 1 15 15 GLN CG C 13 33.9 0.05 . 1 . . . . . . . . 5792 1 122 . 1 1 15 15 GLN HG2 H 1 2.62 0.02 . 2 . . . . . . . . 5792 1 123 . 1 1 15 15 GLN HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5792 1 124 . 1 1 15 15 GLN NE2 N 15 111.8 0.05 . 1 . . . . . . . . 5792 1 125 . 1 1 15 15 GLN HE21 H 1 7.48 0.02 . 2 . . . . . . . . 5792 1 126 . 1 1 15 15 GLN HE22 H 1 6.89 0.02 . 2 . . . . . . . . 5792 1 127 . 1 1 15 15 GLN C C 13 178.7 0.05 . 1 . . . . . . . . 5792 1 128 . 1 1 16 16 LEU N N 15 121.2 0.05 . 1 . . . . . . . . 5792 1 129 . 1 1 16 16 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5792 1 130 . 1 1 16 16 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 5792 1 131 . 1 1 16 16 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . 5792 1 132 . 1 1 16 16 LEU HB2 H 1 1.30 0.02 . 2 . . . . . . . . 5792 1 133 . 1 1 16 16 LEU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5792 1 134 . 1 1 16 16 LEU CG C 13 26.7 0.05 . 1 . . . . . . . . 5792 1 135 . 1 1 16 16 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5792 1 136 . 1 1 16 16 LEU HD11 H 1 -0.15 0.02 . 2 . . . . . . . . 5792 1 137 . 1 1 16 16 LEU HD12 H 1 -0.15 0.02 . 2 . . . . . . . . 5792 1 138 . 1 1 16 16 LEU HD13 H 1 -0.15 0.02 . 2 . . . . . . . . 5792 1 139 . 1 1 16 16 LEU HD21 H 1 -0.66 0.02 . 2 . . . . . . . . 5792 1 140 . 1 1 16 16 LEU HD22 H 1 -0.66 0.02 . 2 . . . . . . . . 5792 1 141 . 1 1 16 16 LEU HD23 H 1 -0.66 0.02 . 2 . . . . . . . . 5792 1 142 . 1 1 16 16 LEU CD1 C 13 22.2 0.05 . 1 . . . . . . . . 5792 1 143 . 1 1 16 16 LEU CD2 C 13 22.4 0.05 . 1 . . . . . . . . 5792 1 144 . 1 1 16 16 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 5792 1 145 . 1 1 17 17 TRP N N 15 121.9 0.05 . 1 . . . . . . . . 5792 1 146 . 1 1 17 17 TRP H H 1 8.38 0.02 . 1 . . . . . . . . 5792 1 147 . 1 1 17 17 TRP CA C 13 60.2 0.05 . 1 . . . . . . . . 5792 1 148 . 1 1 17 17 TRP HA H 1 3.89 0.02 . 1 . . . . . . . . 5792 1 149 . 1 1 17 17 TRP CB C 13 31.7 0.05 . 1 . . . . . . . . 5792 1 150 . 1 1 17 17 TRP HB2 H 1 3.33 0.02 . 1 . . . . . . . . 5792 1 151 . 1 1 17 17 TRP HB3 H 1 3.33 0.02 . 1 . . . . . . . . 5792 1 152 . 1 1 17 17 TRP CD1 C 13 127.5 0.05 . 1 . . . . . . . . 5792 1 153 . 1 1 17 17 TRP CE3 C 13 120.5 0.05 . 1 . . . . . . . . 5792 1 154 . 1 1 17 17 TRP NE1 N 15 126.3 0.05 . 1 . . . . . . . . 5792 1 155 . 1 1 17 17 TRP HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5792 1 156 . 1 1 17 17 TRP HE3 H 1 7.63 0.02 . 1 . . . . . . . . 5792 1 157 . 1 1 17 17 TRP CZ3 C 13 121.3 0.05 . 1 . . . . . . . . 5792 1 158 . 1 1 17 17 TRP CZ2 C 13 115.0 0.05 . 1 . . . . . . . . 5792 1 159 . 1 1 17 17 TRP HE1 H 1 9.32 0.02 . 1 . . . . . . . . 5792 1 160 . 1 1 17 17 TRP HZ3 H 1 7.45 0.02 . 1 . . . . . . . . 5792 1 161 . 1 1 17 17 TRP CH2 C 13 125.5 0.05 . 1 . . . . . . . . 5792 1 162 . 1 1 17 17 TRP HZ2 H 1 6.44 0.02 . 1 . . . . . . . . 5792 1 163 . 1 1 17 17 TRP HH2 H 1 6.71 0.02 . 1 . . . . . . . . 5792 1 164 . 1 1 17 17 TRP C C 13 178.3 0.05 . 1 . . . . . . . . 5792 1 165 . 1 1 18 18 LEU N N 15 117.3 0.05 . 1 . . . . . . . . 5792 1 166 . 1 1 18 18 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5792 1 167 . 1 1 18 18 LEU CA C 13 58.0 0.05 . 1 . . . . . . . . 5792 1 168 . 1 1 18 18 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 5792 1 169 . 1 1 18 18 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 5792 1 170 . 1 1 18 18 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5792 1 171 . 1 1 18 18 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 5792 1 172 . 1 1 18 18 LEU CG C 13 27.0 0.05 . 1 . . . . . . . . 5792 1 173 . 1 1 18 18 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 174 . 1 1 18 18 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 5792 1 175 . 1 1 18 18 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 5792 1 176 . 1 1 18 18 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 5792 1 177 . 1 1 18 18 LEU HD21 H 1 0.34 0.02 . 2 . . . . . . . . 5792 1 178 . 1 1 18 18 LEU HD22 H 1 0.34 0.02 . 2 . . . . . . . . 5792 1 179 . 1 1 18 18 LEU HD23 H 1 0.34 0.02 . 2 . . . . . . . . 5792 1 180 . 1 1 18 18 LEU CD1 C 13 24.1 0.05 . 1 . . . . . . . . 5792 1 181 . 1 1 18 18 LEU CD2 C 13 24.5 0.05 . 1 . . . . . . . . 5792 1 182 . 1 1 18 18 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 5792 1 183 . 1 1 19 19 THR N N 15 116.3 0.05 . 1 . . . . . . . . 5792 1 184 . 1 1 19 19 THR H H 1 8.10 0.02 . 1 . . . . . . . . 5792 1 185 . 1 1 19 19 THR CA C 13 67.1 0.05 . 1 . . . . . . . . 5792 1 186 . 1 1 19 19 THR HA H 1 4.04 0.02 . 1 . . . . . . . . 5792 1 187 . 1 1 19 19 THR CB C 13 69.0 0.05 . 1 . . . . . . . . 5792 1 188 . 1 1 19 19 THR HB H 1 4.58 0.02 . 1 . . . . . . . . 5792 1 189 . 1 1 19 19 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5792 1 190 . 1 1 19 19 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5792 1 191 . 1 1 19 19 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5792 1 192 . 1 1 19 19 THR CG2 C 13 21.8 0.05 . 1 . . . . . . . . 5792 1 193 . 1 1 19 19 THR C C 13 176.9 0.05 . 1 . . . . . . . . 5792 1 194 . 1 1 20 20 ILE N N 15 121.7 0.05 . 1 . . . . . . . . 5792 1 195 . 1 1 20 20 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5792 1 196 . 1 1 20 20 ILE CA C 13 66.1 0.05 . 1 . . . . . . . . 5792 1 197 . 1 1 20 20 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 5792 1 198 . 1 1 20 20 ILE CB C 13 38.0 0.05 . 1 . . . . . . . . 5792 1 199 . 1 1 20 20 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 5792 1 200 . 1 1 20 20 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 5792 1 201 . 1 1 20 20 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 5792 1 202 . 1 1 20 20 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 5792 1 203 . 1 1 20 20 ILE CG2 C 13 17.6 0.05 . 1 . . . . . . . . 5792 1 204 . 1 1 20 20 ILE HD11 H 1 0.34 0.02 . 1 . . . . . . . . 5792 1 205 . 1 1 20 20 ILE HD12 H 1 0.34 0.02 . 1 . . . . . . . . 5792 1 206 . 1 1 20 20 ILE HD13 H 1 0.34 0.02 . 1 . . . . . . . . 5792 1 207 . 1 1 20 20 ILE CD1 C 13 14.2 0.05 . 1 . . . . . . . . 5792 1 208 . 1 1 20 20 ILE C C 13 176.7 0.05 . 1 . . . . . . . . 5792 1 209 . 1 1 21 21 GLU N N 15 119.1 0.05 . 1 . . . . . . . . 5792 1 210 . 1 1 21 21 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 5792 1 211 . 1 1 21 21 GLU CA C 13 60.1 0.05 . 1 . . . . . . . . 5792 1 212 . 1 1 21 21 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 5792 1 213 . 1 1 21 21 GLU CB C 13 30.2 0.05 . 1 . . . . . . . . 5792 1 214 . 1 1 21 21 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5792 1 215 . 1 1 21 21 GLU HB3 H 1 2.17 0.02 . 2 . . . . . . . . 5792 1 216 . 1 1 21 21 GLU CG C 13 36.0 0.05 . 1 . . . . . . . . 5792 1 217 . 1 1 21 21 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 5792 1 218 . 1 1 21 21 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5792 1 219 . 1 1 21 21 GLU C C 13 179.0 0.05 . 1 . . . . . . . . 5792 1 220 . 1 1 22 22 GLU N N 15 117.3 0.05 . 1 . . . . . . . . 5792 1 221 . 1 1 22 22 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 5792 1 222 . 1 1 22 22 GLU CA C 13 59.6 0.05 . 1 . . . . . . . . 5792 1 223 . 1 1 22 22 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5792 1 224 . 1 1 22 22 GLU CB C 13 29.7 0.05 . 1 . . . . . . . . 5792 1 225 . 1 1 22 22 GLU HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5792 1 226 . 1 1 22 22 GLU HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5792 1 227 . 1 1 22 22 GLU CG C 13 36.9 0.05 . 1 . . . . . . . . 5792 1 228 . 1 1 22 22 GLU HG2 H 1 2.15 0.02 . 1 . . . . . . . . 5792 1 229 . 1 1 22 22 GLU HG3 H 1 2.15 0.02 . 1 . . . . . . . . 5792 1 230 . 1 1 22 22 GLU C C 13 179.6 0.05 . 1 . . . . . . . . 5792 1 231 . 1 1 23 23 ARG N N 15 118.1 0.05 . 1 . . . . . . . . 5792 1 232 . 1 1 23 23 ARG H H 1 8.00 0.02 . 1 . . . . . . . . 5792 1 233 . 1 1 23 23 ARG CA C 13 57.9 0.05 . 1 . . . . . . . . 5792 1 234 . 1 1 23 23 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 5792 1 235 . 1 1 23 23 ARG CB C 13 29.5 0.05 . 1 . . . . . . . . 5792 1 236 . 1 1 23 23 ARG HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5792 1 237 . 1 1 23 23 ARG HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5792 1 238 . 1 1 23 23 ARG CG C 13 27.0 0.05 . 1 . . . . . . . . 5792 1 239 . 1 1 23 23 ARG HG2 H 1 1.55 0.02 . 2 . . . . . . . . 5792 1 240 . 1 1 23 23 ARG HG3 H 1 1.83 0.02 . 2 . . . . . . . . 5792 1 241 . 1 1 23 23 ARG CD C 13 42.5 0.05 . 1 . . . . . . . . 5792 1 242 . 1 1 23 23 ARG HD2 H 1 3.71 0.02 . 1 . . . . . . . . 5792 1 243 . 1 1 23 23 ARG HD3 H 1 3.71 0.02 . 1 . . . . . . . . 5792 1 244 . 1 1 23 23 ARG C C 13 178.4 0.05 . 1 . . . . . . . . 5792 1 245 . 1 1 24 24 LEU N N 15 116.5 0.05 . 1 . . . . . . . . 5792 1 246 . 1 1 24 24 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5792 1 247 . 1 1 24 24 LEU CA C 13 56.3 0.05 . 1 . . . . . . . . 5792 1 248 . 1 1 24 24 LEU HA H 1 4.43 0.02 . 1 . . . . . . . . 5792 1 249 . 1 1 24 24 LEU CB C 13 40.3 0.05 . 1 . . . . . . . . 5792 1 250 . 1 1 24 24 LEU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5792 1 251 . 1 1 24 24 LEU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5792 1 252 . 1 1 24 24 LEU CG C 13 26.5 0.05 . 1 . . . . . . . . 5792 1 253 . 1 1 24 24 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5792 1 254 . 1 1 24 24 LEU HD11 H 1 0.68 0.02 . 2 . . . . . . . . 5792 1 255 . 1 1 24 24 LEU HD12 H 1 0.68 0.02 . 2 . . . . . . . . 5792 1 256 . 1 1 24 24 LEU HD13 H 1 0.68 0.02 . 2 . . . . . . . . 5792 1 257 . 1 1 24 24 LEU CD1 C 13 21.6 0.05 . 1 . . . . . . . . 5792 1 258 . 1 1 24 24 LEU C C 13 178.9 0.05 . 1 . . . . . . . . 5792 1 259 . 1 1 25 25 ASP N N 15 122.8 0.05 . 1 . . . . . . . . 5792 1 260 . 1 1 25 25 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 5792 1 261 . 1 1 25 25 ASP CA C 13 56.9 0.05 . 1 . . . . . . . . 5792 1 262 . 1 1 25 25 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 5792 1 263 . 1 1 25 25 ASP CB C 13 41.0 0.05 . 1 . . . . . . . . 5792 1 264 . 1 1 25 25 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5792 1 265 . 1 1 25 25 ASP HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5792 1 266 . 1 1 25 25 ASP C C 13 177.0 0.05 . 1 . . . . . . . . 5792 1 267 . 1 1 26 26 ASP N N 15 118.3 0.05 . 1 . . . . . . . . 5792 1 268 . 1 1 26 26 ASP H H 1 7.54 0.02 . 1 . . . . . . . . 5792 1 269 . 1 1 26 26 ASP CA C 13 53.3 0.05 . 1 . . . . . . . . 5792 1 270 . 1 1 26 26 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 5792 1 271 . 1 1 26 26 ASP CB C 13 41.2 0.05 . 1 . . . . . . . . 5792 1 272 . 1 1 26 26 ASP HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5792 1 273 . 1 1 26 26 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5792 1 274 . 1 1 26 26 ASP C C 13 175.8 0.05 . 1 . . . . . . . . 5792 1 275 . 1 1 27 27 TRP N N 15 121.5 0.05 . 1 . . . . . . . . 5792 1 276 . 1 1 27 27 TRP H H 1 7.50 0.02 . 1 . . . . . . . . 5792 1 277 . 1 1 27 27 TRP CA C 13 58.9 0.05 . 1 . . . . . . . . 5792 1 278 . 1 1 27 27 TRP HA H 1 4.53 0.02 . 1 . . . . . . . . 5792 1 279 . 1 1 27 27 TRP CB C 13 30.3 0.05 . 1 . . . . . . . . 5792 1 280 . 1 1 27 27 TRP HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5792 1 281 . 1 1 27 27 TRP HB3 H 1 3.48 0.02 . 2 . . . . . . . . 5792 1 282 . 1 1 27 27 TRP CD1 C 13 128.3 0.05 . 1 . . . . . . . . 5792 1 283 . 1 1 27 27 TRP CE3 C 13 121.9 0.05 . 1 . . . . . . . . 5792 1 284 . 1 1 27 27 TRP NE1 N 15 129.6 0.05 . 1 . . . . . . . . 5792 1 285 . 1 1 27 27 TRP HD1 H 1 7.58 0.02 . 1 . . . . . . . . 5792 1 286 . 1 1 27 27 TRP HE3 H 1 7.21 0.02 . 1 . . . . . . . . 5792 1 287 . 1 1 27 27 TRP CZ2 C 13 113.1 0.05 . 1 . . . . . . . . 5792 1 288 . 1 1 27 27 TRP HE1 H 1 10.32 0.02 . 1 . . . . . . . . 5792 1 289 . 1 1 27 27 TRP CH2 C 13 123.8 0.05 . 1 . . . . . . . . 5792 1 290 . 1 1 27 27 TRP HZ2 H 1 6.68 0.02 . 1 . . . . . . . . 5792 1 291 . 1 1 27 27 TRP HH2 H 1 6.88 0.02 . 1 . . . . . . . . 5792 1 292 . 1 1 27 27 TRP C C 13 176.2 0.05 . 1 . . . . . . . . 5792 1 293 . 1 1 28 28 ASP N N 15 127.1 0.05 . 1 . . . . . . . . 5792 1 294 . 1 1 28 28 ASP H H 1 7.76 0.02 . 1 . . . . . . . . 5792 1 295 . 1 1 28 28 ASP CA C 13 52.5 0.05 . 1 . . . . . . . . 5792 1 296 . 1 1 28 28 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5792 1 297 . 1 1 28 28 ASP HB2 H 1 2.57 0.02 . 2 . . . . . . . . 5792 1 298 . 1 1 28 28 ASP HB3 H 1 2.40 0.02 . 2 . . . . . . . . 5792 1 299 . 1 1 29 29 GLY CA C 13 44.2 0.05 . 1 . . . . . . . . 5792 1 300 . 1 1 29 29 GLY HA2 H 1 3.29 0.02 . 2 . . . . . . . . 5792 1 301 . 1 1 29 29 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 5792 1 302 . 1 1 29 29 GLY C C 13 173.3 0.05 . 1 . . . . . . . . 5792 1 303 . 1 1 30 30 ASP N N 15 122.4 0.05 . 1 . . . . . . . . 5792 1 304 . 1 1 30 30 ASP H H 1 10.11 0.02 . 1 . . . . . . . . 5792 1 305 . 1 1 30 30 ASP CA C 13 56.2 0.05 . 1 . . . . . . . . 5792 1 306 . 1 1 30 30 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5792 1 307 . 1 1 30 30 ASP CB C 13 41.9 0.05 . 1 . . . . . . . . 5792 1 308 . 1 1 30 30 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5792 1 309 . 1 1 30 30 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5792 1 310 . 1 1 30 30 ASP C C 13 177.0 0.05 . 1 . . . . . . . . 5792 1 311 . 1 1 31 31 SER N N 15 117.9 0.05 . 1 . . . . . . . . 5792 1 312 . 1 1 31 31 SER H H 1 9.22 0.02 . 1 . . . . . . . . 5792 1 313 . 1 1 31 31 SER CA C 13 57.6 0.05 . 1 . . . . . . . . 5792 1 314 . 1 1 31 31 SER HA H 1 4.73 0.02 . 1 . . . . . . . . 5792 1 315 . 1 1 31 31 SER CB C 13 65.9 0.05 . 1 . . . . . . . . 5792 1 316 . 1 1 31 31 SER HB2 H 1 3.97 0.02 . 1 . . . . . . . . 5792 1 317 . 1 1 31 31 SER HB3 H 1 3.97 0.02 . 1 . . . . . . . . 5792 1 318 . 1 1 31 31 SER C C 13 173.6 0.05 . 1 . . . . . . . . 5792 1 319 . 1 1 32 32 ASP N N 15 122.3 0.05 . 1 . . . . . . . . 5792 1 320 . 1 1 32 32 ASP H H 1 9.01 0.02 . 1 . . . . . . . . 5792 1 321 . 1 1 32 32 ASP CA C 13 54.6 0.05 . 1 . . . . . . . . 5792 1 322 . 1 1 32 32 ASP HA H 1 4.92 0.02 . 1 . . . . . . . . 5792 1 323 . 1 1 32 32 ASP CB C 13 41.7 0.05 . 1 . . . . . . . . 5792 1 324 . 1 1 32 32 ASP HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5792 1 325 . 1 1 32 32 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5792 1 326 . 1 1 32 32 ASP C C 13 176.2 0.05 . 1 . . . . . . . . 5792 1 327 . 1 1 33 33 ILE N N 15 123.6 0.05 . 1 . . . . . . . . 5792 1 328 . 1 1 33 33 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5792 1 329 . 1 1 33 33 ILE CA C 13 61.5 0.05 . 1 . . . . . . . . 5792 1 330 . 1 1 33 33 ILE HA H 1 4.04 0.02 . 1 . . . . . . . . 5792 1 331 . 1 1 33 33 ILE CB C 13 41.2 0.05 . 1 . . . . . . . . 5792 1 332 . 1 1 33 33 ILE HB H 1 0.81 0.02 . 1 . . . . . . . . 5792 1 333 . 1 1 33 33 ILE HG21 H 1 0.59 0.02 . 1 . . . . . . . . 5792 1 334 . 1 1 33 33 ILE HG22 H 1 0.59 0.02 . 1 . . . . . . . . 5792 1 335 . 1 1 33 33 ILE HG23 H 1 0.59 0.02 . 1 . . . . . . . . 5792 1 336 . 1 1 33 33 ILE CG2 C 13 18.3 0.05 . 1 . . . . . . . . 5792 1 337 . 1 1 33 33 ILE CG1 C 13 27.2 0.05 . 1 . . . . . . . . 5792 1 338 . 1 1 33 33 ILE HD11 H 1 0.03 0.02 . 1 . . . . . . . . 5792 1 339 . 1 1 33 33 ILE HD12 H 1 0.03 0.02 . 1 . . . . . . . . 5792 1 340 . 1 1 33 33 ILE HD13 H 1 0.03 0.02 . 1 . . . . . . . . 5792 1 341 . 1 1 33 33 ILE CD1 C 13 13.3 0.05 . 1 . . . . . . . . 5792 1 342 . 1 1 33 33 ILE C C 13 173.9 0.05 . 1 . . . . . . . . 5792 1 343 . 1 1 34 34 ASP N N 15 125.9 0.05 . 1 . . . . . . . . 5792 1 344 . 1 1 34 34 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 5792 1 345 . 1 1 34 34 ASP CA C 13 52.8 0.05 . 1 . . . . . . . . 5792 1 346 . 1 1 34 34 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 5792 1 347 . 1 1 34 34 ASP CB C 13 44.9 0.05 . 1 . . . . . . . . 5792 1 348 . 1 1 34 34 ASP HB2 H 1 2.48 0.02 . 1 . . . . . . . . 5792 1 349 . 1 1 34 34 ASP HB3 H 1 2.48 0.02 . 1 . . . . . . . . 5792 1 350 . 1 1 34 34 ASP C C 13 174.1 0.05 . 1 . . . . . . . . 5792 1 351 . 1 1 35 35 CYS N N 15 122.4 0.05 . 1 . . . . . . . . 5792 1 352 . 1 1 35 35 CYS H H 1 8.67 0.02 . 1 . . . . . . . . 5792 1 353 . 1 1 35 35 CYS CA C 13 57.2 0.05 . 1 . . . . . . . . 5792 1 354 . 1 1 35 35 CYS HA H 1 5.02 0.02 . 1 . . . . . . . . 5792 1 355 . 1 1 35 35 CYS CB C 13 29.2 0.05 . 1 . . . . . . . . 5792 1 356 . 1 1 35 35 CYS HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5792 1 357 . 1 1 35 35 CYS HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5792 1 358 . 1 1 35 35 CYS C C 13 172.5 0.05 . 1 . . . . . . . . 5792 1 359 . 1 1 36 36 GLU N N 15 128.6 0.05 . 1 . . . . . . . . 5792 1 360 . 1 1 36 36 GLU H H 1 8.79 0.02 . 1 . . . . . . . . 5792 1 361 . 1 1 36 36 GLU CA C 13 55.2 0.05 . 1 . . . . . . . . 5792 1 362 . 1 1 36 36 GLU HA H 1 4.68 0.02 . 1 . . . . . . . . 5792 1 363 . 1 1 36 36 GLU CB C 13 33.4 0.05 . 1 . . . . . . . . 5792 1 364 . 1 1 36 36 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5792 1 365 . 1 1 36 36 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5792 1 366 . 1 1 36 36 GLU CG C 13 36.5 0.05 . 1 . . . . . . . . 5792 1 367 . 1 1 36 36 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5792 1 368 . 1 1 36 36 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5792 1 369 . 1 1 36 36 GLU C C 13 174.4 0.05 . 1 . . . . . . . . 5792 1 370 . 1 1 37 37 ILE N N 15 126.9 0.05 . 1 . . . . . . . . 5792 1 371 . 1 1 37 37 ILE H H 1 8.91 0.02 . 1 . . . . . . . . 5792 1 372 . 1 1 37 37 ILE CA C 13 60.9 0.05 . 1 . . . . . . . . 5792 1 373 . 1 1 37 37 ILE HA H 1 4.67 0.02 . 1 . . . . . . . . 5792 1 374 . 1 1 37 37 ILE CB C 13 39.3 0.05 . 1 . . . . . . . . 5792 1 375 . 1 1 37 37 ILE HB H 1 1.75 0.02 . 1 . . . . . . . . 5792 1 376 . 1 1 37 37 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 5792 1 377 . 1 1 37 37 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 5792 1 378 . 1 1 37 37 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 5792 1 379 . 1 1 37 37 ILE CG2 C 13 18.2 0.05 . 1 . . . . . . . . 5792 1 380 . 1 1 37 37 ILE CG1 C 13 28.9 0.05 . 1 . . . . . . . . 5792 1 381 . 1 1 37 37 ILE HG12 H 1 1.41 0.02 . 2 . . . . . . . . 5792 1 382 . 1 1 37 37 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 5792 1 383 . 1 1 37 37 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 5792 1 384 . 1 1 37 37 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 5792 1 385 . 1 1 37 37 ILE CD1 C 13 14.1 0.05 . 1 . . . . . . . . 5792 1 386 . 1 1 37 37 ILE C C 13 175.4 0.05 . 1 . . . . . . . . 5792 1 387 . 1 1 38 38 ASN N N 15 125.8 0.05 . 1 . . . . . . . . 5792 1 388 . 1 1 38 38 ASN H H 1 8.69 0.02 . 1 . . . . . . . . 5792 1 389 . 1 1 38 38 ASN CA C 13 52.1 0.05 . 1 . . . . . . . . 5792 1 390 . 1 1 38 38 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . 5792 1 391 . 1 1 38 38 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5792 1 392 . 1 1 38 38 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5792 1 393 . 1 1 38 38 ASN ND2 N 15 112.8 0.05 . 1 . . . . . . . . 5792 1 394 . 1 1 38 38 ASN HD21 H 1 7.61 0.02 . 2 . . . . . . . . 5792 1 395 . 1 1 38 38 ASN HD22 H 1 6.96 0.02 . 2 . . . . . . . . 5792 1 396 . 1 1 39 39 GLY CA C 13 47.6 0.05 . 1 . . . . . . . . 5792 1 397 . 1 1 39 39 GLY C C 13 175.4 0.05 . 1 . . . . . . . . 5792 1 398 . 1 1 40 40 GLY N N 15 111.1 0.05 . 1 . . . . . . . . 5792 1 399 . 1 1 40 40 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 5792 1 400 . 1 1 40 40 GLY CA C 13 45.7 0.05 . 1 . . . . . . . . 5792 1 401 . 1 1 40 40 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 5792 1 402 . 1 1 40 40 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 5792 1 403 . 1 1 40 40 GLY C C 13 173.3 0.05 . 1 . . . . . . . . 5792 1 404 . 1 1 41 41 VAL N N 15 123.2 0.05 . 1 . . . . . . . . 5792 1 405 . 1 1 41 41 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 5792 1 406 . 1 1 41 41 VAL CA C 13 62.3 0.05 . 1 . . . . . . . . 5792 1 407 . 1 1 41 41 VAL HA H 1 4.74 0.02 . 1 . . . . . . . . 5792 1 408 . 1 1 41 41 VAL CB C 13 33.9 0.05 . 1 . . . . . . . . 5792 1 409 . 1 1 41 41 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5792 1 410 . 1 1 41 41 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 411 . 1 1 41 41 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 412 . 1 1 41 41 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 413 . 1 1 41 41 VAL HG21 H 1 1.04 0.02 . 2 . . . . . . . . 5792 1 414 . 1 1 41 41 VAL HG22 H 1 1.04 0.02 . 2 . . . . . . . . 5792 1 415 . 1 1 41 41 VAL HG23 H 1 1.04 0.02 . 2 . . . . . . . . 5792 1 416 . 1 1 41 41 VAL CG1 C 13 21.2 0.05 . 1 . . . . . . . . 5792 1 417 . 1 1 41 41 VAL C C 13 174.2 0.05 . 1 . . . . . . . . 5792 1 418 . 1 1 42 42 LEU N N 15 133.8 0.05 . 1 . . . . . . . . 5792 1 419 . 1 1 42 42 LEU H H 1 9.03 0.02 . 1 . . . . . . . . 5792 1 420 . 1 1 42 42 LEU CA C 13 54.9 0.05 . 1 . . . . . . . . 5792 1 421 . 1 1 42 42 LEU HA H 1 4.74 0.02 . 1 . . . . . . . . 5792 1 422 . 1 1 42 42 LEU CB C 13 43.9 0.05 . 1 . . . . . . . . 5792 1 423 . 1 1 42 42 LEU HB2 H 1 0.39 0.02 . 2 . . . . . . . . 5792 1 424 . 1 1 42 42 LEU HB3 H 1 0.81 0.02 . 2 . . . . . . . . 5792 1 425 . 1 1 42 42 LEU CG C 13 27.1 0.05 . 1 . . . . . . . . 5792 1 426 . 1 1 42 42 LEU HG H 1 1.02 0.02 . 1 . . . . . . . . 5792 1 427 . 1 1 42 42 LEU HD11 H 1 -0.03 0.02 . 2 . . . . . . . . 5792 1 428 . 1 1 42 42 LEU HD12 H 1 -0.03 0.02 . 2 . . . . . . . . 5792 1 429 . 1 1 42 42 LEU HD13 H 1 -0.03 0.02 . 2 . . . . . . . . 5792 1 430 . 1 1 42 42 LEU HD21 H 1 0.01 0.02 . 2 . . . . . . . . 5792 1 431 . 1 1 42 42 LEU HD22 H 1 0.01 0.02 . 2 . . . . . . . . 5792 1 432 . 1 1 42 42 LEU HD23 H 1 0.01 0.02 . 2 . . . . . . . . 5792 1 433 . 1 1 42 42 LEU CD1 C 13 24.3 0.05 . 1 . . . . . . . . 5792 1 434 . 1 1 42 42 LEU CD2 C 13 24.8 0.05 . 1 . . . . . . . . 5792 1 435 . 1 1 42 42 LEU C C 13 174.7 0.05 . 1 . . . . . . . . 5792 1 436 . 1 1 43 43 THR N N 15 122.2 0.05 . 1 . . . . . . . . 5792 1 437 . 1 1 43 43 THR H H 1 9.07 0.02 . 1 . . . . . . . . 5792 1 438 . 1 1 43 43 THR CA C 13 62.1 0.05 . 1 . . . . . . . . 5792 1 439 . 1 1 43 43 THR HA H 1 5.02 0.02 . 1 . . . . . . . . 5792 1 440 . 1 1 43 43 THR CB C 13 70.6 0.05 . 1 . . . . . . . . 5792 1 441 . 1 1 43 43 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 5792 1 442 . 1 1 43 43 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5792 1 443 . 1 1 43 43 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5792 1 444 . 1 1 43 43 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5792 1 445 . 1 1 43 43 THR CG2 C 13 21.2 0.05 . 1 . . . . . . . . 5792 1 446 . 1 1 43 43 THR C C 13 173.9 0.05 . 1 . . . . . . . . 5792 1 447 . 1 1 44 44 ILE N N 15 131.5 0.05 . 1 . . . . . . . . 5792 1 448 . 1 1 44 44 ILE H H 1 9.67 0.02 . 1 . . . . . . . . 5792 1 449 . 1 1 44 44 ILE CA C 13 60.0 0.05 . 1 . . . . . . . . 5792 1 450 . 1 1 44 44 ILE HA H 1 4.66 0.02 . 1 . . . . . . . . 5792 1 451 . 1 1 44 44 ILE CB C 13 39.7 0.05 . 1 . . . . . . . . 5792 1 452 . 1 1 44 44 ILE HB H 1 1.54 0.02 . 1 . . . . . . . . 5792 1 453 . 1 1 44 44 ILE HG21 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 454 . 1 1 44 44 ILE HG22 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 455 . 1 1 44 44 ILE HG23 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 456 . 1 1 44 44 ILE CG2 C 13 18.7 0.05 . 1 . . . . . . . . 5792 1 457 . 1 1 44 44 ILE HG12 H 1 1.01 0.02 . 2 . . . . . . . . 5792 1 458 . 1 1 44 44 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 5792 1 459 . 1 1 44 44 ILE HD11 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 460 . 1 1 44 44 ILE HD12 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 461 . 1 1 44 44 ILE HD13 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 462 . 1 1 44 44 ILE CD1 C 13 13.4 0.05 . 1 . . . . . . . . 5792 1 463 . 1 1 44 44 ILE C C 13 174.8 0.05 . 1 . . . . . . . . 5792 1 464 . 1 1 45 45 THR N N 15 122.2 0.05 . 1 . . . . . . . . 5792 1 465 . 1 1 45 45 THR H H 1 8.64 0.02 . 1 . . . . . . . . 5792 1 466 . 1 1 45 45 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 5792 1 467 . 1 1 45 45 THR HA H 1 4.85 0.02 . 1 . . . . . . . . 5792 1 468 . 1 1 45 45 THR CB C 13 69.9 0.05 . 1 . . . . . . . . 5792 1 469 . 1 1 45 45 THR HB H 1 3.81 0.02 . 1 . . . . . . . . 5792 1 470 . 1 1 45 45 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5792 1 471 . 1 1 45 45 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5792 1 472 . 1 1 45 45 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5792 1 473 . 1 1 45 45 THR CG2 C 13 20.8 0.05 . 1 . . . . . . . . 5792 1 474 . 1 1 45 45 THR C C 13 173.7 0.05 . 1 . . . . . . . . 5792 1 475 . 1 1 46 46 PHE N N 15 126.1 0.05 . 1 . . . . . . . . 5792 1 476 . 1 1 46 46 PHE H H 1 8.54 0.02 . 1 . . . . . . . . 5792 1 477 . 1 1 46 46 PHE CA C 13 58.0 0.05 . 1 . . . . . . . . 5792 1 478 . 1 1 46 46 PHE HA H 1 4.56 0.02 . 1 . . . . . . . . 5792 1 479 . 1 1 46 46 PHE CB C 13 39.9 0.05 . 1 . . . . . . . . 5792 1 480 . 1 1 46 46 PHE HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5792 1 481 . 1 1 46 46 PHE HB3 H 1 3.46 0.02 . 2 . . . . . . . . 5792 1 482 . 1 1 46 46 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 5792 1 483 . 1 1 46 46 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5792 1 484 . 1 1 46 46 PHE HE1 H 1 6.93 0.02 . 1 . . . . . . . . 5792 1 485 . 1 1 46 46 PHE HE2 H 1 6.93 0.02 . 1 . . . . . . . . 5792 1 486 . 1 1 46 46 PHE CD1 C 13 131.7 0.05 . 1 . . . . . . . . 5792 1 487 . 1 1 46 46 PHE CE1 C 13 129.4 0.05 . 1 . . . . . . . . 5792 1 488 . 1 1 46 46 PHE CZ C 13 125.2 0.05 . 1 . . . . . . . . 5792 1 489 . 1 1 46 46 PHE HZ H 1 7.07 0.02 . 1 . . . . . . . . 5792 1 490 . 1 1 46 46 PHE C C 13 177.5 0.05 . 1 . . . . . . . . 5792 1 491 . 1 1 47 47 GLU N N 15 125.1 0.05 . 1 . . . . . . . . 5792 1 492 . 1 1 47 47 GLU H H 1 9.20 0.02 . 1 . . . . . . . . 5792 1 493 . 1 1 47 47 GLU CA C 13 59.9 0.05 . 1 . . . . . . . . 5792 1 494 . 1 1 47 47 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5792 1 495 . 1 1 47 47 GLU CB C 13 30.2 0.05 . 1 . . . . . . . . 5792 1 496 . 1 1 47 47 GLU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5792 1 497 . 1 1 47 47 GLU HB3 H 1 2.47 0.02 . 2 . . . . . . . . 5792 1 498 . 1 1 47 47 GLU CG C 13 36.9 0.05 . 1 . . . . . . . . 5792 1 499 . 1 1 47 47 GLU HG2 H 1 2.45 0.02 . 2 . . . . . . . . 5792 1 500 . 1 1 47 47 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 5792 1 501 . 1 1 47 47 GLU C C 13 177.4 0.05 . 1 . . . . . . . . 5792 1 502 . 1 1 48 48 ASN N N 15 113.8 0.05 . 1 . . . . . . . . 5792 1 503 . 1 1 48 48 ASN H H 1 8.37 0.02 . 1 . . . . . . . . 5792 1 504 . 1 1 48 48 ASN CA C 13 52.7 0.05 . 1 . . . . . . . . 5792 1 505 . 1 1 48 48 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 5792 1 506 . 1 1 48 48 ASN CB C 13 37.0 0.05 . 1 . . . . . . . . 5792 1 507 . 1 1 48 48 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5792 1 508 . 1 1 48 48 ASN HB3 H 1 3.42 0.02 . 2 . . . . . . . . 5792 1 509 . 1 1 48 48 ASN ND2 N 15 112.5 0.05 . 1 . . . . . . . . 5792 1 510 . 1 1 48 48 ASN HD21 H 1 7.73 0.02 . 2 . . . . . . . . 5792 1 511 . 1 1 48 48 ASN HD22 H 1 6.70 0.02 . 2 . . . . . . . . 5792 1 512 . 1 1 48 48 ASN C C 13 176.5 0.05 . 1 . . . . . . . . 5792 1 513 . 1 1 49 49 GLY N N 15 109.8 0.05 . 1 . . . . . . . . 5792 1 514 . 1 1 49 49 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5792 1 515 . 1 1 49 49 GLY CA C 13 45.1 0.05 . 1 . . . . . . . . 5792 1 516 . 1 1 49 49 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 5792 1 517 . 1 1 49 49 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 5792 1 518 . 1 1 49 49 GLY C C 13 174.5 0.05 . 1 . . . . . . . . 5792 1 519 . 1 1 50 50 SER N N 15 117.2 0.05 . 1 . . . . . . . . 5792 1 520 . 1 1 50 50 SER H H 1 8.25 0.02 . 1 . . . . . . . . 5792 1 521 . 1 1 50 50 SER CA C 13 59.0 0.05 . 1 . . . . . . . . 5792 1 522 . 1 1 50 50 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 5792 1 523 . 1 1 50 50 SER CB C 13 64.6 0.05 . 1 . . . . . . . . 5792 1 524 . 1 1 50 50 SER HB2 H 1 4.00 0.02 . 1 . . . . . . . . 5792 1 525 . 1 1 50 50 SER HB3 H 1 4.00 0.02 . 1 . . . . . . . . 5792 1 526 . 1 1 50 50 SER C C 13 172.7 0.05 . 1 . . . . . . . . 5792 1 527 . 1 1 51 51 LYS N N 15 115.7 0.05 . 1 . . . . . . . . 5792 1 528 . 1 1 51 51 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 5792 1 529 . 1 1 51 51 LYS CA C 13 55.1 0.05 . 1 . . . . . . . . 5792 1 530 . 1 1 51 51 LYS HA H 1 5.99 0.02 . 1 . . . . . . . . 5792 1 531 . 1 1 51 51 LYS CB C 13 38.0 0.05 . 1 . . . . . . . . 5792 1 532 . 1 1 51 51 LYS HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5792 1 533 . 1 1 51 51 LYS HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5792 1 534 . 1 1 51 51 LYS CG C 13 25.1 0.05 . 1 . . . . . . . . 5792 1 535 . 1 1 51 51 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 5792 1 536 . 1 1 51 51 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 5792 1 537 . 1 1 51 51 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5792 1 538 . 1 1 51 51 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 539 . 1 1 51 51 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 540 . 1 1 51 51 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5792 1 541 . 1 1 51 51 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5792 1 542 . 1 1 51 51 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5792 1 543 . 1 1 51 51 LYS C C 13 178.2 0.05 . 1 . . . . . . . . 5792 1 544 . 1 1 52 52 ILE N N 15 123.6 0.05 . 1 . . . . . . . . 5792 1 545 . 1 1 52 52 ILE H H 1 9.31 0.02 . 1 . . . . . . . . 5792 1 546 . 1 1 52 52 ILE CA C 13 61.4 0.05 . 1 . . . . . . . . 5792 1 547 . 1 1 52 52 ILE HA H 1 4.81 0.02 . 1 . . . . . . . . 5792 1 548 . 1 1 52 52 ILE CB C 13 42.4 0.05 . 1 . . . . . . . . 5792 1 549 . 1 1 52 52 ILE HB H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 550 . 1 1 52 52 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5792 1 551 . 1 1 52 52 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5792 1 552 . 1 1 52 52 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5792 1 553 . 1 1 52 52 ILE CG2 C 13 17.3 0.05 . 1 . . . . . . . . 5792 1 554 . 1 1 52 52 ILE CG1 C 13 29.0 0.05 . 1 . . . . . . . . 5792 1 555 . 1 1 52 52 ILE HG12 H 1 1.04 0.02 . 2 . . . . . . . . 5792 1 556 . 1 1 52 52 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 5792 1 557 . 1 1 52 52 ILE HD11 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 558 . 1 1 52 52 ILE HD12 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 559 . 1 1 52 52 ILE HD13 H 1 0.05 0.02 . 1 . . . . . . . . 5792 1 560 . 1 1 52 52 ILE CD1 C 13 14.2 0.05 . 1 . . . . . . . . 5792 1 561 . 1 1 52 52 ILE C C 13 173.8 0.05 . 1 . . . . . . . . 5792 1 562 . 1 1 53 53 ILE N N 15 127.1 0.05 . 1 . . . . . . . . 5792 1 563 . 1 1 53 53 ILE H H 1 8.70 0.02 . 1 . . . . . . . . 5792 1 564 . 1 1 53 53 ILE CA C 13 60.5 0.05 . 1 . . . . . . . . 5792 1 565 . 1 1 53 53 ILE HA H 1 5.00 0.02 . 1 . . . . . . . . 5792 1 566 . 1 1 53 53 ILE CB C 13 41.2 0.05 . 1 . . . . . . . . 5792 1 567 . 1 1 53 53 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 568 . 1 1 53 53 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5792 1 569 . 1 1 53 53 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5792 1 570 . 1 1 53 53 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5792 1 571 . 1 1 53 53 ILE CG2 C 13 18.3 0.05 . 1 . . . . . . . . 5792 1 572 . 1 1 53 53 ILE CG1 C 13 28.2 0.05 . 1 . . . . . . . . 5792 1 573 . 1 1 53 53 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 574 . 1 1 53 53 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 575 . 1 1 53 53 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 5792 1 576 . 1 1 53 53 ILE CD1 C 13 13.7 0.05 . 1 . . . . . . . . 5792 1 577 . 1 1 53 53 ILE C C 13 175.3 0.05 . 1 . . . . . . . . 5792 1 578 . 1 1 54 54 ILE N N 15 130.5 0.05 . 1 . . . . . . . . 5792 1 579 . 1 1 54 54 ILE H H 1 9.69 0.02 . 1 . . . . . . . . 5792 1 580 . 1 1 54 54 ILE CA C 13 59.8 0.05 . 1 . . . . . . . . 5792 1 581 . 1 1 54 54 ILE HA H 1 5.32 0.02 . 1 . . . . . . . . 5792 1 582 . 1 1 54 54 ILE CB C 13 38.7 0.05 . 1 . . . . . . . . 5792 1 583 . 1 1 54 54 ILE HB H 1 1.42 0.02 . 1 . . . . . . . . 5792 1 584 . 1 1 54 54 ILE HG21 H 1 0.71 0.02 . 1 . . . . . . . . 5792 1 585 . 1 1 54 54 ILE HG22 H 1 0.71 0.02 . 1 . . . . . . . . 5792 1 586 . 1 1 54 54 ILE HG23 H 1 0.71 0.02 . 1 . . . . . . . . 5792 1 587 . 1 1 54 54 ILE CG2 C 13 18.9 0.05 . 1 . . . . . . . . 5792 1 588 . 1 1 54 54 ILE CG1 C 13 27.4 0.05 . 1 . . . . . . . . 5792 1 589 . 1 1 54 54 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5792 1 590 . 1 1 54 54 ILE HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5792 1 591 . 1 1 54 54 ILE HD11 H 1 0.41 0.02 . 1 . . . . . . . . 5792 1 592 . 1 1 54 54 ILE HD12 H 1 0.41 0.02 . 1 . . . . . . . . 5792 1 593 . 1 1 54 54 ILE HD13 H 1 0.41 0.02 . 1 . . . . . . . . 5792 1 594 . 1 1 54 54 ILE CD1 C 13 14.7 0.05 . 1 . . . . . . . . 5792 1 595 . 1 1 54 54 ILE C C 13 174.1 0.05 . 1 . . . . . . . . 5792 1 596 . 1 1 55 55 ASN N N 15 122.6 0.05 . 1 . . . . . . . . 5792 1 597 . 1 1 55 55 ASN H H 1 9.41 0.02 . 1 . . . . . . . . 5792 1 598 . 1 1 55 55 ASN CA C 13 51.8 0.05 . 1 . . . . . . . . 5792 1 599 . 1 1 55 55 ASN HA H 1 5.78 0.02 . 1 . . . . . . . . 5792 1 600 . 1 1 55 55 ASN CB C 13 42.4 0.05 . 1 . . . . . . . . 5792 1 601 . 1 1 55 55 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5792 1 602 . 1 1 55 55 ASN HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5792 1 603 . 1 1 55 55 ASN ND2 N 15 110.9 0.05 . 1 . . . . . . . . 5792 1 604 . 1 1 55 55 ASN HD21 H 1 7.21 0.02 . 2 . . . . . . . . 5792 1 605 . 1 1 55 55 ASN HD22 H 1 6.42 0.02 . 2 . . . . . . . . 5792 1 606 . 1 1 55 55 ASN C C 13 174.4 0.05 . 1 . . . . . . . . 5792 1 607 . 1 1 56 56 ARG N N 15 120.0 0.05 . 1 . . . . . . . . 5792 1 608 . 1 1 56 56 ARG H H 1 9.02 0.02 . 1 . . . . . . . . 5792 1 609 . 1 1 56 56 ARG CA C 13 56.1 0.05 . 1 . . . . . . . . 5792 1 610 . 1 1 56 56 ARG HA H 1 4.66 0.02 . 1 . . . . . . . . 5792 1 611 . 1 1 56 56 ARG CB C 13 31.9 0.05 . 1 . . . . . . . . 5792 1 612 . 1 1 56 56 ARG HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5792 1 613 . 1 1 56 56 ARG HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5792 1 614 . 1 1 56 56 ARG CG C 13 28.5 0.05 . 1 . . . . . . . . 5792 1 615 . 1 1 56 56 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5792 1 616 . 1 1 56 56 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5792 1 617 . 1 1 56 56 ARG CD C 13 43.9 0.05 . 1 . . . . . . . . 5792 1 618 . 1 1 56 56 ARG C C 13 174.7 0.05 . 1 . . . . . . . . 5792 1 619 . 1 1 57 57 GLN N N 15 124.4 0.05 . 1 . . . . . . . . 5792 1 620 . 1 1 57 57 GLN H H 1 8.76 0.02 . 1 . . . . . . . . 5792 1 621 . 1 1 57 57 GLN CA C 13 52.4 0.05 . 1 . . . . . . . . 5792 1 622 . 1 1 57 57 GLN HA H 1 4.50 0.02 . 1 . . . . . . . . 5792 1 623 . 1 1 57 57 GLN CB C 13 27.3 0.05 . 1 . . . . . . . . 5792 1 624 . 1 1 57 57 GLN HB2 H 1 0.96 0.02 . 2 . . . . . . . . 5792 1 625 . 1 1 57 57 GLN HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5792 1 626 . 1 1 57 57 GLN CG C 13 29.9 0.05 . 1 . . . . . . . . 5792 1 627 . 1 1 57 57 GLN HG2 H 1 0.22 0.02 . 2 . . . . . . . . 5792 1 628 . 1 1 57 57 GLN HG3 H 1 1.13 0.02 . 2 . . . . . . . . 5792 1 629 . 1 1 57 57 GLN NE2 N 15 109.2 0.05 . 1 . . . . . . . . 5792 1 630 . 1 1 57 57 GLN HE21 H 1 6.19 0.02 . 2 . . . . . . . . 5792 1 631 . 1 1 57 57 GLN HE22 H 1 5.36 0.02 . 2 . . . . . . . . 5792 1 632 . 1 1 57 57 GLN C C 13 175.9 0.05 . 1 . . . . . . . . 5792 1 633 . 1 1 58 58 GLU N N 15 125.5 0.05 . 1 . . . . . . . . 5792 1 634 . 1 1 58 58 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 5792 1 635 . 1 1 58 58 GLU CA C 13 61.8 0.05 . 1 . . . . . . . . 5792 1 636 . 1 1 58 58 GLU HA H 1 3.37 0.02 . 1 . . . . . . . . 5792 1 637 . 1 1 58 58 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5792 1 638 . 1 1 58 58 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5792 1 639 . 1 1 58 58 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . 5792 1 640 . 1 1 58 58 GLU HG3 H 1 2.11 0.02 . 1 . . . . . . . . 5792 1 641 . 1 1 59 59 PRO CD C 13 50.7 0.05 . 1 . . . . . . . . 5792 1 642 . 1 1 59 59 PRO CA C 13 65.4 0.05 . 1 . . . . . . . . 5792 1 643 . 1 1 59 59 PRO CB C 13 31.2 0.05 . 1 . . . . . . . . 5792 1 644 . 1 1 59 59 PRO HB2 H 1 2.54 0.02 . 1 . . . . . . . . 5792 1 645 . 1 1 59 59 PRO HB3 H 1 2.54 0.02 . 1 . . . . . . . . 5792 1 646 . 1 1 59 59 PRO CG C 13 28.2 0.05 . 1 . . . . . . . . 5792 1 647 . 1 1 59 59 PRO HG2 H 1 1.90 0.02 . 1 . . . . . . . . 5792 1 648 . 1 1 59 59 PRO HG3 H 1 1.90 0.02 . 1 . . . . . . . . 5792 1 649 . 1 1 59 59 PRO HD2 H 1 3.68 0.02 . 1 . . . . . . . . 5792 1 650 . 1 1 59 59 PRO HD3 H 1 3.68 0.02 . 1 . . . . . . . . 5792 1 651 . 1 1 59 59 PRO C C 13 176.6 0.05 . 1 . . . . . . . . 5792 1 652 . 1 1 60 60 LEU N N 15 111.3 0.05 . 1 . . . . . . . . 5792 1 653 . 1 1 60 60 LEU H H 1 6.53 0.02 . 1 . . . . . . . . 5792 1 654 . 1 1 60 60 LEU CA C 13 52.9 0.05 . 1 . . . . . . . . 5792 1 655 . 1 1 60 60 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5792 1 656 . 1 1 60 60 LEU CB C 13 42.9 0.05 . 1 . . . . . . . . 5792 1 657 . 1 1 60 60 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5792 1 658 . 1 1 60 60 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5792 1 659 . 1 1 60 60 LEU CG C 13 25.9 0.05 . 1 . . . . . . . . 5792 1 660 . 1 1 60 60 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 5792 1 661 . 1 1 60 60 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 662 . 1 1 60 60 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 663 . 1 1 60 60 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 664 . 1 1 60 60 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 5792 1 665 . 1 1 60 60 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 5792 1 666 . 1 1 60 60 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 5792 1 667 . 1 1 60 60 LEU CD1 C 13 21.2 0.05 . 1 . . . . . . . . 5792 1 668 . 1 1 60 60 LEU CD2 C 13 21.7 0.05 . 1 . . . . . . . . 5792 1 669 . 1 1 60 60 LEU C C 13 176.0 0.05 . 1 . . . . . . . . 5792 1 670 . 1 1 61 61 HIS N N 15 115.4 0.05 . 1 . . . . . . . . 5792 1 671 . 1 1 61 61 HIS H H 1 7.76 0.02 . 1 . . . . . . . . 5792 1 672 . 1 1 61 61 HIS CA C 13 56.1 0.05 . 1 . . . . . . . . 5792 1 673 . 1 1 61 61 HIS HA H 1 2.54 0.02 . 1 . . . . . . . . 5792 1 674 . 1 1 61 61 HIS CB C 13 27.4 0.05 . 1 . . . . . . . . 5792 1 675 . 1 1 61 61 HIS HB2 H 1 3.32 0.02 . 1 . . . . . . . . 5792 1 676 . 1 1 61 61 HIS HB3 H 1 3.32 0.02 . 1 . . . . . . . . 5792 1 677 . 1 1 61 61 HIS CD2 C 13 117.7 0.05 . 1 . . . . . . . . 5792 1 678 . 1 1 61 61 HIS CE1 C 13 135.0 0.05 . 1 . . . . . . . . 5792 1 679 . 1 1 61 61 HIS HD2 H 1 6.83 0.02 . 1 . . . . . . . . 5792 1 680 . 1 1 61 61 HIS HE1 H 1 7.65 0.02 . 1 . . . . . . . . 5792 1 681 . 1 1 61 61 HIS C C 13 173.5 0.05 . 1 . . . . . . . . 5792 1 682 . 1 1 62 62 GLN N N 15 111.0 0.05 . 1 . . . . . . . . 5792 1 683 . 1 1 62 62 GLN H H 1 7.15 0.02 . 1 . . . . . . . . 5792 1 684 . 1 1 62 62 GLN CA C 13 54.2 0.05 . 1 . . . . . . . . 5792 1 685 . 1 1 62 62 GLN HA H 1 6.05 0.02 . 1 . . . . . . . . 5792 1 686 . 1 1 62 62 GLN CB C 13 35.7 0.05 . 1 . . . . . . . . 5792 1 687 . 1 1 62 62 GLN HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5792 1 688 . 1 1 62 62 GLN HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5792 1 689 . 1 1 62 62 GLN CG C 13 33.9 0.05 . 1 . . . . . . . . 5792 1 690 . 1 1 62 62 GLN HG2 H 1 2.68 0.02 . 1 . . . . . . . . 5792 1 691 . 1 1 62 62 GLN HG3 H 1 2.68 0.02 . 1 . . . . . . . . 5792 1 692 . 1 1 62 62 GLN NE2 N 15 114.0 0.05 . 1 . . . . . . . . 5792 1 693 . 1 1 62 62 GLN HE21 H 1 8.55 0.02 . 2 . . . . . . . . 5792 1 694 . 1 1 62 62 GLN HE22 H 1 6.78 0.02 . 2 . . . . . . . . 5792 1 695 . 1 1 62 62 GLN C C 13 176.1 0.05 . 1 . . . . . . . . 5792 1 696 . 1 1 63 63 VAL N N 15 119.0 0.05 . 1 . . . . . . . . 5792 1 697 . 1 1 63 63 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 5792 1 698 . 1 1 63 63 VAL CA C 13 61.5 0.05 . 1 . . . . . . . . 5792 1 699 . 1 1 63 63 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . 5792 1 700 . 1 1 63 63 VAL CB C 13 34.6 0.05 . 1 . . . . . . . . 5792 1 701 . 1 1 63 63 VAL HB H 1 1.31 0.02 . 1 . . . . . . . . 5792 1 702 . 1 1 63 63 VAL HG11 H 1 -0.01 0.02 . 2 . . . . . . . . 5792 1 703 . 1 1 63 63 VAL HG12 H 1 -0.01 0.02 . 2 . . . . . . . . 5792 1 704 . 1 1 63 63 VAL HG13 H 1 -0.01 0.02 . 2 . . . . . . . . 5792 1 705 . 1 1 63 63 VAL HG21 H 1 0.53 0.02 . 2 . . . . . . . . 5792 1 706 . 1 1 63 63 VAL HG22 H 1 0.53 0.02 . 2 . . . . . . . . 5792 1 707 . 1 1 63 63 VAL HG23 H 1 0.53 0.02 . 2 . . . . . . . . 5792 1 708 . 1 1 63 63 VAL CG2 C 13 20.6 0.05 . 1 . . . . . . . . 5792 1 709 . 1 1 63 63 VAL C C 13 174.8 0.05 . 1 . . . . . . . . 5792 1 710 . 1 1 64 64 TRP N N 15 129.8 0.05 . 1 . . . . . . . . 5792 1 711 . 1 1 64 64 TRP H H 1 9.65 0.02 . 1 . . . . . . . . 5792 1 712 . 1 1 64 64 TRP CA C 13 55.1 0.05 . 1 . . . . . . . . 5792 1 713 . 1 1 64 64 TRP HA H 1 6.08 0.02 . 1 . . . . . . . . 5792 1 714 . 1 1 64 64 TRP CB C 13 31.3 0.05 . 1 . . . . . . . . 5792 1 715 . 1 1 64 64 TRP HB2 H 1 3.60 0.02 . 1 . . . . . . . . 5792 1 716 . 1 1 64 64 TRP HB3 H 1 3.60 0.02 . 1 . . . . . . . . 5792 1 717 . 1 1 64 64 TRP CD1 C 13 121.0 0.05 . 1 . . . . . . . . 5792 1 718 . 1 1 64 64 TRP CE3 C 13 123.9 0.05 . 1 . . . . . . . . 5792 1 719 . 1 1 64 64 TRP NE1 N 15 129.6 0.05 . 1 . . . . . . . . 5792 1 720 . 1 1 64 64 TRP HD1 H 1 6.86 0.02 . 1 . . . . . . . . 5792 1 721 . 1 1 64 64 TRP HE3 H 1 6.93 0.02 . 1 . . . . . . . . 5792 1 722 . 1 1 64 64 TRP CZ3 C 13 120.1 0.05 . 1 . . . . . . . . 5792 1 723 . 1 1 64 64 TRP CZ2 C 13 115.4 0.05 . 1 . . . . . . . . 5792 1 724 . 1 1 64 64 TRP HE1 H 1 10.31 0.02 . 1 . . . . . . . . 5792 1 725 . 1 1 64 64 TRP HZ3 H 1 7.35 0.02 . 1 . . . . . . . . 5792 1 726 . 1 1 64 64 TRP HZ2 H 1 7.57 0.02 . 1 . . . . . . . . 5792 1 727 . 1 1 64 64 TRP C C 13 173.7 0.05 . 1 . . . . . . . . 5792 1 728 . 1 1 65 65 LEU N N 15 124.1 0.05 . 1 . . . . . . . . 5792 1 729 . 1 1 65 65 LEU H H 1 9.54 0.02 . 1 . . . . . . . . 5792 1 730 . 1 1 65 65 LEU CA C 13 53.6 0.05 . 1 . . . . . . . . 5792 1 731 . 1 1 65 65 LEU HA H 1 5.28 0.02 . 1 . . . . . . . . 5792 1 732 . 1 1 65 65 LEU CB C 13 48.9 0.05 . 1 . . . . . . . . 5792 1 733 . 1 1 65 65 LEU HB2 H 1 2.44 0.02 . 1 . . . . . . . . 5792 1 734 . 1 1 65 65 LEU HB3 H 1 2.44 0.02 . 1 . . . . . . . . 5792 1 735 . 1 1 65 65 LEU CG C 13 26.2 0.05 . 1 . . . . . . . . 5792 1 736 . 1 1 65 65 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5792 1 737 . 1 1 65 65 LEU HD11 H 1 0.56 0.02 . 2 . . . . . . . . 5792 1 738 . 1 1 65 65 LEU HD12 H 1 0.56 0.02 . 2 . . . . . . . . 5792 1 739 . 1 1 65 65 LEU HD13 H 1 0.56 0.02 . 2 . . . . . . . . 5792 1 740 . 1 1 65 65 LEU HD21 H 1 0.67 0.02 . 2 . . . . . . . . 5792 1 741 . 1 1 65 65 LEU HD22 H 1 0.67 0.02 . 2 . . . . . . . . 5792 1 742 . 1 1 65 65 LEU HD23 H 1 0.67 0.02 . 2 . . . . . . . . 5792 1 743 . 1 1 65 65 LEU CD1 C 13 24.7 0.05 . 1 . . . . . . . . 5792 1 744 . 1 1 65 65 LEU CD2 C 13 25.2 0.05 . 1 . . . . . . . . 5792 1 745 . 1 1 65 65 LEU C C 13 174.2 0.05 . 1 . . . . . . . . 5792 1 746 . 1 1 66 66 ALA N N 15 131.8 0.05 . 1 . . . . . . . . 5792 1 747 . 1 1 66 66 ALA H H 1 9.71 0.02 . 1 . . . . . . . . 5792 1 748 . 1 1 66 66 ALA CA C 13 51.9 0.05 . 1 . . . . . . . . 5792 1 749 . 1 1 66 66 ALA HA H 1 5.26 0.02 . 1 . . . . . . . . 5792 1 750 . 1 1 66 66 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5792 1 751 . 1 1 66 66 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5792 1 752 . 1 1 66 66 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5792 1 753 . 1 1 66 66 ALA CB C 13 20.3 0.05 . 1 . . . . . . . . 5792 1 754 . 1 1 66 66 ALA C C 13 176.2 0.05 . 1 . . . . . . . . 5792 1 755 . 1 1 67 67 THR N N 15 113.8 0.05 . 1 . . . . . . . . 5792 1 756 . 1 1 67 67 THR H H 1 8.45 0.02 . 1 . . . . . . . . 5792 1 757 . 1 1 67 67 THR CA C 13 59.1 0.05 . 1 . . . . . . . . 5792 1 758 . 1 1 67 67 THR HA H 1 5.14 0.02 . 1 . . . . . . . . 5792 1 759 . 1 1 67 67 THR CB C 13 71.7 0.05 . 1 . . . . . . . . 5792 1 760 . 1 1 67 67 THR HB H 1 4.75 0.02 . 1 . . . . . . . . 5792 1 761 . 1 1 67 67 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5792 1 762 . 1 1 67 67 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5792 1 763 . 1 1 67 67 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5792 1 764 . 1 1 67 67 THR CG2 C 13 20.2 0.05 . 1 . . . . . . . . 5792 1 765 . 1 1 67 67 THR C C 13 174.7 0.05 . 1 . . . . . . . . 5792 1 766 . 1 1 68 68 LYS N N 15 120.5 0.05 . 1 . . . . . . . . 5792 1 767 . 1 1 68 68 LYS H H 1 8.66 0.02 . 1 . . . . . . . . 5792 1 768 . 1 1 68 68 LYS CA C 13 59.1 0.05 . 1 . . . . . . . . 5792 1 769 . 1 1 68 68 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5792 1 770 . 1 1 68 68 LYS CB C 13 32.0 0.05 . 1 . . . . . . . . 5792 1 771 . 1 1 68 68 LYS HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 772 . 1 1 68 68 LYS HB3 H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 773 . 1 1 68 68 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 5792 1 774 . 1 1 68 68 LYS HG2 H 1 1.49 0.02 . 1 . . . . . . . . 5792 1 775 . 1 1 68 68 LYS HG3 H 1 1.49 0.02 . 1 . . . . . . . . 5792 1 776 . 1 1 68 68 LYS CD C 13 29.3 0.05 . 1 . . . . . . . . 5792 1 777 . 1 1 68 68 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5792 1 778 . 1 1 68 68 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5792 1 779 . 1 1 68 68 LYS CE C 13 42.3 0.05 . 1 . . . . . . . . 5792 1 780 . 1 1 68 68 LYS C C 13 177.5 0.05 . 1 . . . . . . . . 5792 1 781 . 1 1 69 69 GLN N N 15 114.6 0.05 . 1 . . . . . . . . 5792 1 782 . 1 1 69 69 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5792 1 783 . 1 1 69 69 GLN CA C 13 55.8 0.05 . 1 . . . . . . . . 5792 1 784 . 1 1 69 69 GLN HA H 1 4.39 0.02 . 1 . . . . . . . . 5792 1 785 . 1 1 69 69 GLN CB C 13 29.6 0.05 . 1 . . . . . . . . 5792 1 786 . 1 1 69 69 GLN HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5792 1 787 . 1 1 69 69 GLN HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5792 1 788 . 1 1 69 69 GLN CG C 13 34.0 0.05 . 1 . . . . . . . . 5792 1 789 . 1 1 69 69 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5792 1 790 . 1 1 69 69 GLN HG3 H 1 2.41 0.02 . 2 . . . . . . . . 5792 1 791 . 1 1 69 69 GLN NE2 N 15 111.3 0.05 . 1 . . . . . . . . 5792 1 792 . 1 1 69 69 GLN HE21 H 1 7.39 0.02 . 2 . . . . . . . . 5792 1 793 . 1 1 69 69 GLN HE22 H 1 6.74 0.02 . 2 . . . . . . . . 5792 1 794 . 1 1 69 69 GLN C C 13 175.6 0.05 . 1 . . . . . . . . 5792 1 795 . 1 1 70 70 GLY N N 15 107.8 0.05 . 1 . . . . . . . . 5792 1 796 . 1 1 70 70 GLY H H 1 7.39 0.02 . 1 . . . . . . . . 5792 1 797 . 1 1 70 70 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 5792 1 798 . 1 1 70 70 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 5792 1 799 . 1 1 70 70 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5792 1 800 . 1 1 70 70 GLY C C 13 171.9 0.05 . 1 . . . . . . . . 5792 1 801 . 1 1 71 71 GLY N N 15 108.0 0.05 . 1 . . . . . . . . 5792 1 802 . 1 1 71 71 GLY H H 1 7.85 0.02 . 1 . . . . . . . . 5792 1 803 . 1 1 71 71 GLY CA C 13 44.1 0.05 . 1 . . . . . . . . 5792 1 804 . 1 1 71 71 GLY HA2 H 1 5.09 0.02 . 2 . . . . . . . . 5792 1 805 . 1 1 71 71 GLY HA3 H 1 3.47 0.02 . 2 . . . . . . . . 5792 1 806 . 1 1 71 71 GLY C C 13 172.5 0.05 . 1 . . . . . . . . 5792 1 807 . 1 1 72 72 TYR N N 15 119.0 0.05 . 1 . . . . . . . . 5792 1 808 . 1 1 72 72 TYR H H 1 8.86 0.02 . 1 . . . . . . . . 5792 1 809 . 1 1 72 72 TYR CA C 13 56.8 0.05 . 1 . . . . . . . . 5792 1 810 . 1 1 72 72 TYR HA H 1 4.25 0.02 . 1 . . . . . . . . 5792 1 811 . 1 1 72 72 TYR CB C 13 43.4 0.05 . 1 . . . . . . . . 5792 1 812 . 1 1 72 72 TYR HB2 H 1 2.66 0.02 . 1 . . . . . . . . 5792 1 813 . 1 1 72 72 TYR HB3 H 1 2.66 0.02 . 1 . . . . . . . . 5792 1 814 . 1 1 72 72 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 5792 1 815 . 1 1 72 72 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 5792 1 816 . 1 1 72 72 TYR HE1 H 1 6.59 0.02 . 1 . . . . . . . . 5792 1 817 . 1 1 72 72 TYR HE2 H 1 6.59 0.02 . 1 . . . . . . . . 5792 1 818 . 1 1 72 72 TYR CD1 C 13 134.3 0.05 . 1 . . . . . . . . 5792 1 819 . 1 1 72 72 TYR CE1 C 13 118.1 0.05 . 1 . . . . . . . . 5792 1 820 . 1 1 72 72 TYR C C 13 173.6 0.05 . 1 . . . . . . . . 5792 1 821 . 1 1 73 73 HIS N N 15 124.9 0.05 . 1 . . . . . . . . 5792 1 822 . 1 1 73 73 HIS H H 1 9.82 0.02 . 1 . . . . . . . . 5792 1 823 . 1 1 73 73 HIS CA C 13 52.2 0.05 . 1 . . . . . . . . 5792 1 824 . 1 1 73 73 HIS HA H 1 5.15 0.02 . 1 . . . . . . . . 5792 1 825 . 1 1 73 73 HIS CB C 13 30.0 0.05 . 1 . . . . . . . . 5792 1 826 . 1 1 73 73 HIS HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5792 1 827 . 1 1 73 73 HIS HB3 H 1 3.28 0.02 . 2 . . . . . . . . 5792 1 828 . 1 1 73 73 HIS CD2 C 13 121.5 0.05 . 1 . . . . . . . . 5792 1 829 . 1 1 73 73 HIS CE1 C 13 137.1 0.05 . 1 . . . . . . . . 5792 1 830 . 1 1 73 73 HIS HD2 H 1 7.54 0.02 . 1 . . . . . . . . 5792 1 831 . 1 1 73 73 HIS HE1 H 1 8.10 0.02 . 1 . . . . . . . . 5792 1 832 . 1 1 73 73 HIS C C 13 172.7 0.05 . 1 . . . . . . . . 5792 1 833 . 1 1 74 74 PHE N N 15 119.3 0.05 . 1 . . . . . . . . 5792 1 834 . 1 1 74 74 PHE H H 1 9.48 0.02 . 1 . . . . . . . . 5792 1 835 . 1 1 74 74 PHE CA C 13 58.2 0.05 . 1 . . . . . . . . 5792 1 836 . 1 1 74 74 PHE HA H 1 5.19 0.02 . 1 . . . . . . . . 5792 1 837 . 1 1 74 74 PHE CB C 13 42.2 0.05 . 1 . . . . . . . . 5792 1 838 . 1 1 74 74 PHE HB2 H 1 3.44 0.02 . 2 . . . . . . . . 5792 1 839 . 1 1 74 74 PHE HB3 H 1 3.23 0.02 . 2 . . . . . . . . 5792 1 840 . 1 1 74 74 PHE HD1 H 1 7.40 0.02 . 1 . . . . . . . . 5792 1 841 . 1 1 74 74 PHE HD2 H 1 7.40 0.02 . 1 . . . . . . . . 5792 1 842 . 1 1 74 74 PHE HE1 H 1 7.30 0.02 . 1 . . . . . . . . 5792 1 843 . 1 1 74 74 PHE HE2 H 1 7.30 0.02 . 1 . . . . . . . . 5792 1 844 . 1 1 74 74 PHE CD1 C 13 131.8 0.05 . 1 . . . . . . . . 5792 1 845 . 1 1 74 74 PHE CE1 C 13 131.7 0.05 . 1 . . . . . . . . 5792 1 846 . 1 1 74 74 PHE CZ C 13 127.3 0.05 . 1 . . . . . . . . 5792 1 847 . 1 1 74 74 PHE HZ H 1 6.78 0.02 . 1 . . . . . . . . 5792 1 848 . 1 1 74 74 PHE C C 13 175.7 0.05 . 1 . . . . . . . . 5792 1 849 . 1 1 75 75 ASP N N 15 119.9 0.05 . 1 . . . . . . . . 5792 1 850 . 1 1 75 75 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5792 1 851 . 1 1 75 75 ASP CA C 13 53.7 0.05 . 1 . . . . . . . . 5792 1 852 . 1 1 75 75 ASP HA H 1 5.45 0.02 . 1 . . . . . . . . 5792 1 853 . 1 1 75 75 ASP CB C 13 38.9 0.05 . 1 . . . . . . . . 5792 1 854 . 1 1 75 75 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5792 1 855 . 1 1 75 75 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5792 1 856 . 1 1 75 75 ASP C C 13 175.7 0.05 . 1 . . . . . . . . 5792 1 857 . 1 1 76 76 LEU N N 15 121.6 0.05 . 1 . . . . . . . . 5792 1 858 . 1 1 76 76 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 5792 1 859 . 1 1 76 76 LEU CA C 13 55.3 0.05 . 1 . . . . . . . . 5792 1 860 . 1 1 76 76 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5792 1 861 . 1 1 76 76 LEU CB C 13 31.7 0.05 . 1 . . . . . . . . 5792 1 862 . 1 1 76 76 LEU HB2 H 1 1.05 0.02 . 2 . . . . . . . . 5792 1 863 . 1 1 76 76 LEU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5792 1 864 . 1 1 76 76 LEU CG C 13 30.2 0.05 . 1 . . . . . . . . 5792 1 865 . 1 1 76 76 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5792 1 866 . 1 1 76 76 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 867 . 1 1 76 76 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 868 . 1 1 76 76 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5792 1 869 . 1 1 76 76 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 870 . 1 1 76 76 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 871 . 1 1 76 76 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 5792 1 872 . 1 1 76 76 LEU CD1 C 13 24.8 0.05 . 1 . . . . . . . . 5792 1 873 . 1 1 76 76 LEU C C 13 175.7 0.05 . 1 . . . . . . . . 5792 1 874 . 1 1 77 77 LYS N N 15 129.7 0.05 . 1 . . . . . . . . 5792 1 875 . 1 1 77 77 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 5792 1 876 . 1 1 77 77 LYS CA C 13 54.9 0.05 . 1 . . . . . . . . 5792 1 877 . 1 1 77 77 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 5792 1 878 . 1 1 77 77 LYS CB C 13 33.3 0.05 . 1 . . . . . . . . 5792 1 879 . 1 1 77 77 LYS HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5792 1 880 . 1 1 77 77 LYS HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5792 1 881 . 1 1 77 77 LYS CG C 13 24.2 0.05 . 1 . . . . . . . . 5792 1 882 . 1 1 77 77 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 5792 1 883 . 1 1 77 77 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5792 1 884 . 1 1 77 77 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 5792 1 885 . 1 1 77 77 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 5792 1 886 . 1 1 77 77 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 5792 1 887 . 1 1 77 77 LYS CE C 13 42.3 0.05 . 1 . . . . . . . . 5792 1 888 . 1 1 77 77 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 5792 1 889 . 1 1 77 77 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 5792 1 890 . 1 1 77 77 LYS C C 13 176.2 0.05 . 1 . . . . . . . . 5792 1 891 . 1 1 78 78 GLY N N 15 116.8 0.05 . 1 . . . . . . . . 5792 1 892 . 1 1 78 78 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 5792 1 893 . 1 1 78 78 GLY CA C 13 47.8 0.05 . 1 . . . . . . . . 5792 1 894 . 1 1 78 78 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5792 1 895 . 1 1 78 78 GLY HA3 H 1 3.54 0.02 . 2 . . . . . . . . 5792 1 896 . 1 1 78 78 GLY C C 13 173.7 0.05 . 1 . . . . . . . . 5792 1 897 . 1 1 79 79 ASP N N 15 124.0 0.05 . 1 . . . . . . . . 5792 1 898 . 1 1 79 79 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 5792 1 899 . 1 1 79 79 ASP CA C 13 54.0 0.05 . 1 . . . . . . . . 5792 1 900 . 1 1 79 79 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5792 1 901 . 1 1 79 79 ASP CB C 13 40.9 0.05 . 1 . . . . . . . . 5792 1 902 . 1 1 79 79 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5792 1 903 . 1 1 79 79 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5792 1 904 . 1 1 79 79 ASP C C 13 174.9 0.05 . 1 . . . . . . . . 5792 1 905 . 1 1 80 80 GLU N N 15 118.7 0.05 . 1 . . . . . . . . 5792 1 906 . 1 1 80 80 GLU H H 1 7.61 0.02 . 1 . . . . . . . . 5792 1 907 . 1 1 80 80 GLU CA C 13 54.6 0.05 . 1 . . . . . . . . 5792 1 908 . 1 1 80 80 GLU HA H 1 4.76 0.02 . 1 . . . . . . . . 5792 1 909 . 1 1 80 80 GLU CB C 13 34.0 0.05 . 1 . . . . . . . . 5792 1 910 . 1 1 80 80 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5792 1 911 . 1 1 80 80 GLU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5792 1 912 . 1 1 80 80 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5792 1 913 . 1 1 80 80 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 5792 1 914 . 1 1 80 80 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5792 1 915 . 1 1 80 80 GLU C C 13 173.6 0.05 . 1 . . . . . . . . 5792 1 916 . 1 1 81 81 TRP N N 15 122.8 0.05 . 1 . . . . . . . . 5792 1 917 . 1 1 81 81 TRP H H 1 8.80 0.02 . 1 . . . . . . . . 5792 1 918 . 1 1 81 81 TRP CA C 13 55.6 0.05 . 1 . . . . . . . . 5792 1 919 . 1 1 81 81 TRP HA H 1 5.33 0.02 . 1 . . . . . . . . 5792 1 920 . 1 1 81 81 TRP CB C 13 30.6 0.05 . 1 . . . . . . . . 5792 1 921 . 1 1 81 81 TRP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5792 1 922 . 1 1 81 81 TRP HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5792 1 923 . 1 1 81 81 TRP CD1 C 13 127.5 0.05 . 1 . . . . . . . . 5792 1 924 . 1 1 81 81 TRP CE3 C 13 123.3 0.05 . 1 . . . . . . . . 5792 1 925 . 1 1 81 81 TRP NE1 N 15 127.9 0.05 . 1 . . . . . . . . 5792 1 926 . 1 1 81 81 TRP HD1 H 1 7.03 0.02 . 1 . . . . . . . . 5792 1 927 . 1 1 81 81 TRP HE3 H 1 7.59 0.02 . 1 . . . . . . . . 5792 1 928 . 1 1 81 81 TRP CZ3 C 13 120.5 0.05 . 1 . . . . . . . . 5792 1 929 . 1 1 81 81 TRP CZ2 C 13 114.6 0.05 . 1 . . . . . . . . 5792 1 930 . 1 1 81 81 TRP HE1 H 1 9.66 0.02 . 1 . . . . . . . . 5792 1 931 . 1 1 81 81 TRP HZ3 H 1 6.71 0.02 . 1 . . . . . . . . 5792 1 932 . 1 1 81 81 TRP CH2 C 13 124.9 0.05 . 1 . . . . . . . . 5792 1 933 . 1 1 81 81 TRP HZ2 H 1 7.42 0.02 . 1 . . . . . . . . 5792 1 934 . 1 1 81 81 TRP HH2 H 1 6.68 0.02 . 1 . . . . . . . . 5792 1 935 . 1 1 81 81 TRP C C 13 176.3 0.05 . 1 . . . . . . . . 5792 1 936 . 1 1 82 82 ILE N N 15 124.4 0.05 . 1 . . . . . . . . 5792 1 937 . 1 1 82 82 ILE H H 1 9.38 0.02 . 1 . . . . . . . . 5792 1 938 . 1 1 82 82 ILE CA C 13 58.3 0.05 . 1 . . . . . . . . 5792 1 939 . 1 1 82 82 ILE HA H 1 4.95 0.02 . 1 . . . . . . . . 5792 1 940 . 1 1 82 82 ILE CB C 13 40.7 0.05 . 1 . . . . . . . . 5792 1 941 . 1 1 82 82 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 5792 1 942 . 1 1 82 82 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5792 1 943 . 1 1 82 82 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5792 1 944 . 1 1 82 82 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5792 1 945 . 1 1 82 82 ILE CG2 C 13 17.0 0.05 . 1 . . . . . . . . 5792 1 946 . 1 1 82 82 ILE CG1 C 13 26.8 0.05 . 1 . . . . . . . . 5792 1 947 . 1 1 82 82 ILE HG13 H 1 1.42 0.02 . 2 . . . . . . . . 5792 1 948 . 1 1 82 82 ILE C C 13 176.2 0.05 . 1 . . . . . . . . 5792 1 949 . 1 1 83 83 CYS N N 15 134.4 0.05 . 1 . . . . . . . . 5792 1 950 . 1 1 83 83 CYS H H 1 9.45 0.02 . 1 . . . . . . . . 5792 1 951 . 1 1 83 83 CYS CA C 13 60.2 0.05 . 1 . . . . . . . . 5792 1 952 . 1 1 83 83 CYS HA H 1 3.84 0.02 . 1 . . . . . . . . 5792 1 953 . 1 1 83 83 CYS CB C 13 29.1 0.05 . 1 . . . . . . . . 5792 1 954 . 1 1 83 83 CYS HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5792 1 955 . 1 1 83 83 CYS HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5792 1 956 . 1 1 83 83 CYS C C 13 177.8 0.05 . 1 . . . . . . . . 5792 1 957 . 1 1 84 84 ASP N N 15 131.4 0.05 . 1 . . . . . . . . 5792 1 958 . 1 1 84 84 ASP H H 1 9.00 0.02 . 1 . . . . . . . . 5792 1 959 . 1 1 84 84 ASP CA C 13 55.4 0.05 . 1 . . . . . . . . 5792 1 960 . 1 1 84 84 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5792 1 961 . 1 1 84 84 ASP CB C 13 39.9 0.05 . 1 . . . . . . . . 5792 1 962 . 1 1 84 84 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5792 1 963 . 1 1 84 84 ASP HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5792 1 964 . 1 1 84 84 ASP C C 13 175.9 0.05 . 1 . . . . . . . . 5792 1 965 . 1 1 85 85 ARG N N 15 123.7 0.05 . 1 . . . . . . . . 5792 1 966 . 1 1 85 85 ARG H H 1 9.47 0.02 . 1 . . . . . . . . 5792 1 967 . 1 1 85 85 ARG CA C 13 57.1 0.05 . 1 . . . . . . . . 5792 1 968 . 1 1 85 85 ARG HA H 1 4.69 0.02 . 1 . . . . . . . . 5792 1 969 . 1 1 85 85 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 970 . 1 1 85 85 ARG HB3 H 1 1.74 0.02 . 1 . . . . . . . . 5792 1 971 . 1 1 85 85 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5792 1 972 . 1 1 85 85 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5792 1 973 . 1 1 86 86 SER CA C 13 59.2 0.05 . 1 . . . . . . . . 5792 1 974 . 1 1 86 86 SER CB C 13 67.2 0.05 . 1 . . . . . . . . 5792 1 975 . 1 1 86 86 SER C C 13 176.3 0.05 . 1 . . . . . . . . 5792 1 976 . 1 1 87 87 GLY N N 15 111.8 0.05 . 1 . . . . . . . . 5792 1 977 . 1 1 87 87 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 5792 1 978 . 1 1 87 87 GLY CA C 13 46.1 0.05 . 1 . . . . . . . . 5792 1 979 . 1 1 87 87 GLY HA2 H 1 4.21 0.02 . 2 . . . . . . . . 5792 1 980 . 1 1 87 87 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 5792 1 981 . 1 1 87 87 GLY C C 13 173.5 0.05 . 1 . . . . . . . . 5792 1 982 . 1 1 88 88 GLU N N 15 119.6 0.05 . 1 . . . . . . . . 5792 1 983 . 1 1 88 88 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 5792 1 984 . 1 1 88 88 GLU CA C 13 56.4 0.05 . 1 . . . . . . . . 5792 1 985 . 1 1 88 88 GLU HA H 1 4.48 0.02 . 1 . . . . . . . . 5792 1 986 . 1 1 88 88 GLU CB C 13 31.0 0.05 . 1 . . . . . . . . 5792 1 987 . 1 1 88 88 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5792 1 988 . 1 1 88 88 GLU HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5792 1 989 . 1 1 88 88 GLU CG C 13 36.6 0.05 . 1 . . . . . . . . 5792 1 990 . 1 1 88 88 GLU HG2 H 1 1.91 0.02 . 2 . . . . . . . . 5792 1 991 . 1 1 88 88 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 5792 1 992 . 1 1 88 88 GLU C C 13 176.1 0.05 . 1 . . . . . . . . 5792 1 993 . 1 1 89 89 THR N N 15 111.7 0.05 . 1 . . . . . . . . 5792 1 994 . 1 1 89 89 THR H H 1 9.32 0.02 . 1 . . . . . . . . 5792 1 995 . 1 1 89 89 THR CA C 13 61.4 0.05 . 1 . . . . . . . . 5792 1 996 . 1 1 89 89 THR HA H 1 5.24 0.02 . 1 . . . . . . . . 5792 1 997 . 1 1 89 89 THR CB C 13 71.7 0.05 . 1 . . . . . . . . 5792 1 998 . 1 1 89 89 THR HB H 1 4.80 0.02 . 1 . . . . . . . . 5792 1 999 . 1 1 89 89 THR HG21 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1000 . 1 1 89 89 THR HG22 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1001 . 1 1 89 89 THR HG23 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1002 . 1 1 89 89 THR C C 13 175.5 0.05 . 1 . . . . . . . . 5792 1 1003 . 1 1 90 90 PHE N N 15 120.5 0.05 . 1 . . . . . . . . 5792 1 1004 . 1 1 90 90 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5792 1 1005 . 1 1 90 90 PHE CA C 13 61.4 0.05 . 1 . . . . . . . . 5792 1 1006 . 1 1 90 90 PHE HA H 1 4.16 0.02 . 1 . . . . . . . . 5792 1 1007 . 1 1 90 90 PHE CB C 13 40.4 0.05 . 1 . . . . . . . . 5792 1 1008 . 1 1 90 90 PHE HB2 H 1 2.71 0.02 . 1 . . . . . . . . 5792 1 1009 . 1 1 90 90 PHE HB3 H 1 2.71 0.02 . 1 . . . . . . . . 5792 1 1010 . 1 1 90 90 PHE HD1 H 1 7.26 0.02 . 1 . . . . . . . . 5792 1 1011 . 1 1 90 90 PHE HD2 H 1 7.26 0.02 . 1 . . . . . . . . 5792 1 1012 . 1 1 90 90 PHE HE1 H 1 6.93 0.02 . 1 . . . . . . . . 5792 1 1013 . 1 1 90 90 PHE HE2 H 1 6.93 0.02 . 1 . . . . . . . . 5792 1 1014 . 1 1 90 90 PHE CD1 C 13 132.7 0.05 . 1 . . . . . . . . 5792 1 1015 . 1 1 90 90 PHE CE1 C 13 130.3 0.05 . 1 . . . . . . . . 5792 1 1016 . 1 1 90 90 PHE CZ C 13 122.3 0.05 . 1 . . . . . . . . 5792 1 1017 . 1 1 90 90 PHE HZ H 1 7.05 0.02 . 1 . . . . . . . . 5792 1 1018 . 1 1 90 90 PHE C C 13 175.7 0.05 . 1 . . . . . . . . 5792 1 1019 . 1 1 91 91 TRP N N 15 114.9 0.05 . 1 . . . . . . . . 5792 1 1020 . 1 1 91 91 TRP H H 1 7.28 0.02 . 1 . . . . . . . . 5792 1 1021 . 1 1 91 91 TRP CA C 13 59.4 0.05 . 1 . . . . . . . . 5792 1 1022 . 1 1 91 91 TRP HA H 1 4.20 0.02 . 1 . . . . . . . . 5792 1 1023 . 1 1 91 91 TRP CB C 13 29.2 0.05 . 1 . . . . . . . . 5792 1 1024 . 1 1 91 91 TRP HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5792 1 1025 . 1 1 91 91 TRP HB3 H 1 3.06 0.02 . 2 . . . . . . . . 5792 1 1026 . 1 1 91 91 TRP CD1 C 13 128.3 0.05 . 1 . . . . . . . . 5792 1 1027 . 1 1 91 91 TRP CE3 C 13 121.9 0.05 . 1 . . . . . . . . 5792 1 1028 . 1 1 91 91 TRP NE1 N 15 128.9 0.05 . 1 . . . . . . . . 5792 1 1029 . 1 1 91 91 TRP HD1 H 1 7.69 0.02 . 1 . . . . . . . . 5792 1 1030 . 1 1 91 91 TRP HE3 H 1 7.37 0.02 . 1 . . . . . . . . 5792 1 1031 . 1 1 91 91 TRP HE1 H 1 10.45 0.02 . 1 . . . . . . . . 5792 1 1032 . 1 1 91 91 TRP C C 13 178.2 0.05 . 1 . . . . . . . . 5792 1 1033 . 1 1 92 92 ASP N N 15 117.4 0.05 . 1 . . . . . . . . 5792 1 1034 . 1 1 92 92 ASP H H 1 7.57 0.02 . 1 . . . . . . . . 5792 1 1035 . 1 1 92 92 ASP CA C 13 57.8 0.05 . 1 . . . . . . . . 5792 1 1036 . 1 1 92 92 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 5792 1 1037 . 1 1 92 92 ASP CB C 13 39.7 0.05 . 1 . . . . . . . . 5792 1 1038 . 1 1 92 92 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5792 1 1039 . 1 1 92 92 ASP HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5792 1 1040 . 1 1 92 92 ASP C C 13 179.1 0.05 . 1 . . . . . . . . 5792 1 1041 . 1 1 93 93 LEU N N 15 120.1 0.05 . 1 . . . . . . . . 5792 1 1042 . 1 1 93 93 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5792 1 1043 . 1 1 93 93 LEU CA C 13 57.8 0.05 . 1 . . . . . . . . 5792 1 1044 . 1 1 93 93 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5792 1 1045 . 1 1 93 93 LEU CB C 13 41.6 0.05 . 1 . . . . . . . . 5792 1 1046 . 1 1 93 93 LEU HB2 H 1 0.65 0.02 . 2 . . . . . . . . 5792 1 1047 . 1 1 93 93 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5792 1 1048 . 1 1 93 93 LEU CG C 13 25.9 0.05 . 1 . . . . . . . . 5792 1 1049 . 1 1 93 93 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 5792 1 1050 . 1 1 93 93 LEU HD11 H 1 0.40 0.02 . 2 . . . . . . . . 5792 1 1051 . 1 1 93 93 LEU HD12 H 1 0.40 0.02 . 2 . . . . . . . . 5792 1 1052 . 1 1 93 93 LEU HD13 H 1 0.40 0.02 . 2 . . . . . . . . 5792 1 1053 . 1 1 93 93 LEU HD21 H 1 0.46 0.02 . 2 . . . . . . . . 5792 1 1054 . 1 1 93 93 LEU HD22 H 1 0.46 0.02 . 2 . . . . . . . . 5792 1 1055 . 1 1 93 93 LEU HD23 H 1 0.46 0.02 . 2 . . . . . . . . 5792 1 1056 . 1 1 93 93 LEU CD1 C 13 21.7 0.05 . 1 . . . . . . . . 5792 1 1057 . 1 1 93 93 LEU CD2 C 13 22.0 0.05 . 1 . . . . . . . . 5792 1 1058 . 1 1 93 93 LEU C C 13 179.6 0.05 . 1 . . . . . . . . 5792 1 1059 . 1 1 94 94 LEU N N 15 120.6 0.05 . 1 . . . . . . . . 5792 1 1060 . 1 1 94 94 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 5792 1 1061 . 1 1 94 94 LEU CA C 13 58.3 0.05 . 1 . . . . . . . . 5792 1 1062 . 1 1 94 94 LEU HA H 1 3.75 0.02 . 1 . . . . . . . . 5792 1 1063 . 1 1 94 94 LEU CB C 13 40.4 0.05 . 1 . . . . . . . . 5792 1 1064 . 1 1 94 94 LEU HB2 H 1 1.28 0.02 . 1 . . . . . . . . 5792 1 1065 . 1 1 94 94 LEU HB3 H 1 1.28 0.02 . 1 . . . . . . . . 5792 1 1066 . 1 1 94 94 LEU CG C 13 27.1 0.05 . 1 . . . . . . . . 5792 1 1067 . 1 1 94 94 LEU HG H 1 0.62 0.02 . 1 . . . . . . . . 5792 1 1068 . 1 1 94 94 LEU HD11 H 1 0.16 0.02 . 2 . . . . . . . . 5792 1 1069 . 1 1 94 94 LEU HD12 H 1 0.16 0.02 . 2 . . . . . . . . 5792 1 1070 . 1 1 94 94 LEU HD13 H 1 0.16 0.02 . 2 . . . . . . . . 5792 1 1071 . 1 1 94 94 LEU HD21 H 1 0.29 0.02 . 2 . . . . . . . . 5792 1 1072 . 1 1 94 94 LEU HD22 H 1 0.29 0.02 . 2 . . . . . . . . 5792 1 1073 . 1 1 94 94 LEU HD23 H 1 0.29 0.02 . 2 . . . . . . . . 5792 1 1074 . 1 1 94 94 LEU CD1 C 13 22.6 0.05 . 1 . . . . . . . . 5792 1 1075 . 1 1 94 94 LEU CD2 C 13 23.3 0.05 . 1 . . . . . . . . 5792 1 1076 . 1 1 94 94 LEU C C 13 178.4 0.05 . 1 . . . . . . . . 5792 1 1077 . 1 1 95 95 GLU N N 15 117.3 0.05 . 1 . . . . . . . . 5792 1 1078 . 1 1 95 95 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 5792 1 1079 . 1 1 95 95 GLU CA C 13 60.5 0.05 . 1 . . . . . . . . 5792 1 1080 . 1 1 95 95 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 5792 1 1081 . 1 1 95 95 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 5792 1 1082 . 1 1 95 95 GLU HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5792 1 1083 . 1 1 95 95 GLU HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5792 1 1084 . 1 1 95 95 GLU CG C 13 40.1 0.05 . 1 . . . . . . . . 5792 1 1085 . 1 1 95 95 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5792 1 1086 . 1 1 95 95 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5792 1 1087 . 1 1 95 95 GLU C C 13 180.2 0.05 . 1 . . . . . . . . 5792 1 1088 . 1 1 96 96 GLN N N 15 120.4 0.05 . 1 . . . . . . . . 5792 1 1089 . 1 1 96 96 GLN H H 1 8.04 0.02 . 1 . . . . . . . . 5792 1 1090 . 1 1 96 96 GLN CA C 13 59.5 0.05 . 1 . . . . . . . . 5792 1 1091 . 1 1 96 96 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 5792 1 1092 . 1 1 96 96 GLN CB C 13 30.4 0.05 . 1 . . . . . . . . 5792 1 1093 . 1 1 96 96 GLN HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5792 1 1094 . 1 1 96 96 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5792 1 1095 . 1 1 96 96 GLN CG C 13 34.1 0.05 . 1 . . . . . . . . 5792 1 1096 . 1 1 96 96 GLN HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5792 1 1097 . 1 1 96 96 GLN HG3 H 1 2.50 0.02 . 2 . . . . . . . . 5792 1 1098 . 1 1 96 96 GLN NE2 N 15 111.3 0.05 . 1 . . . . . . . . 5792 1 1099 . 1 1 96 96 GLN HE21 H 1 7.42 0.02 . 2 . . . . . . . . 5792 1 1100 . 1 1 96 96 GLN HE22 H 1 6.89 0.02 . 2 . . . . . . . . 5792 1 1101 . 1 1 96 96 GLN C C 13 178.4 0.05 . 1 . . . . . . . . 5792 1 1102 . 1 1 97 97 ALA N N 15 122.2 0.05 . 1 . . . . . . . . 5792 1 1103 . 1 1 97 97 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5792 1 1104 . 1 1 97 97 ALA CA C 13 55.0 0.05 . 1 . . . . . . . . 5792 1 1105 . 1 1 97 97 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 5792 1 1106 . 1 1 97 97 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 1107 . 1 1 97 97 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 1108 . 1 1 97 97 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 5792 1 1109 . 1 1 97 97 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 5792 1 1110 . 1 1 97 97 ALA C C 13 179.3 0.05 . 1 . . . . . . . . 5792 1 1111 . 1 1 98 98 ALA N N 15 119.7 0.05 . 1 . . . . . . . . 5792 1 1112 . 1 1 98 98 ALA H H 1 9.28 0.02 . 1 . . . . . . . . 5792 1 1113 . 1 1 98 98 ALA CA C 13 54.8 0.05 . 1 . . . . . . . . 5792 1 1114 . 1 1 98 98 ALA HA H 1 3.83 0.02 . 1 . . . . . . . . 5792 1 1115 . 1 1 98 98 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1116 . 1 1 98 98 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1117 . 1 1 98 98 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5792 1 1118 . 1 1 98 98 ALA CB C 13 17.4 0.05 . 1 . . . . . . . . 5792 1 1119 . 1 1 98 98 ALA C C 13 178.3 0.05 . 1 . . . . . . . . 5792 1 1120 . 1 1 99 99 THR N N 15 115.6 0.05 . 1 . . . . . . . . 5792 1 1121 . 1 1 99 99 THR H H 1 8.21 0.02 . 1 . . . . . . . . 5792 1 1122 . 1 1 99 99 THR CA C 13 65.5 0.05 . 1 . . . . . . . . 5792 1 1123 . 1 1 99 99 THR HA H 1 4.72 0.02 . 1 . . . . . . . . 5792 1 1124 . 1 1 99 99 THR CB C 13 69.6 0.05 . 1 . . . . . . . . 5792 1 1125 . 1 1 99 99 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 5792 1 1126 . 1 1 99 99 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1127 . 1 1 99 99 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1128 . 1 1 99 99 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1129 . 1 1 99 99 THR CG2 C 13 20.2 0.05 . 1 . . . . . . . . 5792 1 1130 . 1 1 99 99 THR C C 13 177.5 0.05 . 1 . . . . . . . . 5792 1 1131 . 1 1 100 100 GLN N N 15 121.0 0.05 . 1 . . . . . . . . 5792 1 1132 . 1 1 100 100 GLN H H 1 7.70 0.02 . 1 . . . . . . . . 5792 1 1133 . 1 1 100 100 GLN CA C 13 59.0 0.05 . 1 . . . . . . . . 5792 1 1134 . 1 1 100 100 GLN HA H 1 3.88 0.02 . 1 . . . . . . . . 5792 1 1135 . 1 1 100 100 GLN CB C 13 28.3 0.05 . 1 . . . . . . . . 5792 1 1136 . 1 1 100 100 GLN HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5792 1 1137 . 1 1 100 100 GLN HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5792 1 1138 . 1 1 100 100 GLN CG C 13 33.9 0.05 . 1 . . . . . . . . 5792 1 1139 . 1 1 100 100 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5792 1 1140 . 1 1 100 100 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5792 1 1141 . 1 1 100 100 GLN NE2 N 15 110.7 0.05 . 1 . . . . . . . . 5792 1 1142 . 1 1 100 100 GLN HE21 H 1 7.39 0.02 . 2 . . . . . . . . 5792 1 1143 . 1 1 100 100 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 5792 1 1144 . 1 1 100 100 GLN C C 13 178.6 0.05 . 1 . . . . . . . . 5792 1 1145 . 1 1 101 101 GLN N N 15 116.5 0.05 . 1 . . . . . . . . 5792 1 1146 . 1 1 101 101 GLN H H 1 7.93 0.02 . 1 . . . . . . . . 5792 1 1147 . 1 1 101 101 GLN CA C 13 58.7 0.05 . 1 . . . . . . . . 5792 1 1148 . 1 1 101 101 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 5792 1 1149 . 1 1 101 101 GLN CB C 13 27.7 0.05 . 1 . . . . . . . . 5792 1 1150 . 1 1 101 101 GLN HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5792 1 1151 . 1 1 101 101 GLN HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5792 1 1152 . 1 1 101 101 GLN CG C 13 36.7 0.05 . 1 . . . . . . . . 5792 1 1153 . 1 1 101 101 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5792 1 1154 . 1 1 101 101 GLN HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5792 1 1155 . 1 1 101 101 GLN NE2 N 15 107.2 0.05 . 1 . . . . . . . . 5792 1 1156 . 1 1 101 101 GLN HE21 H 1 7.09 0.02 . 2 . . . . . . . . 5792 1 1157 . 1 1 101 101 GLN HE22 H 1 6.55 0.02 . 2 . . . . . . . . 5792 1 1158 . 1 1 101 101 GLN C C 13 176.5 0.05 . 1 . . . . . . . . 5792 1 1159 . 1 1 102 102 ALA N N 15 118.9 0.05 . 1 . . . . . . . . 5792 1 1160 . 1 1 102 102 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 5792 1 1161 . 1 1 102 102 ALA CA C 13 53.3 0.05 . 1 . . . . . . . . 5792 1 1162 . 1 1 102 102 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 5792 1 1163 . 1 1 102 102 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 5792 1 1164 . 1 1 102 102 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 5792 1 1165 . 1 1 102 102 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 5792 1 1166 . 1 1 102 102 ALA CB C 13 19.6 0.05 . 1 . . . . . . . . 5792 1 1167 . 1 1 102 102 ALA C C 13 178.9 0.05 . 1 . . . . . . . . 5792 1 1168 . 1 1 103 103 GLY N N 15 103.9 0.05 . 1 . . . . . . . . 5792 1 1169 . 1 1 103 103 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 5792 1 1170 . 1 1 103 103 GLY CA C 13 45.6 0.05 . 1 . . . . . . . . 5792 1 1171 . 1 1 103 103 GLY HA2 H 1 4.06 0.02 . 2 . . . . . . . . 5792 1 1172 . 1 1 103 103 GLY HA3 H 1 3.73 0.02 . 2 . . . . . . . . 5792 1 1173 . 1 1 103 103 GLY C C 13 173.1 0.05 . 1 . . . . . . . . 5792 1 1174 . 1 1 104 104 GLU N N 15 115.1 0.05 . 1 . . . . . . . . 5792 1 1175 . 1 1 104 104 GLU H H 1 7.72 0.02 . 1 . . . . . . . . 5792 1 1176 . 1 1 104 104 GLU CA C 13 53.9 0.05 . 1 . . . . . . . . 5792 1 1177 . 1 1 104 104 GLU HA H 1 4.68 0.02 . 1 . . . . . . . . 5792 1 1178 . 1 1 104 104 GLU CB C 13 32.3 0.05 . 1 . . . . . . . . 5792 1 1179 . 1 1 104 104 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 5792 1 1180 . 1 1 104 104 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 5792 1 1181 . 1 1 104 104 GLU CG C 13 35.2 0.05 . 1 . . . . . . . . 5792 1 1182 . 1 1 104 104 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . 5792 1 1183 . 1 1 104 104 GLU HG3 H 1 2.11 0.02 . 1 . . . . . . . . 5792 1 1184 . 1 1 104 104 GLU C C 13 173.1 0.05 . 1 . . . . . . . . 5792 1 1185 . 1 1 105 105 THR N N 15 115.0 0.05 . 1 . . . . . . . . 5792 1 1186 . 1 1 105 105 THR H H 1 8.42 0.02 . 1 . . . . . . . . 5792 1 1187 . 1 1 105 105 THR CA C 13 65.2 0.05 . 1 . . . . . . . . 5792 1 1188 . 1 1 105 105 THR HA H 1 3.92 0.02 . 1 . . . . . . . . 5792 1 1189 . 1 1 105 105 THR CB C 13 69.4 0.05 . 1 . . . . . . . . 5792 1 1190 . 1 1 105 105 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 5792 1 1191 . 1 1 105 105 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1192 . 1 1 105 105 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1193 . 1 1 105 105 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 5792 1 1194 . 1 1 105 105 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 5792 1 1195 . 1 1 105 105 THR C C 13 174.6 0.05 . 1 . . . . . . . . 5792 1 1196 . 1 1 106 106 VAL N N 15 130.4 0.05 . 1 . . . . . . . . 5792 1 1197 . 1 1 106 106 VAL H H 1 8.34 0.02 . 1 . . . . . . . . 5792 1 1198 . 1 1 106 106 VAL CA C 13 61.9 0.05 . 1 . . . . . . . . 5792 1 1199 . 1 1 106 106 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 5792 1 1200 . 1 1 106 106 VAL CB C 13 32.9 0.05 . 1 . . . . . . . . 5792 1 1201 . 1 1 106 106 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 5792 1 1202 . 1 1 106 106 VAL HG11 H 1 0.10 0.02 . 2 . . . . . . . . 5792 1 1203 . 1 1 106 106 VAL HG12 H 1 0.10 0.02 . 2 . . . . . . . . 5792 1 1204 . 1 1 106 106 VAL HG13 H 1 0.10 0.02 . 2 . . . . . . . . 5792 1 1205 . 1 1 106 106 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 5792 1 1206 . 1 1 106 106 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 5792 1 1207 . 1 1 106 106 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 5792 1 1208 . 1 1 106 106 VAL CG1 C 13 20.1 0.05 . 1 . . . . . . . . 5792 1 1209 . 1 1 106 106 VAL C C 13 173.7 0.05 . 1 . . . . . . . . 5792 1 1210 . 1 1 107 107 SER N N 15 118.2 0.05 . 1 . . . . . . . . 5792 1 1211 . 1 1 107 107 SER H H 1 7.76 0.02 . 1 . . . . . . . . 5792 1 1212 . 1 1 107 107 SER CA C 13 56.0 0.05 . 1 . . . . . . . . 5792 1 1213 . 1 1 107 107 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 5792 1 1214 . 1 1 107 107 SER CB C 13 65.0 0.05 . 1 . . . . . . . . 5792 1 1215 . 1 1 107 107 SER HB2 H 1 3.62 0.02 . 1 . . . . . . . . 5792 1 1216 . 1 1 107 107 SER HB3 H 1 3.62 0.02 . 1 . . . . . . . . 5792 1 1217 . 1 1 107 107 SER C C 13 174.4 0.05 . 1 . . . . . . . . 5792 1 1218 . 1 1 108 108 PHE N N 15 124.1 0.05 . 1 . . . . . . . . 5792 1 1219 . 1 1 108 108 PHE H H 1 9.68 0.02 . 1 . . . . . . . . 5792 1 1220 . 1 1 108 108 PHE CA C 13 58.4 0.05 . 1 . . . . . . . . 5792 1 1221 . 1 1 108 108 PHE HA H 1 4.45 0.02 . 1 . . . . . . . . 5792 1 1222 . 1 1 108 108 PHE CB C 13 41.7 0.05 . 1 . . . . . . . . 5792 1 1223 . 1 1 108 108 PHE HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5792 1 1224 . 1 1 108 108 PHE HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5792 1 1225 . 1 1 108 108 PHE HD1 H 1 7.30 0.02 . 1 . . . . . . . . 5792 1 1226 . 1 1 108 108 PHE HD2 H 1 7.30 0.02 . 1 . . . . . . . . 5792 1 1227 . 1 1 108 108 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 5792 1 1228 . 1 1 108 108 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 5792 1 1229 . 1 1 108 108 PHE CD1 C 13 131.3 0.05 . 1 . . . . . . . . 5792 1 1230 . 1 1 108 108 PHE CE1 C 13 130.3 0.05 . 1 . . . . . . . . 5792 1 1231 . 1 1 108 108 PHE CZ C 13 132.1 0.05 . 1 . . . . . . . . 5792 1 1232 . 1 1 108 108 PHE HZ H 1 6.74 0.02 . 1 . . . . . . . . 5792 1 1233 . 1 1 108 108 PHE C C 13 173.8 0.05 . 1 . . . . . . . . 5792 1 1234 . 1 1 109 109 ARG N N 15 125.3 0.05 . 1 . . . . . . . . 5792 1 1235 . 1 1 109 109 ARG H H 1 7.54 0.02 . 1 . . . . . . . . 5792 1 1236 . 1 1 109 109 ARG CA C 13 57.2 0.05 . 1 . . . . . . . . 5792 1 1237 . 1 1 109 109 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5792 1 1238 . 1 1 109 109 ARG HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5792 1 1239 . 1 1 109 109 ARG HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5792 1 1240 . 1 1 109 109 ARG HG2 H 1 1.36 0.02 . 2 . . . . . . . . 5792 1 1241 . 1 1 109 109 ARG HG3 H 1 1.17 0.02 . 2 . . . . . . . . 5792 1 stop_ save_